data_27922 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27922 _Entry.Title ; scAtg3(del 1-18, 86-159, 248-278) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-23 _Entry.Accession_date 2019-05-23 _Entry.Last_release_date 2019-05-24 _Entry.Original_release_date 2019-05-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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 Grace Royappa . R. . . 27922 2 Yumei Zheng . . . . 27922 3 Qiu Yu . . . . 27922 4 Brenda Schulman . A. . . 27922 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27922 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 233 27922 '15N chemical shifts' 143 27922 '1H chemical shifts' 143 27922 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 . . 2019-12-04 2019-05-23 update BMRB 'update entry citation' 27922 1 . . 2019-08-06 2019-05-23 original author 'original release' 27922 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27923 scAtg3FR(86-159) 27922 BMRB 27924 scAtg8 27922 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27922 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 31399562 _Citation.Full_citation . _Citation.Title ; A switch element in the autophagy E2 Atg3 mediates allosteric regulation across the lipidation cascade ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 10 _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 3600 _Citation.Page_last 3600 _Citation.Year 2019 _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 Yumei Zheng Y. . . . 27922 1 2 Yu Qiu Y. . . . 27922 1 3 Christy Grace . . . . 27922 1 4 Xu Liu X. . . . 27922 1 5 Daniel Klionsky D. J. . . 27922 1 6 Brenda Schulman B. A. . . 27922 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Atg3 27922 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27922 _Assembly.ID 1 _Assembly.Name Atg3 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 Atg3 1 $Atg3 A . yes native no no . . . 27922 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2DYT . . . . . . 27922 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Atg3 _Entity.Sf_category entity _Entity.Sf_framecode Atg3 _Entity.Entry_ID 27922 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Atg3 _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 ; GSKSTFLTTGQITPEEFVQA GDYLAHMFPTWKWNEESSDI SYRDFLPKNKQFLIIRKVPA DKRAEQAVEAKDMAQERYYD LYIAYSTSYRVPKMYIVGFN SNGSPLSPEQMFEDISADYR TKTATIEKLPFYKNSVLSVS IHPCKHANVMKILLDKVDSL RVDQYLIVFLKFITSVTPSI QHDYTMEGW ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 189 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . GLY . 27922 1 2 . SER . 27922 1 3 19 LYS . 27922 1 4 20 SER . 27922 1 5 21 THR . 27922 1 6 22 PHE . 27922 1 7 23 LEU . 27922 1 8 24 THR . 27922 1 9 25 THR . 27922 1 10 26 GLY . 27922 1 11 27 GLN . 27922 1 12 28 ILE . 27922 1 13 29 THR . 27922 1 14 30 PRO . 27922 1 15 31 GLU . 27922 1 16 32 GLU . 27922 1 17 33 PHE . 27922 1 18 34 VAL . 27922 1 19 35 GLN . 27922 1 20 36 ALA . 27922 1 21 37 GLY . 27922 1 22 38 ASP . 27922 1 23 39 TYR . 27922 1 24 40 LEU . 