data_52323 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52323 _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 399-598' _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 52323 2 Carlos Elena-Real . A. . 0000-0001-8244-5676 52323 3 Ida Vedel . M. . 0000-0002-3465-4796 52323 4 Maud Tengo . . . . 52323 5 Kathrin Motzny . . . . 52323 6 Pin-Lian Jiang . . . . 52323 7 Peter Schmieder . . . 0000-0001-9968-9327 52323 8 Fan Liu . . . 0000-0002-2358-549X 52323 9 Sigrid Milles . . . 0000-0001-9362-9606 52323 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.' . 52323 2 . 'Milles group; Leibniz Research Institute for Molecular Pharmacology, Berlin, Germany' . 52323 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52323 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 415 52323 '15N chemical shifts' 142 52323 '1H chemical shifts' 143 52323 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' 52323 1 . . 2024-06-25 2024-02-16 original author 'original release' 52323 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' 52323 BMRB 52322 'Monomeric clathrin assembly protein AP180, residues 281-500' 52323 BMRB 52324 'Monomeric clathrin assembly protein AP180, residues 471-700' 52323 BMRB 52325 'Monomeric clathrin assembly protein AP180, residues 540-740' 52323 BMRB 52326 'Monomeric clathrin assembly protein AP180, residues 720-898' 52323 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52323 _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 . . . . 52323 1 2 Carlos Elena-Real . A. . . 52323 1 3 Ida Vedel . M. . . 52323 1 4 Maud Tengo . . . . 52323 1 5 Kathrin Motzny . . . . 52323 1 6 Pin-Lian Jiang . . . . 52323 1 7 Peter Schmieder . . . . 52323 1 8 Fan Liu . . . . 52323 1 9 Sigrid Milles . . . . 52323 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Clathrin Mediated Endocytosis' 52323 1 'Intrinsically Disordered Proteins' 52323 1 'Nuclear Magnetic Resonance' 52323 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52323 _Assembly.ID 1 _Assembly.Name 'AP180 399-598' _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 59819.27 _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 399-598' 1 $entity_1 . . yes native no no . . . 52323 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52323 _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 ; SDPFAPEPSPPTTTTEPASA SASATTAVTAATTEVDLFGD AFAASPGEAPAASEGATAPA TPAPVAAALDACSGNDPFAP SEGSAEAAPELDLFAMKPPE TSAPVVTPTASTAPPVPATA PSPAPTAVAATAAATTTTTA AAATTTATTSAAAAATAAAP PALDIFGDLFDSAPEVAAAS KPDVAPSIDLFGTDAFSSPP R ; _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 'AP180 399-598' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18977.69 _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'clathrin-mediated endocytosis' 52323 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 52323 1 2 . ASP . 52323 1 3 . PRO . 52323 1 4 . PHE . 52323 1 5 . ALA . 52323 1 6 . PRO . 52323 1 7 . GLU . 52323 1 8 . PRO . 52323 1 9 . SER . 52323 1 10 . PRO . 52323 1 11 . PRO . 52323 1 12 . THR . 52323 1 13 . THR . 52323 1 14 . THR . 52323 1 15 . THR . 52323 1 16 . GLU . 52323 1 17 . PRO . 52323 1 18 . ALA . 52323 1 19 . SER . 52323 1 20 . ALA . 52323 1 21 . SER . 52323 1 22 . ALA . 52323 1 23 . SER . 52323 1 24 . ALA . 52323 1 25 . THR . 52323 1 26 . THR . 52323 1 27 . ALA . 52323 1 28 . VAL . 52323 1 29 . THR . 52323 1 30 . ALA . 52323 1 31 . ALA . 52323 1 32 . THR . 52323 1 33 . THR . 52323 1 34 . GLU . 52323 1 35 . VAL . 52323 1 36 . ASP . 52323 1 37 . LEU . 52323 1 38 . PHE . 52323 1 39 . GLY . 52323 1 40 . ASP . 52323 1 41 . ALA . 52323 1 42 . PHE . 52323 1 43 . ALA . 52323 1 44 . ALA . 52323 1 45 . SER . 52323 1 46 . PRO . 52323 1 47 . GLY . 52323 1 48 . GLU . 52323 1 49 . ALA . 52323 1 50 . PRO . 52323 1 51 . ALA . 52323 1 52 . ALA . 52323 1 53 . SER . 52323 1 54 . GLU . 52323 1 55 . GLY . 52323 1 56 . ALA . 52323 1 57 . THR . 52323 1 58 . ALA . 52323 1 59 . PRO . 52323 1 60 . ALA . 52323 1 61 . THR . 52323 1 62 . PRO . 52323 1 63 . ALA . 52323 1 64 . PRO . 52323 1 65 . VAL . 52323 1 66 . ALA . 52323 1 67 . ALA . 52323 1 68 . ALA . 52323 1 69 . LEU . 52323 1 70 . ASP . 52323 1 71 . ALA . 52323 1 72 . CYS . 52323 1 73 . SER . 52323 1 74 . GLY . 52323 1 75 . ASN . 52323 1 76 . ASP . 52323 1 77 . PRO . 52323 1 78 . PHE . 52323 1 79 . ALA . 52323 1 80 . PRO . 52323 1 81 . SER . 52323 1 82 . GLU . 52323 1 83 . GLY . 52323 1 84 . SER . 52323 1 85 . ALA . 52323 1 86 . GLU . 52323 1 87 . ALA . 52323 1 88 . ALA . 52323 1 89 . PRO . 52323 1 90 . GLU . 52323 1 91 . LEU . 52323 1 92 . ASP . 52323 1 93 . LEU . 52323 1 94 . PHE . 52323 1 95 . ALA . 52323 1 96 . MET . 52323 1 97 . LYS . 52323 1 98 . PRO . 52323 1 99 . PRO . 52323 1 100 . GLU . 52323 1 101 . THR . 52323 1 102 . SER . 52323 1 103 . ALA . 52323 1 104 . PRO . 52323 1 105 . VAL . 52323 1 106 . VAL . 52323 1 107 . THR . 52323 1 108 . PRO . 52323 1 109 . THR . 52323 1 110 . ALA . 52323 1 111 . SER . 52323 1 112 . THR . 52323 1 113 . ALA . 52323 1 114 . PRO . 52323 1 115 . PRO . 52323 1 116 . VAL . 52323 1 117 . PRO . 52323 1 118 . ALA . 52323 1 119 . THR . 52323 1 120 . ALA . 52323 1 121 . PRO . 52323 1 122 . SER . 52323 1 123 . PRO . 52323 1 124 . ALA . 52323 1 125 . PRO . 52323 1 126 . THR . 52323 1 127 . ALA . 52323 1 128 . VAL . 52323 1 129 . ALA . 52323 1 130 . ALA . 52323 1 131 . THR . 52323 1 132 . ALA . 52323 1 133 . ALA . 52323 1 134 . ALA . 52323 1 135 . THR . 52323 1 136 . THR . 52323 1 137 . THR . 52323 1 138 . THR . 52323 1 139 . THR . 52323 1 140 . ALA . 52323 1 141 . ALA . 52323 1 142 . ALA . 52323 1 143 . ALA . 52323 1 144 . THR . 52323 1 145 . THR . 52323 1 146 . THR . 52323 1 147 . ALA . 52323 1 148 . THR . 52323 1 149 . THR . 52323 1 150 . SER . 52323 1 151 . ALA . 52323 1 152 . ALA . 52323 1 153 . ALA . 52323 1 154 . ALA . 52323 1 155 . ALA . 52323 1 156 . THR . 52323 1 157 . ALA . 52323 1 158 . ALA . 52323 1 159 . ALA . 52323 1 160 . PRO . 52323 1 161 . PRO . 52323 1 162 . ALA . 52323 1 163 . LEU . 52323 1 164 . ASP . 52323 1 165 . ILE . 52323 1 166 . PHE . 52323 1 167 . GLY . 52323 1 168 . ASP . 52323 1 169 . LEU . 52323 1 170 . PHE . 52323 1 171 . ASP . 52323 1 172 . SER . 52323 1 173 . ALA . 52323 1 174 . PRO . 52323 1 175 . GLU . 52323 1 176 . VAL . 52323 1 177 . ALA . 52323 1 178 . ALA . 52323 1 179 . ALA . 52323 1 180 . SER . 52323 1 181 . LYS . 52323 1 182 . PRO . 52323 1 183 . ASP . 52323 1 184 . VAL . 52323 1 185 . ALA . 52323 1 186 . PRO . 52323 1 187 . SER . 52323 1 188 . ILE . 52323 1 189 . ASP . 52323 1 190 . LEU . 52323 1 191 . PHE . 52323 1 192 . GLY . 52323 1 193 . THR . 52323 1 194 . ASP . 52323 1 195 . ALA . 52323 1 196 . PHE . 52323 1 197 . SER . 52323 1 198 . SER . 52323 1 199 . PRO . 52323 1 200 . PRO . 52323 1 201 . ARG . 52323 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 . SER 1 1 52323 1 . ASP 2 2 52323 1 . PRO 3 3 52323 1 . PHE 4 4 52323 1 . ALA 5 5 52323 1 . PRO 6 6 52323 1 . GLU 7 7 52323 1 . PRO 8 8 52323 1 . SER 9 9 52323 1 . PRO 10 10 52323 1 . PRO 11 11 52323 1 . THR 12 12 52323 1 . THR 13 13 52323 1 . THR 14 14 52323 1 . THR 15 15 52323 1 . GLU 16 16 52323 1 . PRO 17 17 52323 1 . ALA 18 18 52323 1 . SER 19 19 52323 1 . ALA 20 20 52323 1 . SER 21 21 52323 1 . ALA 22 22 52323 1 . SER 23 23 52323 1 . ALA 24 24 52323 1 . THR 25 25 52323 1 . THR 26 26 52323 1 . ALA 27 27 52323 1 . VAL 28 28 52323 1 . THR 29 29 52323 1 . ALA 30 30 52323 1 . ALA 31 31 52323 1 . THR 32 32 52323 1 . THR 33 33 52323 1 . GLU 34 34 52323 1 . VAL 35 35 52323 1 . ASP 36 36 52323 1 . LEU 37 37 52323 1 . PHE 38 38 52323 1 . GLY 39 39 52323 1 . ASP 40 40 52323 1 . ALA 41 41 52323 1 . PHE 42 42 52323 1 . ALA 43 43 52323 1 . ALA 44 44 52323 1 . SER 45 45 52323 1 . PRO 46 46 52323 1 . GLY 47 47 52323 1 . GLU 48 48 52323 1 . ALA 49 49 52323 1 . PRO 50 50 52323 1 . ALA 51 51 52323 1 . ALA 52 52 52323 1 . SER 53 53 52323 1 . GLU 54 54 52323 1 . GLY 55 55 52323 1 . ALA 56 56 52323 1 . THR 57 57 52323 1 . ALA 58 58 52323 1 . PRO 59 59 52323 1 . ALA 60 