27922 1 25 41 ALA . 27922 1 26 42 HIS . 27922 1 27 43 MET . 27922 1 28 44 PHE . 27922 1 29 45 PRO . 27922 1 30 46 THR . 27922 1 31 47 TRP . 27922 1 32 48 LYS . 27922 1 33 49 TRP . 27922 1 34 50 ASN . 27922 1 35 51 GLU . 27922 1 36 52 GLU . 27922 1 37 53 SER . 27922 1 38 54 SER . 27922 1 39 55 ASP . 27922 1 40 56 ILE . 27922 1 41 57 SER . 27922 1 42 58 TYR . 27922 1 43 59 ARG . 27922 1 44 60 ASP . 27922 1 45 61 PHE . 27922 1 46 62 LEU . 27922 1 47 63 PRO . 27922 1 48 64 LYS . 27922 1 49 65 ASN . 27922 1 50 66 LYS . 27922 1 51 67 GLN . 27922 1 52 68 PHE . 27922 1 53 69 LEU . 27922 1 54 70 ILE . 27922 1 55 71 ILE . 27922 1 56 72 ARG . 27922 1 57 73 LYS . 27922 1 58 74 VAL . 27922 1 59 75 PRO . 27922 1 60 76 ALA . 27922 1 61 77 ASP . 27922 1 62 78 LYS . 27922 1 63 79 ARG . 27922 1 64 80 ALA . 27922 1 65 81 GLU . 27922 1 66 82 GLN . 27922 1 67 83 ALA . 27922 1 68 84 VAL . 27922 1 69 85 GLU . 27922 1 70 160 ALA . 27922 1 71 161 LYS . 27922 1 72 162 ASP . 27922 1 73 163 MET . 27922 1 74 164 ALA . 27922 1 75 165 GLN . 27922 1 76 166 GLU . 27922 1 77 167 ARG . 27922 1 78 168 TYR . 27922 1 79 169 TYR . 27922 1 80 170 ASP . 27922 1 81 171 LEU . 27922 1 82 172 TYR . 27922 1 83 173 ILE . 27922 1 84 174 ALA . 27922 1 85 175 TYR . 27922 1 86 176 SER . 27922 1 87 177 THR . 27922 1 88 178 SER . 27922 1 89 179 TYR . 27922 1 90 180 ARG . 27922 1 91 181 VAL . 27922 1 92 182 PRO . 27922 1 93 183 LYS . 27922 1 94 184 MET . 27922 1 95 185 TYR . 27922 1 96 186 ILE . 27922 1 97 187 VAL . 27922 1 98 188 GLY . 27922 1 99 189 PHE . 27922 1 100 190 ASN . 27922 1 101 191 SER . 27922 1 102 192 ASN . 27922 1 103 193 GLY . 27922 1 104 194 SER . 27922 1 105 195 PRO . 27922 1 106 196 LEU . 27922 1 107 197 SER . 27922 1 108 198 PRO . 27922 1 109 199 GLU . 27922 1 110 200 GLN . 27922 1 111 201 MET . 27922 1 112 202 PHE . 27922 1 113 203 GLU . 27922 1 114 204 ASP . 27922 1 115 205 ILE . 27922 1 116 206 SER . 27922 1 117 207 ALA . 27922 1 118 208 ASP . 27922 1 119 209 TYR . 27922 1 120 210 ARG . 27922 1 121 211 THR . 27922 1 122 212 LYS . 27922 1 123 213 THR . 27922 1 124 214 ALA . 27922 1 125 215 THR . 27922 1 126 216 ILE . 27922 1 127 217 GLU . 27922 1 128 218 LYS . 27922 1 129 219 LEU . 27922 1 130 220 PRO . 27922 1 131 221 PHE . 27922 1 132 222 TYR . 27922 1 133 223 LYS . 27922 1 134 224 ASN . 27922 1 135 225 SER . 27922 1 136 226 VAL . 27922 1 137 227 LEU . 27922 1 138 228 SER . 27922 1 139 229 VAL . 27922 1 140 230 SER . 27922 1 141 231 ILE . 27922 1 142 232 HIS . 27922 1 143 233 PRO . 27922 1 144 234 CYS . 27922 1 145 235 LYS . 27922 1 146 236 HIS . 27922 1 147 237 ALA . 27922 1 148 238 ASN . 27922 1 149 239 VAL . 27922 1 150 240 MET . 27922 1 151 241 LYS . 27922 1 152 242 ILE . 27922 1 153 243 LEU . 27922 1 154 244 LEU . 27922 1 155 245 ASP . 27922 1 156 246 LYS . 27922 1 157 247 VAL . 27922 1 158 279 ASP . 27922 1 159 280 SER . 27922 1 160 281 LEU . 27922 1 161 282 ARG . 27922 1 162 283 VAL . 27922 1 163 284 ASP . 27922 1 164 285 GLN . 27922 1 165 286 TYR . 27922 1 166 287 LEU . 27922 1 167 288 ILE . 27922 1 168 289 VAL . 27922 1 169 290 PHE . 27922 1 170 291 LEU . 27922 1 171 292 LYS . 27922 1 172 293 PHE . 27922 1 173 294 ILE . 27922 1 174 295 THR . 27922 1 175 296 SER . 27922 1 176 297 VAL . 27922 1 177 298 THR . 27922 1 178 299 PRO . 27922 1 179 300 SER . 27922 1 180 301 ILE . 27922 1 181 302 GLN . 27922 1 182 303 HIS . 27922 1 183 304 ASP . 27922 1 184 305 TYR . 27922 1 185 306 THR . 27922 1 186 307 MET . 27922 1 187 308 GLU . 27922 1 188 309 GLY . 27922 1 189 310 TRP . 27922 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 . GLY 1 1 27922 1 . SER 2 2 27922 1 . LYS 3 3 27922 1 . SER 4 4 27922 1 . THR 5 5 27922 1 . PHE 6 6 27922 1 . LEU 7 7 27922 1 . THR 8 8 27922 1 . THR 9 9 27922 1 . GLY 10 10 27922 1 . GLN 11 11 27922 1 . ILE 12 12 27922 1 . THR 13 13 27922 1 . PRO 14 14 27922 1 . GLU 15 15 27922 1 . GLU 16 16 27922 1 . PHE 17 17 27922 1 . VAL 18 18 27922 1 . GLN 19 19 27922 1 . ALA 20 20 27922 1 . GLY 21 21 27922 1 . ASP 22 22 27922 1 . TYR 23 23 27922 1 . LEU 24 24 27922 1 . ALA 25 25 27922 1 . HIS 26 26 27922 1 . MET 27 27 27922 1 . PHE 28 28 27922 1 . PRO 29 29 27922 1 . THR 30 30 27922 1 . TRP 31 31 27922 1 . LYS 32 32 27922 1 . TRP 33 33 27922 1 . ASN 34 34 27922 1 . GLU 35 35 27922 1 . GLU 36 36 27922 1 . SER 37 37 27922 1 . SER 38 38 27922 1 . ASP 39 39 27922 1 . ILE 40 40 27922 1 . SER 41 41 27922 1 . TYR 42 42 27922 1 . ARG 43 43 27922 1 . ASP 44 44 27922 1 . PHE 45 45 27922 1 . LEU 46 46 27922 1 . PRO 47 47 27922 1 . LYS 48 48 27922 1 . ASN 49 49 27922 1 . LYS 50 50 27922 1 . GLN 51 51 27922 1 . PHE 52 52 27922 1 . LEU 53 53 27922 1 . ILE 54 54 27922 1 . ILE 55 55 27922 1 . ARG 56 56 27922 1 . LYS 57 57 27922 1 . VAL 58 58 27922 1 . PRO 59 59 27922 1 . ALA 60 60 27922 1 . ASP 61 61 27922 1 . LYS 62 62 27922 1 . ARG 63 63 27922 1 . ALA 64 64 27922 1 . GLU 65 65 27922 1 . GLN 66 66 27922 1 . ALA 67 67 27922 1 . VAL 68 68 27922 1 . GLU 69 69 27922 1 . ALA 70 70 27922 1 . LYS 71 71 27922 1 . ASP 72 72 27922 1 . MET 73 73 27922 1 . ALA 74 74 27922 1 . GLN 75 75 27922 1 . GLU 76 76 27922 1 . ARG 77 77 27922 1 . TYR 78 78 27922 1 . TYR 79 79 27922 1 . ASP 80 80 27922 1 . LEU 81 81 27922 1 . TYR 82 82 27922 1 . ILE 83 83 27922 1 . ALA 84 84 27922 1 . TYR 85 85 27922 1 . SER 86 86 27922 1 . THR 87 87 27922 1 . SER 88 88 27922 1 . TYR 89 89 27922 1 . ARG 90 90 27922 1 . VAL 91 91 27922 1 . PRO 92 92 27922 1 . LYS 93 93 27922 1 . MET 94 94 27922 1 . TYR 95 95 27922 1 . ILE 96 96 27922 1 . VAL 97 97 27922 1 . GLY 98 98 27922 1 . PHE 99 99 27922 1 . ASN 100 100 27922 1 . SER 101 101 27922 1 . ASN 102 102 27922 1 . GLY 103 103 27922 1 . SER 104 104 27922 1 . PRO 105 105 27922 1 . LEU 106 106 27922 1 . SER 107 107 27922 1 . PRO 108 108 27922 1 . GLU 109 109 27922 1 . GLN 110 110 27922 1 . MET 111 111 27922 1 . PHE 112 112 27922 1 . GLU 113 113 27922 1 . ASP 114 114 27922 1 . ILE 115 115 27922 1 . SER 116 116 27922 1 . ALA 117 117 27922 1 . ASP 118 118 27922 1 . TYR 119 119 27922 1 . ARG 120 120 27922 1 . THR 121 121 27922 1 . LYS 122 122 27922 1 . THR 123 123 27922 1 . ALA 124 124 27922 1 . THR 125 125 27922 1 . ILE 126 126 27922 1 . GLU 127 127 27922 1 . LYS 128 128 27922 1 . LEU 129 129 27922 1 . PRO 130 130 27922 1 . PHE 131 131 27922 1 . TYR 132 132 27922 1 . LYS 133 133 27922 1 . ASN 134 134 27922 1 . SER 135 135 27922 1 . VAL 136 136 27922 1 . LEU 137 137 27922 1 . SER 138 138 27922 1 . VAL 139 139 27922 1 . SER 140 140 27922 1 . ILE 141 141 27922 1 . HIS 142 142 27922 1 . PRO 143 143 27922 1 . CYS 144 144 27922 1 . LYS 145 145 27922 1 . HIS 146 146 27922 1 . ALA 147 147 27922 1 . ASN 148 148 27922 1 . VAL 149 149 27922 1 . MET 150 150 27922 1 . LYS 151 151 27922 1 . ILE 152 152 27922 1 . LEU 153 153 27922 1 . LEU 154 154 27922 1 . ASP 155 155 27922 1 . LYS 156 156 27922 1 . VAL 157 157 27922 1 . ASP 158 158 27922 1 . SER 159 159 27922 1 . LEU 160 160 27922 1 . ARG 161 161 27922 1 . VAL 162 162 27922 1 . ASP 163 163 27922 1 . GLN 164 164 27922 1 . TYR 165 165 27922 1 . LEU 166 166 27922 1 . ILE 167 167 27922 1 . VAL 168 168 27922 1 . PHE 169 169 27922 1 . LEU 170 170 27922 1 . LYS 171 171 27922 1 . PHE 172 172 27922 1 . ILE 173 173 27922 1 . THR 174 174 27922 1 . SER 175 175 27922 1 . VAL 176 176 27922 1 . THR 177 177 27922 1 . PRO 178 178 27922 1 . SER 179 179 27922 1 . ILE 180 180 27922 1 . GLN 181 181 27922 1 . HIS 182 182 27922 1 . ASP 183 183 27922 1 . TYR 184 184 27922 1 . THR 185 185 27922 1 . MET 186 186 27922 1 . GLU 187 187 27922 1 . GLY 188 188 27922 1 . TRP 189 189 27922 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27922 _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 $Atg3 . 4932 organism . 'Saccharomyces cerevisiae' "baker's yeast" . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . 27922 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27922 _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 $Atg3 . 'recombinant technology' 'Saccharomyces cerevisiae' . . . Saccharomyces cerevisiae . . . . . . pGEX-4T-1 . . . 27922 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27922 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _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 Atg3 '[U-100% 13C; U-100% 15N]' . . 1 $Atg3 . . 0.75 . . mM . . . . 27922 1 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 27922 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 27922 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 100 . mM 27922 1 pH 6.5 . pH 27922 1 pressure 1 . atm 27922 1 temperature 298 . K 27922 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27922 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27922 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27922 1 . processing 27922 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27922 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27922 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 27922 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27922 _Software.ID 3 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27922 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27922 3 . 