60 52323 1 . THR 61 61 52323 1 . PRO 62 62 52323 1 . ALA 63 63 52323 1 . PRO 64 64 52323 1 . VAL 65 65 52323 1 . ALA 66 66 52323 1 . ALA 67 67 52323 1 . ALA 68 68 52323 1 . LEU 69 69 52323 1 . ASP 70 70 52323 1 . ALA 71 71 52323 1 . CYS 72 72 52323 1 . SER 73 73 52323 1 . GLY 74 74 52323 1 . ASN 75 75 52323 1 . ASP 76 76 52323 1 . PRO 77 77 52323 1 . PHE 78 78 52323 1 . ALA 79 79 52323 1 . PRO 80 80 52323 1 . SER 81 81 52323 1 . GLU 82 82 52323 1 . GLY 83 83 52323 1 . SER 84 84 52323 1 . ALA 85 85 52323 1 . GLU 86 86 52323 1 . ALA 87 87 52323 1 . ALA 88 88 52323 1 . PRO 89 89 52323 1 . GLU 90 90 52323 1 . LEU 91 91 52323 1 . ASP 92 92 52323 1 . LEU 93 93 52323 1 . PHE 94 94 52323 1 . ALA 95 95 52323 1 . MET 96 96 52323 1 . LYS 97 97 52323 1 . PRO 98 98 52323 1 . PRO 99 99 52323 1 . GLU 100 100 52323 1 . THR 101 101 52323 1 . SER 102 102 52323 1 . ALA 103 103 52323 1 . PRO 104 104 52323 1 . VAL 105 105 52323 1 . VAL 106 106 52323 1 . THR 107 107 52323 1 . PRO 108 108 52323 1 . THR 109 109 52323 1 . ALA 110 110 52323 1 . SER 111 111 52323 1 . THR 112 112 52323 1 . ALA 113 113 52323 1 . PRO 114 114 52323 1 . PRO 115 115 52323 1 . VAL 116 116 52323 1 . PRO 117 117 52323 1 . ALA 118 118 52323 1 . THR 119 119 52323 1 . ALA 120 120 52323 1 . PRO 121 121 52323 1 . SER 122 122 52323 1 . PRO 123 123 52323 1 . ALA 124 124 52323 1 . PRO 125 125 52323 1 . THR 126 126 52323 1 . ALA 127 127 52323 1 . VAL 128 128 52323 1 . ALA 129 129 52323 1 . ALA 130 130 52323 1 . THR 131 131 52323 1 . ALA 132 132 52323 1 . ALA 133 133 52323 1 . ALA 134 134 52323 1 . THR 135 135 52323 1 . THR 136 136 52323 1 . THR 137 137 52323 1 . THR 138 138 52323 1 . THR 139 139 52323 1 . ALA 140 140 52323 1 . ALA 141 141 52323 1 . ALA 142 142 52323 1 . ALA 143 143 52323 1 . THR 144 144 52323 1 . THR 145 145 52323 1 . THR 146 146 52323 1 . ALA 147 147 52323 1 . THR 148 148 52323 1 . THR 149 149 52323 1 . SER 150 150 52323 1 . ALA 151 151 52323 1 . ALA 152 152 52323 1 . ALA 153 153 52323 1 . ALA 154 154 52323 1 . ALA 155 155 52323 1 . THR 156 156 52323 1 . ALA 157 157 52323 1 . ALA 158 158 52323 1 . ALA 159 159 52323 1 . PRO 160 160 52323 1 . PRO 161 161 52323 1 . ALA 162 162 52323 1 . LEU 163 163 52323 1 . ASP 164 164 52323 1 . ILE 165 165 52323 1 . PHE 166 166 52323 1 . GLY 167 167 52323 1 . ASP 168 168 52323 1 . LEU 169 169 52323 1 . PHE 170 170 52323 1 . ASP 171 171 52323 1 . SER 172 172 52323 1 . ALA 173 173 52323 1 . PRO 174 174 52323 1 . GLU 175 175 52323 1 . VAL 176 176 52323 1 . ALA 177 177 52323 1 . ALA 178 178 52323 1 . ALA 179 179 52323 1 . SER 180 180 52323 1 . LYS 181 181 52323 1 . PRO 182 182 52323 1 . ASP 183 183 52323 1 . VAL 184 184 52323 1 . ALA 185 185 52323 1 . PRO 186 186 52323 1 . SER 187 187 52323 1 . ILE 188 188 52323 1 . ASP 189 189 52323 1 . LEU 190 190 52323 1 . PHE 191 191 52323 1 . GLY 192 192 52323 1 . THR 193 193 52323 1 . ASP 194 194 52323 1 . ALA 195 195 52323 1 . PHE 196 196 52323 1 . SER 197 197 52323 1 . SER 198 198 52323 1 . PRO 199 199 52323 1 . PRO 200 200 52323 1 . ARG 201 201 52323 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 52323 _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 . . . . . . . . . . . . . 52323 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 52323 _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 . . . 52323 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52323 _Sample.ID 1 _Sample.Name 'AP180 399-598' _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 399-598' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 100 . . uM . . . . 52323 1 2 Na-phosphate 'natural abundance' . . . . . . 50 . . mM . . . . 52323 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 52323 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 52323 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 52323 _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 52323 1 pH 6 . pH 52323 1 pressure 1 . atm 52323 1 temperature 298.15 . K 52323 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52323 _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' . 52323 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 52323 _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 52323 _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 . . . . . . . . . . . . . . . . . 52323 1 2 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52323 1 3 '3D HN(CA)CO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52323 1 4 '3D iHNCA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52323 1 5 '3D HN(CO)CA' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52323 1 6 '3D iHNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'optimized CB transfer' 52323 1 7 '3D HN(CO)CACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 'optimized CB transfer' 52323 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 52323 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name '1H-15N-13C AP180 399-598' _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 . . . . . 52323 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 52323 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 52323 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 52323 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AP180 399-598' _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' . . . 52323 1 2 '3D HNCO' . . . 52323 1 3 '3D HN(CA)CO' . . . 52323 1 4 '3D iHNCA' . . . 52323 1 5 '3D HN(CO)CA' . . . 52323 1 6 '3D iHNCACB' . . . 52323 1 7 '3D HN(CO)CACB' . . . 52323 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 . . 52323 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 1 1 SER H H 1 8.372 . . . . . . . . 1 S HN . 52323 1 2 . 1 . 1 1 1 SER C C 13 173.789 . . . . . . . . 1 S CO . 52323 1 3 . 1 . 1 1 1 SER CA C 13 57.066 . . . . . . . . 1 S CA . 52323 1 4 . 1 . 1 1 1 SER CB C 13 64.161 . . . . . . . . 1 S CB . 52323 1 5 . 1 . 1 1 1 SER N N 15 117.262 . . . . . . . . 1 S N . 52323 1 6 . 1 . 1 4 4 PHE H H 1 8.226 . . . . . . . . 4 F HN . 52323 1 7 . 1 . 1 4 4 PHE C C 13 175.383 . . . . . . . . 4 F CO . 52323 1 8 . 1 . 1 4 4 PHE CA C 13 57.370 . . . . . . . . 4 F CA . 52323 1 9 . 1 . 1 4 4 PHE CB C 13 39.305 . . . . . . . . 4 F CB . 52323 1 10 . 1 . 1 4 4 PHE N N 15 118.693 . . . . . . . . 4 F N . 52323 1 11 . 1 . 1 5 5 ALA H H 1 7.771 . . . . . . . . 5 A HN . 52323 1 12 . 1 . 1 5 5 ALA C C 13 175.051 . . . . . . . . 5 A CO . 52323 1 13 . 1 . 1 5 5 ALA CA C 13 50.444 . . . . . . . . 5 A CA . 52323 1 14 . 1 . 1 5 5 ALA CB C 13 18.407 . . . . . . . . 5 A CB . 52323 1 15 . 1 . 1 5 5 ALA N N 15 126.358 . . . . . . . . 5 A N . 52323 1 16 . 1 . 1 7 7 GLU H H 1 8.439 . . . . . . . . 7 E HN . 52323 1 17 . 1 . 1 7 7 GLU C C 13 174.856 . . . . . . . . 7 E CO . 52323 1 18 . 1 . 1 7 7 GLU CA C 13 54.467 . . . . . . . . 7 E CA . 52323 1 19 . 1 . 1 7 7 GLU CB C 13 29.929 . . . . . . . . 7 E CB . 52323 1 20 . 1 . 1 7 7 GLU N N 15 122.501 . . . . . . . . 7 E N . 52323 1 21 . 1 . 1 9 9 SER H H 1 8.462 . . . . . . . . 9 S HN . 52323 1 22 . 1 . 1 9 9 SER C C 13 173.317 . . . . . . . . 9 S CO . 52323 1 23 . 1 . 1 9 9 SER CA C 13 56.296 . . . . . . . . 9 S CA . 52323 1 24 . 1 . 1 9 9 SER CB C 13 63.449 . . . . . . . . 9 S CB . 52323 1 25 . 1 . 1 9 9 SER N N 15 117.561 . . . . . . . . 9 S N . 52323 1 26 . 1 . 1 12 12 THR H H 1 8.310 . . . . . . . . 12 T HN . 52323 1 27 . 1 . 1 12 12 THR C C 13 174.972 . . . . . . . . 12 T CO . 52323 1 28 . 1 . 1 12 12 THR CA C 13 61.908 . . . . . . . . 12 T CA . 52323 1 29 . 1 . 1 12 12 THR CB C 13 70.053 . . . . . . . . 12 T CB . 52323 1 30 . 1 . 1 12 12 THR N N 15 114.497 . . . . . . . . 12 T N . 52323 1 31 . 1 . 1 13 13 THR H H 1 8.190 . . . . . . . . 13 T HN . 52323 1 32 . 1 . 1 13 13 THR C C 13 174.702 . . . . . . . . 13 T CO . 52323 1 33 . 1 . 1 13 13 THR CA C 13 61.622 . . . . . . . . 13 T CA . 52323 1 34 . 1 . 1 13 13 THR CB C 13 69.919 . . . . . . . . 13 T CB . 52323 1 35 . 1 . 1 13 13 THR N N 15 116.342 . . . . . . . . 13 T N . 52323 1 36 . 1 . 1 14 14 THR H H 1 8.211 . . . . . . . . 