'peak picking' 27922 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27922 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27922 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27922 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27922 1 2 spectrometer_2 Bruker Avance . 800 . . . 27922 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27922 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27922 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27922 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27922 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27922 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27922 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27922 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27922 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27922 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27922 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27922 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27922 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27922 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_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' . . . 27922 1 2 '3D HNCACB' . . . 27922 1 3 '3D CBCA(CO)NH' . . . 27922 1 4 '3D HNCO' . . . 27922 1 5 '3D HN(CA)CO' . . . 27922 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 27922 1 3 $CARA . . 27922 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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 3 3 LYS H H 1 8.445 0.020 . 1 . . . . . 19 LYS H . 27922 1 2 . 1 1 3 3 LYS CA C 13 56.379 0.3 . 1 . . . . . 19 LYS CA . 27922 1 3 . 1 1 3 3 LYS CB C 13 33.280 0.3 . 1 . . . . . 19 LYS CB . 27922 1 4 . 1 1 3 3 LYS N N 15 124.182 0.3 . 1 . . . . . 19 LYS N . 27922 1 5 . 1 1 4 4 SER H H 1 8.346 0.020 . 1 . . . . . 20 SER H . 27922 1 6 . 1 1 4 4 SER CA C 13 58.567 0.3 . 1 . . . . . 20 SER CA . 27922 1 7 . 1 1 4 4 SER CB C 13 63.397 0.3 . 1 . . . . . 20 SER CB . 27922 1 8 . 1 1 4 4 SER N N 15 118.132 0.3 . 1 . . . . . 20 SER N . 27922 1 9 . 1 1 5 5 THR H H 1 8.737 0.020 . 1 . . . . . 21 THR H . 27922 1 10 . 1 1 5 5 THR CA C 13 62.880 0.3 . 1 . . . . . 21 THR CA . 27922 1 11 . 1 1 5 5 THR CB C 13 69.507 0.3 . 1 . . . . . 21 THR CB . 27922 1 12 . 1 1 5 5 THR N N 15 118.909 0.3 . 1 . . . . . 21 THR N . 27922 1 13 . 1 1 6 6 PHE H H 1 8.710 0.020 . 1 . . . . . 22 PHE H . 27922 1 14 . 1 1 6 6 PHE CA C 13 56.170 0.3 . 1 . . . . . 22 PHE CA . 27922 1 15 . 1 1 6 6 PHE CB C 13 41.051 0.3 . 1 . . . . . 22 PHE CB . 27922 1 16 . 1 1 6 6 PHE N N 15 125.297 0.3 . 1 . . . . . 22 PHE N . 27922 1 17 . 1 1 8 8 THR H H 1 7.615 0.020 . 1 . . . . . 24 THR H . 27922 1 18 . 1 1 8 8 THR CA C 13 63.442 0.3 . 1 . . . . . 24 THR CA . 27922 1 19 . 1 1 8 8 THR CB C 13 69.396 0.3 . 1 . . . . . 24 THR CB . 27922 1 20 . 1 1 8 8 THR N N 15 109.754 0.3 . 1 . . . . . 24 THR N . 27922 1 21 . 1 1 9 9 THR H H 1 8.082 0.020 . 1 . . . . . 25 THR H . 27922 1 22 . 1 1 9 9 THR CA C 13 62.127 0.3 . 1 . . . . . 25 THR CA . 27922 1 23 . 1 1 9 9 THR CB C 13 71.659 0.3 . 1 . . . . . 25 THR CB . 27922 1 24 . 1 1 9 9 THR N N 15 110.184 0.3 . 1 . . . . . 25 THR N . 27922 1 25 . 1 1 10 10 GLY H H 1 8.287 0.020 . 1 . . . . . 26 GLY H . 27922 1 26 . 1 1 10 10 GLY CA C 13 46.141 0.3 . 1 . . . . . 26 GLY CA . 27922 1 27 . 1 1 10 10 GLY N N 15 112.110 0.3 . 1 . . . . . 26 GLY N . 27922 1 28 . 1 1 11 11 GLN H H 1 8.010 0.020 . 1 . . . . . 27 GLN H . 27922 1 29 . 1 1 11 11 GLN N N 15 120.742 0.3 . 1 . . . . . 27 GLN N . 27922 1 30 . 1 1 12 12 ILE H H 1 8.540 0.020 . 1 . . . . . 28 ILE H . 27922 1 31 . 1 1 12 12 ILE N N 15 112.000 0.3 . 1 . . . . . 28 ILE N . 27922 1 32 . 1 1 13 13 THR H H 1 9.354 0.020 . 1 . . . . . 29 THR H . 27922 1 33 . 1 1 13 13 THR CA C 13 60.202 0.3 . 1 . . . . . 29 THR CA . 27922 1 34 . 1 1 13 13 THR N N 15 116.366 0.3 . 1 . . . . . 29 THR N . 27922 1 35 . 1 1 15 15 GLU H H 1 8.234 0.020 . 1 . . . . . 31 GLU H . 27922 1 36 . 1 1 15 15 GLU N N 15 116.398 0.3 . 1 . . . . . 31 GLU N . 27922 1 37 . 1 1 16 16 GLU H H 1 7.724 0.020 . 1 . . . . . 32 GLU H . 27922 1 38 . 1 1 16 16 GLU N N 15 122.352 0.3 . 1 . . . . . 32 GLU N . 27922 1 39 . 1 1 17 17 PHE H H 1 8.299 0.020 . 1 . . . . . 33 PHE H . 27922 1 40 . 1 1 17 17 PHE N N 15 121.043 0.3 . 1 . . . . . 33 PHE N . 27922 1 41 . 1 1 18 18 VAL H H 1 7.862 0.020 . 1 . . . . . 34 VAL H . 27922 1 42 . 1 1 18 18 VAL CA C 13 66.942 0.3 . 1 . . . . . 34 VAL CA . 27922 1 43 . 1 1 18 18 VAL CB C 13 31.447 0.3 . 1 . . . . . 34 VAL CB . 27922 1 44 . 1 1 18 18 VAL N N 15 119.920 0.3 . 1 . . . . . 34 VAL N . 27922 1 45 . 1 1 19 19 GLN H H 1 7.640 0.020 . 1 . . . . . 35 GLN H . 27922 1 46 . 1 1 19 19 GLN CA C 13 59.418 0.3 . 1 . . . . . 35 GLN CA . 27922 1 47 . 1 1 19 19 GLN CB C 13 28.865 0.3 . 1 . . . . . 35 GLN CB . 27922 1 48 . 1 1 19 19 GLN N N 15 119.334 0.3 . 1 . . . . . 35 GLN N . 27922 1 49 . 1 1 20 20 ALA H H 1 8.714 0.020 . 1 . . . . . 36 ALA H . 27922 1 50 . 1 1 20 20 ALA CA C 13 54.037 0.3 . 1 . . . . . 36 ALA CA . 27922 1 51 . 1 1 20 20 ALA CB C 13 18.071 0.3 . 1 . . . . . 36 ALA CB . 27922 1 52 . 1 1 20 20 ALA N N 15 123.495 0.3 . 1 . . . . . 36 ALA N . 27922 1 53 . 1 1 21 21 GLY H H 1 9.109 0.020 . 1 . . . . . 37 GLY H . 27922 1 54 . 1 1 21 21 GLY CA C 13 47.942 0.3 . 1 . . . . . 37 GLY CA . 27922 1 55 . 1 1 21 21 GLY N N 15 113.855 0.3 . 1 . . . . . 37 GLY N . 27922 1 56 . 1 1 22 22 ASP H H 1 9.122 0.020 . 1 . . . . . 38 ASP H . 27922 1 57 . 1 1 22 22 ASP CA C 13 57.681 0.3 . 1 . . . . . 38 ASP CA . 27922 1 58 . 1 1 22 22 ASP CB C 13 39.808 0.3 . 1 . . . . . 38 ASP CB . 27922 1 59 . 1 1 22 22 ASP N N 15 122.923 0.3 . 1 . . . . . 38 ASP N . 27922 1 60 . 1 1 23 23 TYR H H 1 7.765 0.020 . 1 . . . . . 39 TYR H . 27922 1 61 . 1 1 23 23 TYR CA C 13 62.405 0.3 . 1 . . . . . 39 TYR CA . 27922 1 62 . 1 1 23 23 TYR CB C 13 39.306 0.3 . 1 . . . . . 39 TYR CB . 27922 1 63 . 1 1 23 23 TYR N N 15 122.319 0.3 . 1 . . . . . 39 TYR N . 27922 1 64 . 