14 T HN . 52323 1 37 . 1 . 1 14 14 THR C C 13 174.447 . . . . . . . . 14 T CO . 52323 1 38 . 1 . 1 14 14 THR CA C 13 61.837 . . . . . . . . 14 T CA . 52323 1 39 . 1 . 1 14 14 THR CB C 13 69.976 . . . . . . . . 14 T CB . 52323 1 40 . 1 . 1 14 14 THR N N 15 116.754 . . . . . . . . 14 T N . 52323 1 41 . 1 . 1 15 15 THR H H 1 8.385 . . . . . . . . 15 T HN . 52323 1 42 . 1 . 1 15 15 THR C C 13 173.146 . . . . . . . . 15 T CO . 52323 1 43 . 1 . 1 15 15 THR N N 15 119.717 . . . . . . . . 15 T N . 52323 1 44 . 1 . 1 18 18 ALA H H 1 8.476 . . . . . . . . 18 A HN . 52323 1 45 . 1 . 1 18 18 ALA C C 13 178.238 . . . . . . . . 18 A CO . 52323 1 46 . 1 . 1 18 18 ALA CA C 13 52.828 . . . . . . . . 18 A CA . 52323 1 47 . 1 . 1 18 18 ALA CB C 13 19.139 . . . . . . . . 18 A CB . 52323 1 48 . 1 . 1 18 18 ALA N N 15 124.408 . . . . . . . . 18 A N . 52323 1 49 . 1 . 1 19 19 SER H H 1 8.250 . . . . . . . . 19 S HN . 52323 1 50 . 1 . 1 19 19 SER C C 13 174.785 . . . . . . . . 19 S CO . 52323 1 51 . 1 . 1 19 19 SER CA C 13 58.379 . . . . . . . . 19 S CA . 52323 1 52 . 1 . 1 19 19 SER CB C 13 63.989 . . . . . . . . 19 S CB . 52323 1 53 . 1 . 1 19 19 SER N N 15 114.788 . . . . . . . . 19 S N . 52323 1 54 . 1 . 1 20 20 ALA H H 1 8.357 . . . . . . . . 20 A HN . 52323 1 55 . 1 . 1 20 20 ALA C C 13 178.121 . . . . . . . . 20 A CO . 52323 1 56 . 1 . 1 20 20 ALA CA C 13 52.959 . . . . . . . . 20 A CA . 52323 1 57 . 1 . 1 20 20 ALA CB C 13 19.254 . . . . . . . . 20 A CB . 52323 1 58 . 1 . 1 20 20 ALA N N 15 126.201 . . . . . . . . 20 A N . 52323 1 59 . 1 . 1 21 21 SER H H 1 8.214 . . . . . . . . 21 S HN . 52323 1 60 . 1 . 1 21 21 SER C C 13 174.611 . . . . . . . . 21 S CO . 52323 1 61 . 1 . 1 21 21 SER CA C 13 58.464 . . . . . . . . 21 S CA . 52323 1 62 . 1 . 1 21 21 SER CB C 13 63.932 . . . . . . . . 21 S CB . 52323 1 63 . 1 . 1 21 21 SER N N 15 114.718 . . . . . . . . 21 S N . 52323 1 64 . 1 . 1 22 22 ALA H H 1 8.275 . . . . . . . . 22 A HN . 52323 1 65 . 1 . 1 22 22 ALA C C 13 178.061 . . . . . . . . 22 A CO . 52323 1 66 . 1 . 1 22 22 ALA CA C 13 52.887 . . . . . . . . 22 A CA . 52323 1 67 . 1 . 1 22 22 ALA CB C 13 19.141 . . . . . . . . 22 A CB . 52323 1 68 . 1 . 1 22 22 ALA N N 15 125.930 . . . . . . . . 22 A N . 52323 1 69 . 1 . 1 23 23 SER H H 1 8.268 . . . . . . . . 23 S HN . 52323 1 70 . 1 . 1 23 23 SER C C 13 174.674 . . . . . . . . 23 S CO . 52323 1 71 . 1 . 1 23 23 SER CA C 13 58.329 . . . . . . . . 23 S CA . 52323 1 72 . 1 . 1 23 23 SER CB C 13 64.024 . . . . . . . . 23 S CB . 52323 1 73 . 1 . 1 23 23 SER N N 15 115.043 . . . . . . . . 23 S N . 52323 1 74 . 1 . 1 24 24 ALA H H 1 8.279 . . . . . . . . 24 A HN . 52323 1 75 . 1 . 1 24 24 ALA C C 13 178.100 . . . . . . . . 24 A CO . 52323 1 76 . 1 . 1 24 24 ALA CA C 13 52.917 . . . . . . . . 24 A CA . 52323 1 77 . 1 . 1 24 24 ALA CB C 13 19.634 . . . . . . . . 24 A CB . 52323 1 78 . 1 . 1 24 24 ALA N N 15 126.142 . . . . . . . . 24 A N . 52323 1 79 . 1 . 1 25 25 THR H H 1 8.152 . . . . . . . . 25 T HN . 52323 1 80 . 1 . 1 25 25 THR C C 13 174.861 . . . . . . . . 25 T CO . 52323 1 81 . 1 . 1 25 25 THR CA C 13 61.594 . . . . . . . . 25 T CA . 52323 1 82 . 1 . 1 25 25 THR CB C 13 70.032 . . . . . . . . 25 T CB . 52323 1 83 . 1 . 1 25 25 THR N N 15 113.115 . . . . . . . . 25 T N . 52323 1 84 . 1 . 1 26 26 THR H H 1 8.078 . . . . . . . . 26 T HN . 52323 1 85 . 1 . 1 26 26 THR C C 13 174.288 . . . . . . . . 26 T CO . 52323 1 86 . 1 . 1 26 26 THR CA C 13 61.963 . . . . . . . . 26 T CA . 52323 1 87 . 1 . 1 26 26 THR CB C 13 69.975 . . . . . . . . 26 T CB . 52323 1 88 . 1 . 1 26 26 THR N N 15 116.561 . . . . . . . . 26 T N . 52323 1 89 . 1 . 1 27 27 ALA H H 1 8.298 . . . . . . . . 27 A HN . 52323 1 90 . 1 . 1 27 27 ALA C C 13 177.802 . . . . . . . . 27 A CO . 52323 1 91 . 1 . 1 27 27 ALA CA C 13 52.837 . . . . . . . . 27 A CA . 52323 1 92 . 1 . 1 27 27 ALA CB C 13 19.254 . . . . . . . . 27 A CB . 52323 1 93 . 1 . 1 27 27 ALA N N 15 126.920 . . . . . . . . 27 A N . 52323 1 94 . 1 . 1 28 28 VAL H H 1 8.159 . . . . . . . . 28 V HN . 52323 1 95 . 1 . 1 28 28 VAL C C 13 176.644 . . . . . . . . 28 V CO . 52323 1 96 . 1 . 1 28 28 VAL CA C 13 62.552 . . . . . . . . 28 V CA . 52323 1 97 . 1 . 1 28 28 VAL CB C 13 32.301 . . . . . . . . 28 V CB . 52323 1 98 . 1 . 1 28 28 VAL N N 15 119.867 . . . . . . . . 28 V N . 52323 1 99 . 1 . 1 29 29 THR H H 1 8.199 . . . . . . . . 29 T HN . 52323 1 100 . 1 . 1 29 29 THR C C 13 174.300 . . . . . . . . 29 T CO . 52323 1 101 . 1 . 1 29 29 THR CA C 13 61.789 . . . . . . . . 29 T CA . 52323 1 102 . 1 . 1 29 29 THR CB C 13 70.089 . . . . . . . . 29 T CB . 52323 1 103 . 1 . 1 29 29 THR N N 15 118.423 . . . . . . . . 29 T N . 52323 1 104 . 1 . 1 30 30 ALA H H 1 8.322 . . . . . . . . 30 A HN . 52323 1 105 . 1 . 1 30 30 ALA C C 13 177.439 . . . . . . . . 30 A CO . 52323 1 106 . 1 . 1 30 30 ALA CA C 13 52.546 . . . . . . . . 30 A CA . 52323 1 107 . 1 . 1 30 30 ALA CB C 13 19.650 . . . . . . . . 30 A CB . 52323 1 108 . 1 . 1 30 30 ALA N N 15 126.956 . . . . . . . . 30 A N . 52323 1 109 . 1 . 1 31 31 ALA H H 1 8.306 . . . . . . . . 31 A HN . 52323 1 110 . 1 . 1 31 31 ALA C C 13 178.165 . . . . . . . . 31 A CO . 52323 1 111 . 1 . 1 31 31 ALA CA C 13 52.641 . . . . . . . . 31 A CA . 52323 1 112 . 1 . 1 31 31 ALA CB C 13 19.378 . . . . . . . . 31 A CB . 52323 1 113 . 1 . 1 31 31 ALA N N 15 123.638 . . . . . . . . 31 A N . 52323 1 114 . 1 . 1 32 32 THR H H 1 8.160 . . . . . . . . 32 T HN . 52323 1 115 . 1 . 1 32 32 THR C C 13 174.880 . . . . . . . . 32 T CO . 52323 1 116 . 1 . 1 32 32 THR CA C 13 61.837 . . . . . . . . 32 T CA . 52323 1 117 . 1 . 1 32 32 THR CB C 13 69.991 . . . . . . . . 32 T CB . 52323 1 118 . 1 . 1 32 32 THR N N 15 113.441 . . . . . . . . 32 T N . 52323 1 119 . 1 . 1 33 33 THR H H 1 8.267 . . . . . . . . 33 T HN . 52323 1 120 . 1 . 1 33 33 THR C C 13 174.622 . . . . . . . . 33 T CO . 52323 1 121 . 1 . 1 33 33 THR CA C 13 61.751 . . . . . . . . 33 T CA . 52323 1 122 . 1 . 1 33 33 THR CB C 13 69.988 . . . . . . . . 33 T CB . 52323 1 123 . 1 . 1 33 33 THR N N 15 116.683 . . . . . . . . 33 T N . 52323 1 124 . 1 . 1 34 34 GLU H H 1 8.450 . . . . . . . . 34 E HN . 52323 1 125 . 1 . 1 34 34 GLU C C 13 176.495 . . . . . . . . 34 E CO . 52323 1 126 . 1 . 1 34 34 GLU CA C 13 56.899 . . . . . . . . 34 E CA . 52323 1 127 . 1 . 1 34 34 GLU CB C 13 30.324 . . . . . . . . 34 E CB . 52323 1 128 . 1 . 1 34 34 GLU N N 15 123.580 . . . . . . . . 34 E N . 52323 1 129 . 1 . 1 35 35 VAL H H 1 8.070 . . . . . . . . 35 V HN . 52323 1 130 . 1 . 1 35 35 VAL C C 13 175.846 . . . . . . . . 35 V CO . 52323 1 131 . 1 . 1 35 35 VAL CA C 13 62.296 . . . . . . . . 35 V CA . 52323 1 132 . 1 . 1 35 35 VAL CB C 13 33.149 . . . . . . . . 35 V CB . 52323 1 133 . 1 . 1 35 35 VAL N N 15 120.386 . . . . . . . . 35 V N . 52323 1 134 . 1 . 1 36 36 ASP H H 1 8.345 . . . . . . . . 36 D HN . 52323 1 135 . 1 . 1 36 36 ASP C C 13 176.414 . . . . . . . . 36 D CO . 52323 1 136 . 1 . 1 36 36 ASP CA C 13 54.300 . . . . . . . . 36 D CA . 52323 1 137 . 1 . 1 36 36 ASP CB C 13 41.414 . . . . . . . . 36 D CB . 52323 1 138 . 1 . 1 36 36 ASP N N 15 123.863 . . . . . . . . 36 D N . 52323 1 139 . 1 . 1 38 38 PHE H H 1 8.194 . . . . . . . . 38 F HN . 52323 1 140 . 1 . 1 38 38 PHE C C 13 176.638 . . . . . . . . 38 F CO . 52323 1 141 . 1 . 1 38 38 PHE CA C 13 57.856 . . . . . . . . 38 F CA . 52323 1 142 . 1 . 1 38 38 PHE CB C 13 39.531 . . . . . . . . 38 F CB . 52323 1 143 . 1 . 1 38 38 PHE N N 15 119.139 . . . . . . . . 38 F N . 52323 1 144 . 1 . 1 39 39 GLY H H 1 8.173 . . . . . . . . 39 G HN . 52323 1 145 . 1 . 1 39 39 GLY C C 13 174.194 . . . . . . . . 39 G CO . 52323 1 146 . 1 . 1 39 39 GLY CA C 13 45.695 . . . . . . . . 39 G CA . 52323 1 147 . 1 . 1 39 39 GLY N N 15 109.723 . . . . . . . . 39 G N . 52323 1 148 . 1 . 1 40 40 ASP H H 1 8.234 . . . . . . . . 40 D HN . 52323 1 149 . 1 . 1 40 40 ASP C C 13 176.578 . . . . . . . . 40 D CO . 52323 1 150 . 1 . 1 40 40 ASP CA C 13 54.629 . . . . . . . . 40 D CA . 52323 1 151 . 1 . 1 40 40 ASP CB C 13 42.186 . . . . . . . . 40 D CB . 52323 1 152 . 1 . 1 40 40 ASP N N 15 120.682 . . . . . . . . 40 D N . 52323 1 153 . 1 . 1 41 41 ALA H H 1 8.232 . . . . . . . . 41 A HN . 52323 1 154 . 1 . 1 41 41 ALA C C 13 177.932 . . . . . . . . 41 A CO . 52323 1 155 . 1 . 1 41 41 ALA CA C 13 52.961 . . . . . . . . 41 A CA . 52323 1 156 . 1 . 1 41 41 ALA CB C 13 19.197 . . . . . . . . 41 A CB . 52323 1 157 . 1 . 1 41 41 ALA N N 15 123.952 . . . . . . . . 41 A N . 52323 1 158 . 1 . 1 42 42 PHE H H 1 8.086 . . . . . . . . 42 F HN . 52323 1 159 . 1 . 1 42 42 PHE C C 13 175.675 . . . . . . . . 42 F CO . 52323 1 160 . 1 . 1 42 42 PHE CA C 13 57.841 . . . . . . . . 42 F CA . 52323 1 161 . 1 . 1 42 42 PHE CB C 13 39.450 . . . . . . . . 42 F CB . 52323 1 162 . 1 . 1 42 42 PHE N N 15 118.430 . . . . . . . . 42 F N . 52323 1 163 . 1 . 1 43 43 ALA H H 1 7.912 . . . . . . . . 43 A HN . 52323 1 164 . 1 . 1 43 43 ALA C C 13 177.077 . . . . . . . . 43 A CO . 52323 1 165 . 1 . 1 43 43 ALA CA C 13 52.421 . . . . . . . . 43 A CA . 52323 1 166 . 1 . 1 43 43 ALA CB C 13 19.535 . . . . . . . . 43 A CB . 52323 1 167 . 1 . 1 43 43 ALA N N 15 125.145 . . . . . . . . 43 A N . 52323 1 168 . 1 . 1 44 44 ALA H H 1 8.117 . . . . . . . . 44 A HN . 52323 1 169 . 1 . 1 44 44 ALA C C 13 177.698 . . . . . . . . 44 A CO . 52323 1 170 . 1 . 1 44 44 ALA CA C 13 52.315 . . . . . . . . 44 A CA . 52323 1 171 . 1 . 1 44 44 ALA CB C 13 19.500 . . . . . . . . 44 A CB . 52323 1 172 . 1 . 1 44 44 ALA N N 15 123.259 . . . . . . . . 44 A N . 52323 1 173 . 1 . 1 45 45 SER H H 1 8.291 . . . . . . . . 45 S HN . 52323 1 174 . 1 . 1 45 45 SER C C 13 173.080 . . . . . . . . 45 S CO . 52323 1 175 . 1 . 1 45 45 SER CA C 13 56.411 . . . . . . . . 45 S CA . 52323 1 176 . 1 . 1 45 45 SER CB C 13 63.660 . . . . . . . . 45 S CB . 52323 1 177 . 1 . 1 45 45 SER N N 15 116.556 . . . . . . . . 45 S N . 52323 1 178 . 1 . 1 47 47 GLY H H 1 8.390 . . . . . . . . 47 G HN . 52323 1 179 . 1 . 1 47 47 GLY C C 13 174.075 . . . . . . . . 47 G CO . 52323 1 180 . 1 . 1 47 47 GLY CA C 13 45.262 . . . . . . . . 47 G CA . 52323 1 181 . 1 . 1 47 47 GLY N N 15 109.123 . . . . . . . . 47 G N . 52323 1 182 . 1 . 1 48 48 GLU H H 1 8.099 . . . . . . . . 48 E HN . 52323 1 183 . 1 . 1 48 48 GLU C C 13 176.077 . . . . . . . . 48 E CO . 52323 1 184 . 1 . 1 48 48 GLU CA C 13 56.151 . . . . . . . . 48 E CA . 52323 1 185 . 1 . 1 48 48 GLU CB C 13 30.793 . . . . . . . . 48 E CB . 52323 1 186 . 1 . 1 48 48 GLU N N 15 120.390 . . . . . . . . 48 E N . 52323 1 187 . 1 . 1 49 49 ALA H H 1 8.361 . . . . . . . . 49 A HN . 52323 1 188 . 1 . 1 49 49 ALA C C 13 175.577 . . . . . . . . 49 A CO . 52323 1 189 . 1 . 1 49 49 ALA CA C 13 50.655 . . . . . . . . 49 A CA . 52323 1 190 . 1 . 1 49 49 ALA CB C 13 18.441 . . . . . . . . 49 A CB . 52323 1 191 . 1 . 1 49 49 ALA N N 15 126.790 . . . . . . . . 49 A N . 52323 1 192 . 1 . 1 53 53 SER H H 1 8.453 . . . . . . . . 53 S HN . 52323 1 193 . 1 . 1 53 53 SER C C 13 175.097 . . . . . . . . 53 S CO . 52323 1 194 . 1 . 1 53 53 SER CA C 13 58.605 . . . . . . . . 53 S CA . 52323 1 195 . 1 . 1 53 53 SER CB C 13 64.441 . . . . . . . . 53 S CB . 52323 1 196 . 1 . 1 53 53 SER N N 15 116.379 . . . . . . . . 53 S N . 52323 1 197 . 1 . 1 54 54 GLU H H 1 8.525 . . . . . . . . 54 E HN . 52323 1 198 . 1 . 1 54 54 GLU C C 13 177.171 . . . . . . . . 54 E CO . 52323 1 199 . 1 . 1 54 54 GLU CA C 13 56.972 . . . . . . . . 54 E CA . 52323 1 200 . 1 . 1 54 54 GLU CB C 13 30.313 . . . . . . . . 54 E CB . 52323 1 201 . 1 . 1 54 54 GLU N N 15 123.086 . . . . . . . . 54 E N . 52323 1 202 . 1 . 1 55 55 GLY H H 1 8.406 . . . . . . . . 55 G HN . 52323 1 203 . 1 . 1 55 55 GLY C C 13 174.063 . . . . . . . . 55 G CO . 52323 1 204 . 1 . 1 55 55 GLY CA C 13 45.375 . . . . . . . . 55 G CA . 52323 1 205 . 1 . 1 55 55 GLY N N 15 109.932 . . . . . . . . 55 G N . 52323 1 206 . 1 . 1 56 56 ALA H H 1 8.133 . . . . . . . . 56 A HN . 52323 1 207 . 1 . 1 56 56 ALA C C 13 178.117 . . . . . . . . 56 A CO . 52323 1 208 . 1 . 1 56 56 ALA CA C 13 52.565 . . . . . . . . 56 A CA . 52323 1 209 . 1 . 1 56 56 ALA CB C 13 19.706 . . . . . . . . 56 A CB . 52323 1 210 . 1 . 1 56 56 ALA N N 15 123.755 . . . . . . . . 56 A N . 52323 1 211 . 1 . 1 57 57 THR H H 1 8.140 . . . . . . . . 57 T HN . 52323 1 212 . 1 . 1 57 57 THR C C 13 174.147 . . . . . . . . 57 T CO . 52323 1 213 . 1 . 1 57 57 THR CA C 13 61.594 . . . . . . . . 57 T CA . 52323 1 214 . 1 . 1 57 57 THR CB C 13 70.258 . . . . . . . . 57 T CB . 52323 1 215 . 1 . 1 57 57 THR N N 15 113.749 . . . . . . . . 57 T N . 52323 1 216 . 1 . 1 58 58 ALA H H 1 8.297 . . . . . . . . 58 A HN . 52323 1 217 . 1 . 1 58 58 ALA C C 13 175.500 . . . . . . . . 58 A CO . 52323 1 218 . 1 . 1 58 58 ALA CA C 13 50.681 . . . . . . . . 58 A CA . 52323 1 219 . 1 . 1 58 58 ALA CB C 13 18.197 . . . . . . . . 58 A CB . 52323 1 220 . 1 . 1 58 58 ALA N N 15 128.208 . . . . . . . . 58 A N . 52323 1 221 . 1 . 1 60 60 ALA H H 1 8.401 . . . . . . . . 60 A HN . 52323 1 222 . 1 . 1 60 60 ALA N N 15 124.616 . . . . . . . . 60 A N . 52323 1 223 . 1 . 1 61 61 THR H H 1 8.355 . . . . . . . . 61 T HN . 52323 1 224 . 1 . 1 61 61 THR N N 15 115.420 . . . . . . . . 61 T N . 52323 1 225 . 1 . 1 69 69 LEU H H 1 8.192 . . . . . . . . 69 L HN . 52323 1 226 . 1 . 1 69 69 LEU C C 13 177.508 . . . . . . . . 69 L CO . 52323 1 227 . 1 . 1 69 69 LEU CA C 13 55.505 . . . . . . . . 69 L CA . 52323 1 228 . 1 . 1 69 69 LEU CB C 13 42.415 . . . . . . . . 69 L CB . 52323 1 229 . 1 . 1 69 69 LEU N N 15 121.470 . . . . . . . . 69 L N . 52323 1 230 . 1 . 1 70 70 ASP H H 1 8.250 . . . . . . . . 70 D HN . 52323 1 231 . 1 . 1 70 70 ASP C C 13 176.359 . . . . . . . . 70 D CO . 52323 1 232 . 1 . 1 70 70 ASP CA C 13 54.206 . . . . . . . . 70 D CA . 52323 1 233 . 1 . 1 70 70 ASP CB C 13 41.113 . . . . . . . . 70 D CB . 52323 1 234 . 1 . 1 70 70 ASP N N 15 120.658 . . . . . . . . 70 D N . 52323 1 235 . 1 . 1 71 71 ALA H H 1 8.186 . . . . . . . . 71 A HN . 52323 1 236 . 1 . 1 71 71 ALA C C 13 178.097 . . . . . . . . 71 A CO . 52323 1 237 . 1 . 1 71 71 ALA CA C 13 53.011 . . . . . . . . 71 A CA . 52323 1 238 . 1 . 1 71 71 ALA CB C 13 19.141 . . . . . . . . 71 A CB . 52323 1 239 . 1 . 1 71 71 ALA N N 15 124.249 . . . . . . . . 71 A N . 52323 1 240 . 1 . 1 72 72 CYS H H 1 8.361 . . . . . . . . 72 C HN . 52323 1 241 . 1 . 1 72 72 CYS C C 13 175.105 . . . . . . . . 72 C CO . 52323 1 242 . 1 . 1 72 72 CYS CA C 13 58.852 . . . . . . . . 72 C CA . 52323 1 243 . 1 . 1 72 72 CYS CB C 13 28.001 . . . . . . . . 72 C CB . 52323 1 244 . 1 . 1 72 72 CYS N N 15 117.824 . . . . . . . . 72 C N . 52323 1 245 . 1 . 1 73 73 SER H H 1 8.343 . . . . . . . . 73 S HN . 52323 1 246 . 1 . 1 73 73 SER C C 13 175.247 . . . . . . . . 73 S CO . 52323 1 247 . 1 . 1 73 73 SER CA C 13 58.379 . . . . . . . . 73 S CA . 52323 1 248 . 1 . 1 73 73 SER CB C 13 63.868 . . . . . . . . 73 S CB . 52323 1 249 . 1 . 1 73 73 SER N N 15 117.945 . . . . . . . . 73 S N . 52323 1 250 . 1 . 1 74 74 GLY H H 1 8.399 . . . . . . . . 74 G HN . 52323 1 251 . 1 . 1 74 74 GLY C C 13 173.946 . . . . . . . . 74 G CO . 52323 1 252 . 1 . 1 74 74 GLY CA C 13 45.515 . . . . . . . . 74 G CA . 52323 1 253 . 1 . 1 74 74 GLY N N 15 110.669 . . . . . . . . 74 G N . 52323 1 254 . 1 . 1 75 75 ASN H H 1 8.226 . . . . . . . . 75 N HN . 52323 1 255 . 1 . 1 75 75 ASN C C 13 174.691 . . . . . . . . 75 N CO . 52323 1 256 . 1 . 1 75 75 ASN CA C 13 53.128 . . . . . . . . 75 N CA . 52323 1 257 . 1 . 1 75 75 ASN CB C 13 39.249 . . . . . . . . 75 N CB . 52323 1 258 . 1 . 1 75 75 ASN N N 15 118.456 . . . . . . . . 75 N N . 52323 1 259 . 1 . 1 76 76 ASP H H 1 8.323 . . . . . . . . 76 D HN . 52323 1 260 . 1 . 1 76 76 ASP C C 13 175.140 . . . . . . . . 76 D CO . 52323 1 261 . 1 . 1 76 76 ASP CA C 13 52.289 . . . . . . . . 76 D CA . 52323 1 262 . 1 . 1 76 76 ASP CB C 13 41.282 . . . . . . . . 76 D CB . 52323 1 263 . 1 . 1 76 76 ASP N N 15 122.099 . . . . . . . . 