1 1 24 24 LEU H H 1 7.893 0.020 . 1 . . . . . 40 LEU H . 27922 1 65 . 1 1 24 24 LEU CA C 13 59.309 0.3 . 1 . . . . . 40 LEU CA . 27922 1 66 . 1 1 24 24 LEU N N 15 122.005 0.3 . 1 . . . . . 40 LEU N . 27922 1 67 . 1 1 25 25 ALA H H 1 8.217 0.020 . 1 . . . . . 41 ALA H . 27922 1 68 . 1 1 25 25 ALA CA C 13 53.829 0.3 . 1 . . . . . 41 ALA CA . 27922 1 69 . 1 1 25 25 ALA CB C 13 17.530 0.3 . 1 . . . . . 41 ALA CB . 27922 1 70 . 1 1 25 25 ALA N N 15 118.557 0.3 . 1 . . . . . 41 ALA N . 27922 1 71 . 1 1 26 26 HIS H H 1 7.621 0.020 . 1 . . . . . 42 HIS H . 27922 1 72 . 1 1 26 26 HIS CA C 13 57.868 0.3 . 1 . . . . . 42 HIS CA . 27922 1 73 . 1 1 26 26 HIS CB C 13 29.080 0.3 . 1 . . . . . 42 HIS CB . 27922 1 74 . 1 1 26 26 HIS N N 15 115.467 0.3 . 1 . . . . . 42 HIS N . 27922 1 75 . 1 1 27 27 MET H H 1 7.862 0.020 . 1 . . . . . 43 MET H . 27922 1 76 . 1 1 27 27 MET CA C 13 56.412 0.3 . 1 . . . . . 43 MET CA . 27922 1 77 . 1 1 27 27 MET CB C 13 32.380 0.3 . 1 . . . . . 43 MET CB . 27922 1 78 . 1 1 27 27 MET N N 15 118.499 0.3 . 1 . . . . . 43 MET N . 27922 1 79 . 1 1 28 28 PHE H H 1 8.631 0.020 . 1 . . . . . 44 PHE H . 27922 1 80 . 1 1 28 28 PHE CA C 13 55.120 0.3 . 1 . . . . . 44 PHE CA . 27922 1 81 . 1 1 28 28 PHE CB C 13 39.769 0.3 . 1 . . . . . 44 PHE CB . 27922 1 82 . 1 1 28 28 PHE N N 15 118.519 0.3 . 1 . . . . . 44 PHE N . 27922 1 83 . 1 1 30 30 THR H H 1 7.419 0.020 . 1 . . . . . 46 THR H . 27922 1 84 . 1 1 30 30 THR CA C 13 63.800 0.3 . 1 . . . . . 46 THR CA . 27922 1 85 . 1 1 30 30 THR CB C 13 67.889 0.3 . 1 . . . . . 46 THR CB . 27922 1 86 . 1 1 30 30 THR N N 15 111.495 0.3 . 1 . . . . . 46 THR N . 27922 1 87 . 1 1 31 31 TRP H H 1 8.562 0.020 . 1 . . . . . 47 TRP H . 27922 1 88 . 1 1 31 31 TRP CA C 13 65.242 0.3 . 1 . . . . . 47 TRP CA . 27922 1 89 . 1 1 31 31 TRP N N 15 124.105 0.3 . 1 . . . . . 47 TRP N . 27922 1 90 . 1 1 33 33 TRP H H 1 8.070 0.020 . 1 . . . . . 49 TRP H . 27922 1 91 . 1 1 33 33 TRP CA C 13 57.545 0.3 . 1 . . . . . 49 TRP CA . 27922 1 92 . 1 1 33 33 TRP N N 15 120.674 0.3 . 1 . . . . . 49 TRP N . 27922 1 93 . 1 1 34 34 ASN H H 1 8.388 0.020 . 1 . . . . . 50 ASN H . 27922 1 94 . 1 1 34 34 ASN CA C 13 55.264 0.3 . 1 . . . . . 50 ASN CA . 27922 1 95 . 1 1 34 34 ASN CB C 13 39.123 0.3 . 1 . . . . . 50 ASN CB . 27922 1 96 . 1 1 34 34 ASN N N 15 119.099 0.3 . 1 . . . . . 50 ASN N . 27922 1 97 . 1 1 35 35 GLU H H 1 8.046 0.020 . 1 . . . . . 51 GLU H . 27922 1 98 . 1 1 35 35 GLU CA C 13 55.335 0.3 . 1 . . . . . 51 GLU CA . 27922 1 99 . 1 1 35 35 GLU CB C 13 30.658 0.3 . 1 . . . . . 51 GLU CB . 27922 1 100 . 1 1 35 35 GLU N N 15 118.645 0.3 . 1 . . . . . 51 GLU N . 27922 1 101 . 1 1 36 36 GLU H H 1 8.723 0.020 . 1 . . . . . 52 GLU H . 27922 1 102 . 1 1 36 36 GLU CA C 13 57.136 0.3 . 1 . . . . . 52 GLU CA . 27922 1 103 . 1 1 36 36 GLU CB C 13 29.478 0.3 . 1 . . . . . 52 GLU CB . 27922 1 104 . 1 1 36 36 GLU N N 15 123.787 0.3 . 1 . . . . . 52 GLU N . 27922 1 105 . 1 1 37 37 SER H H 1 7.659 0.020 . 1 . . . . . 53 SER H . 27922 1 106 . 