76 D N . 52323 1 264 . 1 . 1 78 78 PHE H H 1 8.238 . . . . . . . . 78 F HN . 52323 1 265 . 1 . 1 78 78 PHE C C 13 175.167 . . . . . . . . 78 F CO . 52323 1 266 . 1 . 1 78 78 PHE CA C 13 57.274 . . . . . . . . 78 F CA . 52323 1 267 . 1 . 1 78 78 PHE CB C 13 39.139 . . . . . . . . 78 F CB . 52323 1 268 . 1 . 1 78 78 PHE N N 15 118.829 . . . . . . . . 78 F N . 52323 1 269 . 1 . 1 79 79 ALA H H 1 7.744 . . . . . . . . 79 A HN . 52323 1 270 . 1 . 1 79 79 ALA C C 13 174.933 . . . . . . . . 79 A CO . 52323 1 271 . 1 . 1 79 79 ALA CA C 13 50.375 . . . . . . . . 79 A CA . 52323 1 272 . 1 . 1 79 79 ALA CB C 13 18.441 . . . . . . . . 79 A CB . 52323 1 273 . 1 . 1 79 79 ALA N N 15 126.425 . . . . . . . . 79 A N . 52323 1 274 . 1 . 1 82 82 GLU H H 1 8.448 . . . . . . . . 82 E HN . 52323 1 275 . 1 . 1 82 82 GLU C C 13 177.150 . . . . . . . . 82 E CO . 52323 1 276 . 1 . 1 82 82 GLU CA C 13 56.975 . . . . . . . . 82 E CA . 52323 1 277 . 1 . 1 82 82 GLU N N 15 122.922 . . . . . . . . 82 E N . 52323 1 278 . 1 . 1 83 83 GLY H H 1 8.456 . . . . . . . . 83 G HN . 52323 1 279 . 1 . 1 83 83 GLY C C 13 174.353 . . . . . . . . 83 G CO . 52323 1 280 . 1 . 1 83 83 GLY CA C 13 45.475 . . . . . . . . 83 G CA . 52323 1 281 . 1 . 1 83 83 GLY N N 15 110.164 . . . . . . . . 83 G N . 52323 1 282 . 1 . 1 84 84 SER H H 1 8.183 . . . . . . . . 84 S HN . 52323 1 283 . 1 . 1 84 84 SER C C 13 174.657 . . . . . . . . 84 S CO . 52323 1 284 . 1 . 1 84 84 SER CA C 13 58.379 . . . . . . . . 84 S CA . 52323 1 285 . 1 . 1 84 84 SER CB C 13 64.215 . . . . . . . . 84 S CB . 52323 1 286 . 1 . 1 84 84 SER N N 15 115.642 . . . . . . . . 84 S N . 52323 1 287 . 1 . 1 85 85 ALA H H 1 8.428 . . . . . . . . 85 A HN . 52323 1 288 . 1 . 1 85 85 ALA C C 13 177.886 . . . . . . . . 85 A CO . 52323 1 289 . 1 . 1 85 85 ALA CA C 13 52.792 . . . . . . . . 85 A CA . 52323 1 290 . 1 . 1 85 85 ALA CB C 13 19.307 . . . . . . . . 85 A CB . 52323 1 291 . 1 . 1 85 85 ALA N N 15 126.239 . . . . . . . . 85 A N . 52323 1 292 . 1 . 1 86 86 GLU H H 1 8.301 . . . . . . . . 86 E HN . 52323 1 293 . 1 . 1 86 86 GLU C C 13 176.203 . . . . . . . . 86 E CO . 52323 1 294 . 1 . 1 86 86 GLU CA C 13 56.462 . . . . . . . . 86 E CA . 52323 1 295 . 1 . 1 86 86 GLU CB C 13 30.410 . . . . . . . . 86 E CB . 52323 1 296 . 1 . 1 86 86 GLU N N 15 119.937 . . . . . . . . 86 E N . 52323 1 297 . 1 . 1 87 87 ALA H H 1 8.223 . . . . . . . . 87 A HN . 52323 1 298 . 1 . 1 87 87 ALA C C 13 177.105 . . . . . . . . 87 A CO . 52323 1 299 . 1 . 1 87 87 ALA CA C 13 52.392 . . . . . . . . 87 A CA . 52323 1 300 . 1 . 1 87 87 ALA CB C 13 19.367 . . . . . . . . 87 A CB . 52323 1 301 . 1 . 1 87 87 ALA N N 15 125.327 . . . . . . . . 87 A N . 52323 1 302 . 1 . 1 88 88 ALA H H 1 8.275 . . . . . . . . 88 A HN . 52323 1 303 . 1 . 1 88 88 ALA C C 13 175.740 . . . . . . . . 88 A CO . 52323 1 304 . 1 . 1 88 88 ALA CA C 13 50.618 . . . . . . . . 88 A CA . 52323 1 305 . 1 . 1 88 88 ALA CB C 13 18.294 . . . . . . . . 88 A CB . 52323 1 306 . 1 . 1 88 88 ALA N N 15 125.155 . . . . . . . . 88 A N . 52323 1 307 . 1 . 1 90 90 GLU H H 1 8.558 . . . . . . . . 90 E HN . 52323 1 308 . 1 . 1 90 90 GLU C C 13 176.440 . . . . . . . . 90 E CO . 52323 1 309 . 1 . 1 90 90 GLU CA C 13 56.784 . . . . . . . . 90 E CA . 52323 1 310 . 1 . 1 90 90 GLU CB C 13 30.039 . . . . . . . . 90 E CB . 52323 1 311 . 1 . 1 90 90 GLU N N 15 120.845 . . . . . . . . 90 E N . 52323 1 312 . 1 . 1 91 91 LEU H H 1 8.154 . . . . . . . . 91 L HN . 52323 1 313 . 1 . 1 91 91 LEU C C 13 176.918 . . . . . . . . 91 L CO . 52323 1 314 . 1 . 1 91 91 LEU CA C 13 55.234 . . . . . . . . 91 L CA . 52323 1 315 . 1 . 1 91 91 LEU CB C 13 42.651 . . . . . . . . 91 L CB . 52323 1 316 . 1 . 1 91 91 LEU N N 15 123.050 . . . . . . . . 91 L N . 52323 1 317 . 1 . 1 92 92 ASP H H 1 8.302 . . . . . . . . 92 D HN . 52323 1 318 . 1 . 1 92 92 ASP C C 13 176.533 . . . . . . . . 92 D CO . 52323 1 319 . 1 . 1 92 92 ASP CA C 13 54.051 . . . . . . . . 92 D CA . 52323 1 320 . 1 . 1 92 92 ASP CB C 13 40.971 . . . . . . . . 92 D CB . 52323 1 321 . 1 . 1 92 92 ASP N N 15 121.579 . . . . . . . . 92 D N . 52323 1 322 . 1 . 1 93 93 LEU H H 1 8.122 . . . . . . . . 93 L HN . 52323 1 323 . 1 . 1 93 93 LEU C C 13 177.783 . . . . . . . . 93 L CO . 52323 1 324 . 1 . 1 93 93 LEU CA C 13 55.948 . . . . . . . . 93 L CA . 52323 1 325 . 1 . 1 93 93 LEU CB C 13 42.028 . . . . . . . . 93 L CB . 52323 1 326 . 1 . 1 93 93 LEU N N 15 122.991 . . . . . . . . 93 L N . 52323 1 327 . 1 . 1 94 94 PHE H H 1 8.150 . . . . . . . . 94 F HN . 52323 1 328 . 1 . 1 94 94 PHE C C 13 175.763 . . . . . . . . 94 F CO . 52323 1 329 . 1 . 1 94 94 PHE CA C 13 57.892 . . . . . . . . 94 F CA . 52323 1 330 . 1 . 1 94 94 PHE CB C 13 39.365 . . . . . . . . 94 F CB . 52323 1 331 . 1 . 1 94 94 PHE N N 15 118.854 . . . . . . . . 94 F N . 52323 1 332 . 1 . 1 95 95 ALA H H 1 7.779 . . . . . . . . 95 A HN . 52323 1 333 . 1 . 1 95 95 ALA C C 13 177.448 . . . . . . . . 95 A CO . 52323 1 334 . 1 . 1 95 95 ALA CA C 13 52.624 . . . . . . . . 95 A CA . 52323 1 335 . 1 . 1 95 95 ALA CB C 13 19.006 . . . . . . . . 95 A CB . 52323 1 336 . 1 . 1 95 95 ALA N N 15 123.754 . . . . . . . . 95 A N . 52323 1 337 . 1 . 1 96 96 MET H H 1 8.098 . . . . . . . . 96 M HN . 52323 1 338 . 1 . 1 96 96 MET C C 13 175.840 . . . . . . . . 96 M CO . 52323 1 339 . 1 . 1 96 96 MET CA C 13 55.384 . . . . . . . . 96 M CA . 52323 1 340 . 1 . 1 96 96 MET CB C 13 32.605 . . . . . . . . 96 M CB . 52323 1 341 . 1 . 1 96 96 MET N N 15 118.961 . . . . . . . . 96 M N . 52323 1 342 . 1 . 1 97 97 LYS H H 1 8.211 . . . . . . . . 97 K HN . 52323 1 343 . 1 . 1 97 97 LYS C C 13 173.920 . . . . . . . . 97 K CO . 52323 1 344 . 1 . 1 97 97 LYS CA C 13 54.162 . . . . . . . . 97 K CA . 52323 1 345 . 1 . 1 97 97 LYS CB C 13 32.635 . . . . . . . . 97 K CB . 52323 1 346 . 1 . 1 97 97 LYS N N 15 124.148 . . . . . . . . 97 K N . 52323 1 347 . 1 . 1 99 99 PRO C C 13 177.041 . . . . . . . . 99 P CO . 52323 1 348 . 1 . 1 99 99 PRO CA C 13 62.975 . . . . . . . . 99 P CA . 52323 1 349 . 1 . 1 99 99 PRO CB C 13 32.214 . . . . . . . . 99 P CB . 52323 1 350 . 1 . 1 100 100 GLU H H 1 8.589 . . . . . . . . 100 E HN . 52323 1 351 . 1 . 1 100 100 GLU C C 13 176.838 . . . . . . . . 100 E CO . 52323 1 352 . 1 . 1 100 100 GLU CA C 13 56.690 . . . . . . . . 100 E CA . 52323 1 353 . 1 . 1 100 100 GLU CB C 13 30.394 . . . . . . . . 100 E CB . 52323 1 354 . 1 . 1 100 100 GLU N N 15 121.291 . . . . . . . . 100 E N . 52323 1 355 . 1 . 1 101 101 THR H H 1 8.212 . . . . . . . . 101 T HN . 52323 1 356 . 1 . 1 101 101 THR C C 13 174.390 . . . . . . . . 101 T CO . 52323 1 357 . 1 . 1 101 101 THR CA C 13 61.552 . . . . . . . . 101 T CA . 52323 1 358 . 1 . 1 101 101 THR N N 15 115.022 . . . . . . . . 101 T N . 52323 1 359 . 1 . 1 102 102 SER H H 1 8.307 . . . . . . . . 102 S HN . 52323 1 360 . 1 . 1 102 102 SER C C 13 175.763 . . . . . . . . 102 S CO . 52323 1 361 . 1 . 1 102 102 SER CA C 13 58.196 . . . . . . . . 102 S CA . 52323 1 362 . 1 . 1 102 102 SER CB C 13 64.054 . . . . . . . . 102 S CB . 52323 1 363 . 1 . 1 102 102 SER N N 15 118.381 . . . . . . . . 102 S N . 52323 1 364 . 1 . 1 103 103 ALA H H 1 8.278 . . . . . . . . 103 A HN . 52323 1 365 . 1 . 1 103 103 ALA C C 13 175.330 . . . . . . . . 103 A CO . 52323 1 366 . 1 . 1 103 103 ALA CA C 13 50.687 . . . . . . . . 103 A CA . 52323 1 367 . 1 . 1 103 103 ALA CB C 13 18.151 . . . . . . . . 103 A CB . 52323 1 368 . 1 . 1 103 103 ALA N N 15 127.241 . . . . . . . . 103 A N . 52323 1 369 . 1 . 1 104 104 PRO C C 13 176.715 . . . . . . . . 104 P CO . 52323 1 370 . 1 . 1 104 104 PRO CA C 13 62.929 . . . . . . . . 104 P CA . 52323 1 371 . 1 . 1 104 104 PRO CB C 13 32.239 . . . . . . . . 104 P CB . 52323 1 372 . 1 . 1 105 105 VAL H H 1 8.281 . . . . . . . . 105 V HN . 52323 1 373 . 1 . 1 105 105 VAL C C 13 176.270 . . . . . . . . 105 V CO . 52323 1 374 . 1 . 1 105 105 VAL CA C 13 62.193 . . . . . . . . 105 V CA . 52323 1 375 . 1 . 1 105 105 VAL CB C 13 32.981 . . . . . . . . 105 V CB . 52323 1 376 . 1 . 1 105 105 VAL N N 15 121.276 . . . . . . . . 105 V N . 52323 1 377 . 1 . 1 106 106 VAL H H 1 8.293 . . . . . . . . 106 V HN . 52323 1 378 . 1 . 1 106 106 VAL C C 13 175.958 . . . . . . . . 106 V CO . 52323 1 379 . 1 . 1 106 106 VAL CA C 13 61.902 . . . . . . . . 106 V CA . 52323 1 380 . 1 . 1 106 106 VAL CB C 13 32.933 . . . . . . . . 106 V CB . 52323 1 381 . 1 . 1 106 106 VAL N N 15 125.204 . . . . . . . . 106 V N . 52323 1 382 . 1 . 1 107 107 THR H H 1 8.333 . . . . . . . . 107 T HN . 52323 1 383 . 1 . 1 107 107 THR C C 13 172.800 . . . . . . . . 107 T CO . 52323 1 384 . 1 . 1 107 107 THR CA C 13 59.780 . . . . . . . . 107 T CA . 52323 1 385 . 1 . 1 107 107 THR CB C 13 69.727 . . . . . . . . 107 T CB . 52323 1 386 . 1 . 1 107 107 THR N N 15 121.849 . . . . . . . . 107 T N . 52323 1 387 . 1 . 1 108 108 PRO C C 13 177.055 . . . . . . . . 108 P CO . 52323 1 388 . 1 . 1 108 108 PRO CA C 13 63.250 . . . . . . . . 108 P CA . 52323 1 389 . 1 . 1 108 108 PRO CB C 13 32.179 . . . . . . . . 108 P CB . 52323 1 390 . 1 . 1 109 109 THR H H 1 8.230 . . . . . . . . 109 T HN . 52323 1 391 . 1 . 1 109 109 THR C C 13 174.322 . . . . . . . . 109 T CO . 52323 1 392 . 1 . 1 109 109 THR CA C 13 61.763 . . . . . . . . 109 T CA . 52323 1 393 . 1 . 1 109 109 THR CB C 13 70.064 . . . . . . . . 109 T CB . 52323 1 394 . 1 . 1 109 109 THR N N 15 115.055 . . . . . . . . 109 T N . 52323 1 395 . 1 . 1 110 110 ALA H H 1 8.323 . . . . . . . . 110 A HN . 52323 1 396 . 1 . 1 110 110 ALA C C 13 177.525 . . . . . . . . 110 A CO . 52323 1 397 . 1 . 1 110 110 ALA CA C 13 52.643 . . . . . . . . 110 A CA . 52323 1 398 . 1 . 1 110 110 ALA CB C 13 18.616 . . . . . . . . 110 A CB . 52323 1 399 . 1 . 1 110 110 ALA N N 15 126.874 . . . . . . . . 110 A N . 52323 1 400 . 1 . 1 117 117 PRO C C 13 176.587 . . . . . . . . 117 P CO . 52323 1 401 . 1 . 1 117 117 PRO CA C 13 63.081 . . . . . . . . 117 P CA . 52323 1 402 . 1 . 1 117 117 PRO CB C 13 32.198 . . . . . . . . 117 P CB . 52323 1 403 . 1 . 1 118 118 ALA H H 1 8.437 . . . . . . . . 118 A HN . 52323 1 404 . 1 . 1 118 118 ALA C C 13 177.895 . . . . . . . . 118 A CO . 52323 1 405 . 1 . 1 118 118 ALA CA C 13 52.550 . . . . . . . . 118 A CA . 52323 1 406 . 1 . 1 118 118 ALA CB C 13 19.283 . . . . . . . . 118 A CB . 52323 1 407 . 1 . 1 118 118 ALA N N 15 124.649 . . . . . . . . 118 A N . 52323 1 408 . 1 . 1 119 119 THR H H 1 8.063 . . . . . . . . 119 T HN . 52323 1 409 . 1 . 1 119 119 THR C C 13 173.873 . . . . . . . . 119 T CO . 52323 1 410 . 1 . 1 119 119 THR CA C 13 61.583 . . . . . . . . 119 T CA . 52323 1 411 . 1 . 1 119 119 THR CB C 13 70.066 . . . . . . . . 119 T CB . 52323 1 412 . 1 . 1 119 119 THR N N 15 113.530 . . . . . . . . 119 T N . 52323 1 413 . 1 . 1 120 120 ALA H H 1 8.239 . . . . . . . . 120 A HN . 52323 1 414 . 1 . 1 120 120 ALA C C 13 174.878 . . . . . . . . 120 A CO . 52323 1 415 . 1 . 1 120 120 ALA CA C 13 50.566 . . . . . . . . 120 A CA . 52323 1 416 . 1 . 1 120 120 ALA CB C 13 17.858 . . . . . . . . 120 A CB . 52323 1 417 . 1 . 1 120 120 ALA N N 15 128.054 . . . . . . . . 120 A N . 52323 1 418 . 1 . 1 121 121 PRO C C 13 176.492 . . . . . . . . 121 P CO . 52323 1 419 . 1 . 1 121 121 PRO CA C 13 63.183 . . . . . . . . 121 P CA . 52323 1 420 . 1 . 1 121 121 PRO CB C 13 32.239 . . . . . . . . 121 P CB . 52323 1 421 . 1 . 1 122 122 SER H H 1 8.419 . . . . . . . . 122 S HN . 52323 1 422 . 1 . 1 122 122 SER C C 13 175.174 . . . . . . . . 122 S CO . 52323 1 423 . 1 . 1 122 122 SER CB C 13 63.870 . . . . . . . . 122 S CB . 52323 1 424 . 1 . 1 122 122 SER N N 15 118.212 . . . . . . . . 122 S N . 52323 1 425 . 1 . 1 123 123 PRO C C 13 176.230 . . . . . . . . 123 P CO . 52323 1 426 . 1 . 1 123 123 PRO CA C 13 62.849 . . . . . . . . 123 P CA . 52323 1 427 . 1 . 1 123 123 PRO CB C 13 32.181 . . . . . . . . 123 P CB . 52323 1 428 . 1 . 1 124 124 ALA H H 1 8.409 . . . . . . . . 124 A HN . 52323 1 429 . 1 . 1 124 124 ALA C C 13 175.647 . . . . . . . . 124 A CO . 52323 1 430 . 1 . 1 124 124 ALA CA C 13 50.491 . . . . . . . . 124 A CA . 52323 1 431 . 1 . 1 124 124 ALA CB C 13 18.428 . . . . . . . . 124 A CB . 52323 1 432 . 1 . 1 124 124 ALA N N 15 125.800 . . . . . . . . 124 A N . 52323 1 433 . 1 . 1 125 125 PRO C C 13 177.171 . . . . . . . . 125 P CO . 52323 1 434 . 1 . 1 125 125 PRO CA C 13 63.206 . . . . . . . . 125 P CA . 52323 1 435 . 1 . 1 125 125 PRO CB C 13 32.112 . . . . . . . . 125 P CB . 52323 1 436 . 1 . 1 126 126 THR H H 1 8.132 . . . . . . . . 126 T HN . 52323 1 437 . 1 . 1 126 126 THR C C 13 174.297 . . . . . . . . 126 T CO . 52323 1 438 . 1 . 1 126 126 THR CA C 13 61.827 . . . . . . . . 126 T CA . 52323 1 439 . 1 . 1 126 126 THR CB C 13 70.254 . . . . . . . . 126 T CB . 52323 1 440 . 1 . 1 126 126 THR N N 15 114.101 . . . . . . . . 126 T N . 52323 1 441 . 1 . 1 127 127 ALA H H 1 8.279 . . . . . . . . 127 A HN . 52323 1 442 . 1 . 1 127 127 ALA C C 13 177.576 . . . . . . . . 127 A CO . 52323 1 443 . 1 . 1 127 127 ALA CA C 13 52.552 . . . . . . . . 127 A CA . 52323 1 444 . 1 . 1 127 127 ALA CB C 13 19.086 . . . . . . . . 127 A CB . 52323 1 445 . 1 . 1 127 127 ALA N N 15 126.730 . . . . . . . . 127 A N . 52323 1 446 . 1 . 1 128 128 VAL H H 1 8.083 . . . . . . . . 128 V HN . 52323 1 447 . 1 . 1 128 128 VAL C C 13 176.001 . . . . . . . . 128 V CO . 52323 1 448 . 1 . 1 128 128 VAL CA C 13 62.254 . . . . . . . . 128 V CA . 52323 1 449 . 1 . 1 128 128 VAL CB C 13 32.994 . . . . . . . . 128 V CB . 52323 1 450 . 1 . 1 128 128 VAL N N 15 119.845 . . . . . . . . 128 V N . 52323 1 451 . 1 . 1 129 129 ALA H H 1 8.351 . . . . . . . . 129 A HN . 52323 1 452 . 1 . 1 129 129 ALA C C 13 177.547 . . . . . . . . 129 A CO . 52323 1 453 . 1 . 1 129 129 ALA CA C 13 52.468 . . . . . . . . 129 A CA . 52323 1 454 . 1 . 1 129 129 ALA CB C 13 19.180 . . . . . . . . 129 A CB . 52323 1 455 . 1 . 1 129 129 ALA N N 15 127.938 . . . . . . . . 129 A N . 52323 1 456 . 1 . 1 130 130 ALA H H 1 8.254 . . . . . . . . 130 A HN . 52323 1 457 . 1 . 1 130 130 ALA C C 13 178.033 . . . . . . . . 130 A CO . 52323 1 458 . 1 . 1 130 130 ALA CA C 13 52.600 . . . . . . . . 130 A CA . 52323 1 459 . 1 . 1 130 130 ALA CB C 13 19.152 . . . . . . . . 130 A CB . 52323 1 460 . 1 . 1 130 130 ALA N N 15 123.287 . . . . . . . . 130 A N . 52323 1 461 . 1 . 1 131 131 THR H H 1 8.036 . . . . . . . . 131 T HN . 52323 1 462 . 1 . 1 131 131 THR C C 13 174.401 . . . . . . . . 131 T CO . 52323 1 463 . 1 . 1 131 131 THR CA C 13 61.749 . . . . . . . . 131 T CA . 52323 1 464 . 1 . 1 131 131 THR CB C 13 70.066 . . . . . . . . 131 T CB . 52323 1 465 . 1 . 1 131 131 THR N N 15 113.129 . . . . . . . . 131 T N . 52323 1 466 . 1 . 1 132 132 ALA H H 1 8.253 . . . . . . . . 132 A HN . 52323 1 467 . 1 . 1 132 132 ALA C C 13 177.434 . . . . . . . . 132 A CO . 52323 1 468 . 1 . 1 132 132 ALA CA C 13 52.521 . . . . . . . . 132 A CA . 52323 1 469 . 1 . 1 132 132 ALA CB C 13 19.179 . . . . . . . . 132 A CB . 52323 1 470 . 1 . 1 132 132 ALA N N 15 126.522 . . . . . . . . 132 A N . 52323 1 471 . 1 . 1 133 133 ALA C C 13 177.570 . . . . . . . . 133 A CO . 52323 1 472 . 1 . 1 133 133 ALA CA C 13 52.474 . . . . . . . . 133 A CA . 52323 1 473 . 1 . 1 133 133 ALA CB C 13 19.284 . . . . . . . . 133 A CB . 52323 1 474 . 1 . 1 134 134 ALA H H 1 8.320 . . . . . . . . 134 A HN . 52323 1 475 . 1 . 1 134 134 ALA C C 13 178.065 . . . . . . . . 134 A CO . 52323 1 476 . 1 . 1 134 134 ALA CA C 13 52.643 . . . . . . . . 134 A CA . 52323 1 477 . 1 . 1 134 134 ALA CB C 13 19.086 . . . . . . . . 134 A CB . 52323 1 478 . 1 . 1 134 134 ALA N N 15 123.738 . . . . . . . . 134 A N . 52323 1 479 . 1 . 1 135 135 THR H H 1 8.148 . . . . . . . . 135 T HN . 52323 1 480 . 1 . 1 135 135 THR C C 13 174.767 . . . . . . . . 135 T CO . 52323 1 481 . 1 . 1 135 135 THR CA C 13 61.796 . . . . . . . . 135 T CA . 52323 1 482 . 1 . 1 135 135 THR CB C 13 69.597 . . . . . . . . 135 T CB . 52323 1 483 . 1 . 1 135 135 THR N N 15 113.222 . . . . . . . . 135 T N . 52323 1 484 . 1 . 1 136 136 THR H H 1 8.181 . . . . . . . . 136 T HN . 52323 1 485 . 1 . 1 136 136 THR C C 13 174.669 . . . . . . . . 136 T CO . 52323 1 486 . 1 . 1 136 136 THR CA C 13 61.888 . . . . . . . . 136 T CA . 52323 1 487 . 1 . 1 136 136 THR CB C 13 69.691 . . . . . . . . 136 T CB . 52323 1 488 . 1 . 1 136 136 THR N N 15 116.893 . . . . . . . . 136 T N . 52323 1 489 . 1 . 1 137 137 THR H H 1 8.244 . . . . . . . . 137 T HN . 52323 1 490 . 1 . 1 137 137 THR C C 13 174.708 . . . . . . . . 137 T CO . 52323 1 491 . 1 . 1 137 137 THR CA C 13 61.839 . . . . . . . . 137 T CA . 52323 1 492 . 1 . 1 137 137 THR CB C 13 69.916 . . . . . . . . 137 T CB . 52323 1 493 . 1 . 1 137 137 THR N N 15 116.613 . . . . . . . . 137 T N . 52323 1 494 . 1 . 1 138 138 THR H H 1 8.246 . . . . . . . . 138 T HN . 52323 1 495 . 1 . 1 138 138 THR C C 13 174.707 . . . . . . . . 138 T CO . 52323 1 496 . 1 . 1 138 138 THR CA C 13 61.949 . . . . . . . . 138 T CA . 52323 1 497 . 1 . 1 138 138 THR CB C 13 69.879 . . . . . . . . 138 T CB . 52323 1 498 . 1 . 1 138 138 THR N N 15 116.686 . . . . . . . . 138 T N . 52323 1 499 . 1 . 1 139 139 THR H H 1 8.192 . . . . . . . . 139 T HN . 52323 1 500 . 1 . 1 139 139 THR C C 13 174.669 . . . . . . . . 139 T CO . 52323 1 501 . 1 . 1 139 139 THR CA C 13 61.918 . . . . . . . . 139 T CA . 52323 1 502 . 1 . 1 139 139 THR CB C 13 69.691 . . . . . . . . 139 T CB . 52323 1 503 . 1 . 1 139 139 THR N N 15 116.671 . . . . . . . . 139 T N . 52323 1 504 . 1 . 1 141 141 ALA C C 13 177.627 . . . . . . . . 141 A CO . 52323 1 505 . 1 . 1 141 141 ALA CA C 13 52.571 . . . . . . . . 141 A CA . 52323 1 506 . 1 . 1 141 141 ALA CB C 13 19.276 . . . . . . . . 141 A CB . 52323 1 507 . 1 . 1 142 142 ALA H H 1 8.190 . . . . . . . . 142 A HN . 52323 1 508 . 1 . 1 142 142 ALA C C 13 177.601 . . . . . . . . 142 A CO . 52323 1 509 . 1 . 1 142 142 ALA CA C 13 52.551 . . . . . . . . 142 A CA . 52323 1 510 . 1 . 1 142 142 ALA CB C 13 19.367 . . . . . . . . 142 A CB . 52323 1 511 . 1 . 1 142 142 ALA N N 15 123.271 . . . . . . . . 142 A N . 52323 1 512 . 1 . 1 143 143 ALA H H 1 8.232 . . . . . . . . 143 A HN . 52323 1 513 . 1 . 1 143 143 ALA C C 13 178.051 . . . . . . . . 143 A CO . 52323 1 514 . 1 . 1 143 143 ALA CA C 13 52.613 . . . . . . . . 143 A CA . 52323 1 515 . 1 . 1 143 143 ALA CB C 13 19.086 . . . . . . . . 143 A CB . 52323 1 516 . 1 . 1 143 143 ALA N N 15 123.541 . . . . . . . . 143 A N . 52323 1 517 . 1 . 1 144 144 THR H H 1 8.136 . . . . . . . . 144 T HN . 52323 1 518 . 1 . 1 144 144 THR C C 13 174.840 . . . . . . . . 144 T CO . 52323 1 519 . 1 . 1 144 144 THR CA C 13 61.766 . . . . . . . . 144 T CA . 52323 1 520 . 1 . 1 144 144 THR CB C 13 70.630 . . . . . . . . 144 T CB . 52323 1 521 . 1 . 1 144 144 THR N N 15 113.168 . . . . . . . . 144 T N . 52323 1 522 . 1 . 1 145 145 THR H H 1 8.179 . . . . . . . . 145 T HN . 52323 1 523 . 1 . 1 145 145 THR C C 13 174.674 . . . . . . . . 145 T CO . 52323 1 524 . 1 . 1 145 145 THR CA C 13 61.842 . . . . . . . . 145 T CA . 52323 1 525 . 1 . 1 145 145 THR CB C 13 69.938 . . . . . . . . 145 T CB . 52323 1 526 . 1 . 1 145 145 THR N N 15 116.256 . . . . . . . . 145 T N . 52323 1 527 . 1 . 1 146 146 THR C C 13 174.331 . . . . . . . . 146 T CO . 52323 1 528 . 1 . 1 146 146 THR CA C 13 61.934 . . . . . . . . 146 T CA . 52323 1 529 . 1 . 1 146 146 THR CB C 13 70.283 . . . . . . . . 146 T CB . 52323 1 530 . 1 . 1 147 147 ALA H H 1 8.364 . . . . . . . . 147 A HN . 52323 1 531 . 1 . 1 147 147 ALA C C 13 177.991 . . . . . . . . 147 A CO . 52323 1 532 . 1 . 1 147 147 ALA CA C 13 52.705 . . . . . . . . 147 A CA . 52323 1 533 . 1 . 1 147 147 ALA CB C 13 19.179 . . . . . . . . 147 A CB . 52323 1 534 . 1 . 1 147 147 ALA N N 15 126.752 . . . . . . . . 147 A N . 52323 1 535 . 1 . 1 148 148 THR H H 1 8.203 . . . . . . . . 148 T HN . 52323 1 536 . 1 . 1 148 148 THR C C 13 174.942 . . . . . . . . 148 T CO . 52323 1 537 . 1 . 1 148 148 THR CA C 13 61.964 . . . . . . . . 148 T CA . 52323 1 538 . 1 . 1 148 148 THR CB C 13 69.839 . . . . . . . . 148 T CB . 52323 1 539 . 1 . 1 148 148 THR N N 15 113.605 . . . . . . . . 148 T N . 52323 1 540 . 1 . 1 149 149 THR H H 1 8.144 . . . . . . . . 149 T HN . 52323 1 541 . 1 . 1 149 149 THR C C 13 174.720 . . . . . . . . 149 T CO . 52323 1 542 . 1 . 1 149 149 THR CA C 13 61.766 . . . . . . . . 149 T CA . 52323 1 543 . 1 . 1 149 149 THR CB C 13 69.691 . . . . . . . . 149 T CB . 52323 1 544 . 1 . 1 149 149 THR N N 15 116.154 . . . . . . . . 149 T N . 52323 1 545 . 1 . 1 150 150 SER H H 1 8.355 . . . . . . . . 150 S HN . 52323 1 546 . 1 . 1 150 150 SER C C 13 174.541 . . . . . . . . 150 S CO . 52323 1 547 . 1 . 1 150 150 SER CA C 13 58.563 . . . . . . . . 150 S CA . 52323 1 548 . 1 . 1 150 150 SER CB C 13 63.588 . . . . . . . . 150 S CB . 52323 1 549 . 1 . 1 150 150 SER N N 15 118.315 . . . . . . . . 150 S N . 52323 1 550 . 1 . 1 155 155 ALA C C 13 178.149 . . . . . . . . 155 A CO . 52323 1 551 . 1 . 1 155 155 ALA CA C 13 52.785 . . . . . . . . 155 A CA . 52323 1 552 . 1 . 1 155 155 ALA CB C 13 19.148 . . . . . . . . 155 A CB . 52323 1 553 . 1 . 1 156 156 THR H H 1 8.005 . . . . . . . . 156 T HN . 52323 1 554 . 1 . 1 156 156 THR C C 13 174.300 . . . . . . . . 156 T CO . 52323 1 555 . 1 . 1 156 156 THR CA C 13 61.789 . . . . . . . . 156 T CA . 52323 1 556 . 1 . 1 156 156 THR CB C 13 69.948 . . . . . . . . 156 T CB . 52323 1 557 . 1 . 1 156 156 THR N N 15 113.043 . . . . . . . . 156 T N . 52323 1 558 . 1 . 1 157 157 ALA H H 1 8.176 . . . . . . . . 157 A HN . 52323 1 559 . 1 . 1 157 157 ALA C C 13 177.154 . . . . . . . . 157 A CO . 52323 1 560 . 1 . 1 157 157 ALA CA C 13 52.484 . . . . . . . . 157 A CA . 52323 1 561 . 1 . 1 157 157 ALA CB C 13 19.368 . . . . . . . . 157 A CB . 52323 1 562 . 1 . 1 157 157 ALA N N 15 126.406 . . . . . . . . 157 A N . 52323 1 563 . 1 . 1 158 158 ALA H H 1 8.167 . . . . . . . . 158 A HN . 52323 1 564 . 1 . 1 158 158 ALA C C 13 176.979 . . . . . . . . 158 A CO . 52323 1 565 . 1 . 1 158 158 ALA CA C 13 52.247 . . . . . . . . 158 A CA . 52323 1 566 . 1 . 1 158 158 ALA CB C 13 19.430 . . . . . . . . 158 A CB . 52323 1 567 . 1 . 1 158 158 ALA N N 15 123.509 . . . . . . . . 158 A N . 52323 1 568 . 1 . 1 159 159 ALA H H 1 8.277 . . . . . . . . 159 A HN . 52323 1 569 . 1 . 1 159 159 ALA C C 13 175.559 . . . . . . . . 159 A CO . 52323 1 570 . 1 . 1 159 159 ALA CA C 13 50.517 . . . . . . . . 159 A CA . 52323 1 571 . 1 . 1 159 159 ALA CB C 13 18.710 . . . . . . . . 159 A CB . 52323 1 572 . 1 . 1 159 159 ALA N N 15 125.200 . . . . . . . . 159 A N . 52323 1 573 . 1 . 1 162 162 ALA C C 13 177.454 . . . . . . . . 162 A CO . 52323 1 574 . 1 . 1 162 162 ALA CA C 13 52.210 . . . . . . . . 162 A CA . 52323 1 575 . 1 . 1 162 162 ALA CB C 13 19.321 . . . . . . . . 162 A CB . 52323 1 576 . 1 . 1 163 163 LEU H H 1 8.160 . . . . . . . . 163 L HN . 52323 1 577 . 1 . 1 163 163 LEU C C 13 176.989 . . . . . . . . 163 L CO . 52323 1 578 . 1 . 1 163 163 LEU CA C 13 54.995 . . . . . . . . 163 L CA . 52323 1 579 . 1 . 1 163 163 LEU CB C 13 42.856 . . . . . . . . 163 L CB . 52323 1 580 . 1 . 1 163 163 LEU N N 15 121.387 . . . . . . . . 163 L N . 52323 1 581 . 1 . 1 164 164 ASP H H 1 8.354 . . . . . . . . 164 D HN . 52323 1 582 . 1 . 1 164 164 ASP C C 13 176.262 . . . . . . . . 164 D CO . 52323 1 583 . 1 . 1 164 164 ASP CA C 13 54.055 . . . . . . . . 164 D CA . 52323 1 584 . 1 . 1 164 164 ASP CB C 13 41.033 . . . . . . . . 164 D CB . 52323 1 585 . 1 . 1 164 164 ASP N N 15 121.379 . . . . . . . . 164 D N . 52323 1 586 . 1 . 1 165 165 ILE H H 1 7.800 . . . . . . . . 165 I HN . 52323 1 587 . 1 . 1 165 165 ILE C C 13 176.070 . . . . . . . . 165 I CO . 52323 1 588 . 1 . 1 165 165 ILE CA C 13 61.562 . . . . . . . . 165 I CA . 52323 1 589 . 1 . 1 165 165 ILE CB C 13 38.596 . . . . . . . . 165 I CB . 52323 1 590 . 1 . 1 165 165 ILE N N 15 119.476 . . . . . . . . 165 I N . 52323 1 591 . 1 . 1 166 166 PHE H H 1 8.214 . . . . . . . . 166 F HN . 52323 1 592 . 1 . 1 166 166 PHE C C 13 176.282 . . . . . . . . 166 F CO . 52323 1 593 . 1 . 1 166 166 PHE CA C 13 57.891 . . . . . . . . 166 F CA . 52323 1 594 . 1 . 1 166 166 PHE CB C 13 39.084 . . . . . . . . 166 F CB . 52323 1 595 . 1 . 1 166 166 PHE N N 15 122.574 . . . . . . . . 166 F N . 52323 1 596 . 1 . 1 167 167 GLY H H 1 8.163 . . . . . . . . 167 G HN . 52323 1 597 . 1 . 1 167 167 GLY C C 13 173.695 . . . . . . . . 167 G CO . 52323 1 598 . 1 . 1 167 167 GLY N N 15 109.788 . . . . . . . . 167 G N . 52323 1 599 . 1 . 1 168 168 ASP H H 1 8.229 . . . . . . . . 168 D HN . 52323 1 600 . 1 . 1 168 168 ASP C C 13 176.254 . . . . . . . . 168 D CO . 52323 1 601 . 1 . 1 168 168 ASP CA C 13 54.420 . . . . . . . . 168 D CA . 52323 1 602 . 1 . 1 168 168 ASP CB C 13 41.341 . . . . . . . . 168 D CB . 52323 1 603 . 1 . 1 168 168 ASP N N 15 120.446 . . . . . . . . 168 D N . 52323 1 604 . 1 . 1 169 169 LEU H H 1 8.103 . . . . . . . . 169 L HN . 52323 1 605 . 1 . 1 169 169 LEU C C 13 177.251 . . . . . . . . 169 L CO . 52323 1 606 . 1 . 1 169 169 LEU N N 15 121.571 . . . . . . . . 169 L N . 52323 1 607 . 1 . 1 170 170 PHE H H 1 8.135 . . . . . . . . 170 F HN . 52323 1 608 . 1 . 1 170 170 PHE C C 13 175.489 . . . . . . . . 170 F CO . 52323 1 609 . 1 . 1 170 170 PHE CA C 13 57.751 . . . . . . . . 170 F CA . 52323 1 610 . 1 . 1 170 170 PHE CB C 13 39.514 . . . . . . . . 170 F CB . 52323 1 611 . 1 . 1 170 170 PHE N N 15 120.107 . . . . . . . . 170 F N . 52323 1 612 . 1 . 1 171 171 ASP H H 1 8.217 . . . . . . . . 171 D HN . 52323 1 613 . 1 . 1 171 171 ASP C C 13 175.945 . . . . . . . . 171 D CO . 52323 1 614 . 1 . 1 171 171 ASP CA C 13 54.285 . . . . . . . . 171 D CA . 52323 1 615 . 1 . 1 171 171 ASP CB C 13 39.753 . . . . . . . . 171 D CB . 52323 1 616 . 1 . 1 171 171 ASP N N 15 121.773 . . . . . . . . 171 D N . 52323 1 617 . 1 . 1 172 172 SER H H 1 8.074 . . . . . . . . 172 S HN . 52323 1 618 . 1 . 1 172 172 SER C C 13 173.811 . . . . . . . . 172 S CO . 52323 1 619 . 1 . 1 172 172 SER CA C 13 58.072 . . . . . . . . 172 S CA . 52323 1 620 . 1 . 1 172 172 SER CB C 13 64.035 . . . . . . . . 172 S CB . 52323 1 621 . 1 . 1 172 172 SER N N 15 115.971 . . . . . . . . 172 S N . 52323 1 622 . 1 . 1 173 173 ALA H H 1 8.302 . . . . . . . . 173 A HN . 52323 1 623 . 1 . 1 173 173 ALA C C 13 175.507 . . . . . . . . 173 A CO . 52323 1 624 . 1 . 1 173 173 ALA CA C 13 50.874 . . . . . . . . 173 A CA . 52323 1 625 . 1 . 1 173 173 ALA CB C 13 18.286 . . . . . . . . 173 A CB . 52323 1 626 . 1 . 1 173 173 ALA N N 15 127.074 . . . . . . . . 173 A N . 52323 1 627 . 1 . 1 175 175 GLU H H 1 8.549 . . . . . . . . 175 E HN . 52323 1 628 . 1 . 1 175 175 GLU C C 13 176.749 . . . . . . . . 175 E CO . 52323 1 629 . 1 . 1 175 175 GLU CA C 13 56.887 . . . . . . . . 175 E CA . 52323 1 630 . 1 . 1 175 175 GLU N N 15 120.811 . . . . . . . . 175 E N . 52323 1 631 . 1 . 1 176 176 VAL H H 1 8.092 . . . . . . . . 176 V HN . 52323 1 632 . 1 . 1 176 176 VAL C C 13 176.046 . . . . . . . . 176 V CO . 52323 1 633 . 1 . 1 176 176 VAL CA C 13 62.375 . . . . . . . . 176 V CA . 52323 1 634 . 1 . 1 176 176 VAL N N 15 121.562 . . . . . . . . 176 V N . 52323 1 635 . 1 . 1 177 177 ALA H H 1 8.320 . . . . . . . . 177 A HN . 52323 1 636 . 1 . 1 177 177 ALA C C 13 177.621 . . . . . . . . 177 A CO . 52323 1 637 . 1 . 1 177 177 ALA CA C 13 52.633 . . . . . . . . 177 A CA . 52323 1 638 . 1 . 1 177 177 ALA N N 15 127.662 . . . . . . . . 177 A N . 52323 1 639 . 1 . 1 178 178 ALA H H 1 8.217 . . . . . . . . 178 A HN . 52323 1 640 . 1 . 1 178 178 ALA C C 13 177.635 . . . . . . . . 178 A CO . 52323 1 641 . 1 . 1 178 178 ALA CA C 13 52.658 . . . . . . . . 178 A CA . 52323 1 642 . 1 . 1 178 178 ALA N N 15 123.388 . . . . . . . . 178 A N . 52323 1 643 . 1 . 1 179 179 ALA H H 1 8.173 . . . . . . . . 179 A HN . 52323 1 644 . 1 . 1 179 179 ALA C C 13 177.874 . . . . . . . . 179 A CO . 52323 1 645 . 1 . 1 179 179 ALA CA C 13 52.665 . . . . . . . . 179 A CA . 52323 1 646 . 1 . 1 179 179 ALA N N 15 122.900 . . . . . . . . 179 A N . 52323 1 647 . 1 . 1 180 180 SER H H 1 8.181 . . . . . . . . 180 S HN . 52323 1 648 . 1 . 1 180 180 SER C C 13 174.760 . . . . . . . . 180 S CO . 52323 1 649 . 1 . 1 180 180 SER CA C 13 58.367 . . . . . . . . 180 S CA . 52323 1 650 . 1 . 1 180 180 SER N N 15 114.772 . . . . . . . . 180 S N . 52323 1 651 . 1 . 1 181 181 LYS H H 1 8.269 . . . . . . . . 181 K HN . 52323 1 652 . 1 . 1 181 181 LYS C C 13 174.608 . . . . . . . . 181 K CO . 52323 1 653 . 1 . 1 181 181 LYS CA C 13 54.319 . . . . . . . . 181 K CA . 52323 1 654 . 1 . 1 181 181 LYS N N 15 124.193 . . . . . . . . 181 K N . 52323 1 655 . 1 . 1 183 183 ASP H H 1 8.450 . . . . . . . . 183 D HN . 52323 1 656 . 1 . 1 183 183 ASP C C 13 175.991 . . . . . . . . 183 D CO . 52323 1 657 . 1 . 1 183 183 ASP CA C 13 54.456 . . . . . . . . 183 D CA . 52323 1 658 . 1 . 1 183 183 ASP N N 15 120.756 . . . . . . . . 183 D N . 52323 1 659 . 1 . 1 184 184 VAL H H 1 7.952 . . . . . . . . 184 V HN . 52323 1 660 . 1 . 1 184 184 VAL C C 13 175.402 . . . . . . . . 184 V CO . 52323 1 661 . 1 . 1 184 184 VAL CA C 13 61.670 . . . . . . . . 184 V CA . 52323 1 662 . 1 . 1 184 184 VAL N N 15 119.720 . . . . . . . . 184 V N . 52323 1 663 . 1 . 1 185 185 ALA H H 1 8.387 . . . . . . . . 185 A HN . 52323 1 664 . 1 . 1 187 187 SER H H 1 8.364 . . . . . . . . 187 S HN . 52323 1 665 . 1 . 1 187 187 SER N N 15 116.315 . . . . . . . . 187 S N . 52323 1 666 . 1 . 1 188 188 ILE H H 1 8.131 . . . . . . . . 188 I HN . 52323 1 667 . 1 . 1 188 188 ILE N N 15 122.309 . . . . . . . . 188 I N . 52323 1 668 . 1 . 1 189 189 ASP H H 1 8.336 . . . . . . . . 189 D HN . 52323 1 669 . 1 . 1 189 189 ASP N N 15 124.074 . . . . . . . . 189 D N . 52323 1 670 . 1 . 1 190 190 LEU H H 1 8.113 . . . . . . . . 190 L HN . 52323 1 671 . 1 . 1 190 190 LEU C C 13 177.668 . . . . . . . . 190 L CO . 52323 1 672 . 1 . 1 190 190 LEU N N 15 122.991 . . . . . . . . 190 L N . 52323 1 673 . 1 . 1 191 191 PHE H H 1 8.203 . . . . . . . . 191 F HN . 52323 1 674 . 1 . 1 191 191 PHE C C 13 176.527 . . . . . . . . 191 F CO . 52323 1 675 . 1 . 1 191 191 PHE CA C 13 58.024 . . . . . . . . 191 F CA . 52323 1 676 . 1 . 1 191 191 PHE N N 15 119.662 . . . . . . . . 191 F N . 52323 1 677 . 1 . 1 192 192 GLY H H 1 8.221 . . . . . . . . 192 G HN . 52323 1 678 . 1 . 1 192 192 GLY C C 13 174.499 . . . . . . . . 192 G CO . 52323 1 679 . 1 . 1 192 192 GLY CA C 13 45.333 . . . . . . . . 192 G CA . 52323 1 680 . 1 . 1 192 192 GLY N N 15 110.057 . . . . . . . . 192 G N . 52323 1 681 . 1 . 1 193 193 THR H H 1 8.078 . . . . . . . . 193 T HN . 52323 1 682 . 1 . 1 193 193 THR C C 13 174.580 . . . . . . . . 193 T CO . 52323 1 683 . 1 . 1 193 193 THR CA C 13 61.997 . . . . . . . . 193 T CA . 52323 1 684 . 1 . 1 193 193 THR N N 15 113.071 . . . . . . . . 193 T N . 52323 1 685 . 1 . 1 194 194 ASP H H 1 8.425 . . . . . . . . 194 D HN . 52323 1 686 . 1 . 1 194 194 ASP C C 13 176.174 . . . . . . . . 194 D CO . 52323 1 687 . 1 . 1 194 194 ASP CA C 13 54.508 . . . . . . . . 194 D CA . 52323 1 688 . 1 . 1 194 194 ASP N N 15 122.351 . . . . . . . . 194 D N . 52323 1 689 . 1 . 1 195 195 ALA H H 1 8.088 . . . . . . . . 195 A HN . 52323 1 690 . 1 . 1 195 195 ALA C C 13 177.491 . . . . . . . . 195 A CO . 52323 1 691 . 1 . 1 195 195 ALA CA C 13 53.000 . . . . . . . . 195 A CA . 52323 1 692 . 1 . 1 195 195 ALA N N 15 123.653 . . . . . . . . 195 A N . 52323 1 693 . 1 . 1 196 196 PHE H H 1 8.088 . . . . . . . . 196 F HN . 52323 1 694 . 1 . 1 196 196 PHE C C 13 175.817 . . . . . . . . 196 F CO . 52323 1 695 . 1 . 1 196 196 PHE CA C 13 57.818 . . . . . . . . 196 F CA . 52323 1 696 . 1 . 1 196 196 PHE N N 15 118.365 . . . . . . . . 196 F N . 52323 1 697 . 1 . 1 197 197 SER H H 1 8.229 . . . . . . . . 197 S HN . 52323 1 698 . 1 . 1 197 197 SER C C 13 173.918 . . . . . . . . 197 S CO . 52323 1 699 . 1 . 1 197 197 SER CA C 13 58.238 . . . . . . . . 197 S CA . 52323 1 700 . 1 . 1 197 197 SER N N 15 117.185 . . . . . . . . 197 S N . 52323 1 stop_ save_