1 1 37 37 SER CA C 13 57.416 0.3 . 1 . . . . . 53 SER CA . 27922 1 107 . 1 1 37 37 SER CB C 13 65.235 0.3 . 1 . . . . . 53 SER CB . 27922 1 108 . 1 1 37 37 SER N N 15 117.752 0.3 . 1 . . . . . 53 SER N . 27922 1 109 . 1 1 39 39 ASP H H 1 8.479 0.020 . 1 . . . . . 55 ASP H . 27922 1 110 . 1 1 39 39 ASP CA C 13 54.801 0.3 . 1 . . . . . 55 ASP CA . 27922 1 111 . 1 1 39 39 ASP CB C 13 41.027 0.3 . 1 . . . . . 55 ASP CB . 27922 1 112 . 1 1 39 39 ASP N N 15 120.401 0.3 . 1 . . . . . 55 ASP N . 27922 1 113 . 1 1 40 40 ILE H H 1 7.109 0.020 . 1 . . . . . 56 ILE H . 27922 1 114 . 1 1 40 40 ILE CA C 13 60.755 0.3 . 1 . . . . . 56 ILE CA . 27922 1 115 . 1 1 40 40 ILE CB C 13 39.664 0.3 . 1 . . . . . 56 ILE CB . 27922 1 116 . 1 1 40 40 ILE N N 15 121.809 0.3 . 1 . . . . . 56 ILE N . 27922 1 117 . 1 1 41 41 SER H H 1 7.780 0.020 . 1 . . . . . 57 SER H . 27922 1 118 . 1 1 41 41 SER CA C 13 55.161 0.3 . 1 . . . . . 57 SER CA . 27922 1 119 . 1 1 41 41 SER CB C 13 62.333 0.3 . 1 . . . . . 57 SER CB . 27922 1 120 . 1 1 41 41 SER N N 15 121.678 0.3 . 1 . . . . . 57 SER N . 27922 1 121 . 1 1 42 42 TYR H H 1 8.084 0.020 . 1 . . . . . 58 TYR H . 27922 1 122 . 1 1 42 42 TYR CA C 13 60.372 0.3 . 1 . . . . . 58 TYR CA . 27922 1 123 . 1 1 42 42 TYR CB C 13 39.664 0.3 . 1 . . . . . 58 TYR CB . 27922 1 124 . 1 1 42 42 TYR N N 15 126.160 0.3 . 1 . . . . . 58 TYR N . 27922 1 125 . 1 1 43 43 ARG H H 1 9.651 0.020 . 1 . . . . . 59 ARG H . 27922 1 126 . 1 1 43 43 ARG CA C 13 54.412 0.3 . 1 . . . . . 59 ARG CA . 27922 1 127 . 1 1 43 43 ARG CB C 13 30.841 0.3 . 1 . . . . . 59 ARG CB . 27922 1 128 . 1 1 43 43 ARG N N 15 122.981 0.3 . 1 . . . . . 59 ARG N . 27922 1 129 . 1 1 44 44 ASP H H 1 8.729 0.020 . 1 . . . . . 60 ASP H . 27922 1 130 . 1 1 44 44 ASP CA C 13 56.523 0.3 . 1 . . . . . 60 ASP CA . 27922 1 131 . 1 1 44 44 ASP CB C 13 40.453 0.3 . 1 . . . . . 60 ASP CB . 27922 1 132 . 1 1 44 44 ASP N N 15 123.113 0.3 . 1 . . . . . 60 ASP N . 27922 1 133 . 1 1 45 45 PHE H H 1 6.585 0.020 . 1 . . . . . 61 PHE H . 27922 1 134 . 1 1 45 45 PHE CA C 13 55.949 0.3 . 1 . . . . . 61 PHE CA . 27922 1 135 . 1 1 45 45 PHE CB C 13 37.473 0.3 . 1 . . . . . 61 PHE CB . 27922 1 136 . 1 1 45 45 PHE N N 15 112.764 0.3 . 1 . . . . . 61 PHE N . 27922 1 137 . 1 1 46 46 LEU H H 1 6.963 0.020 . 1 . . . . . 62 LEU H . 27922 1 138 . 1 1 46 46 LEU CA C 13 52.003 0.3 . 1 . . . . . 62 LEU CA . 27922 1 139 . 1 1 46 46 LEU CB C 13 44.184 0.3 . 1 . . . . . 62 LEU CB . 27922 1 140 . 1 1 46 46 LEU N N 15 124.036 0.3 . 1 . . . . . 62 LEU N . 27922 1 141 . 1 1 48 48 LYS H H 1 8.928 0.020 . 1 . . . . . 64 LYS H . 27922 1 142 . 1 1 48 48 LYS CA C 13 60.883 0.3 . 1 . . . . . 64 LYS CA . 27922 1 143 . 1 1 48 48 LYS CB C 13 32.308 0.3 . 1 . . . . . 64 LYS CB . 27922 1 144 . 1 1 48 48 LYS N N 15 126.365 0.3 . 1 . . . . . 64 LYS N . 27922 1 145 . 1 1 49 49 ASN H H 1 7.647 0.020 . 1 . . . . . 65 ASN H . 27922 1 146 . 1 1 49 49 ASN CA C 13 51.605 0.3 . 1 . . . . . 65 ASN CA . 27922 1 147 . 1 1 49 49 ASN CB C 13 36.971 0.3 . 1 . . . . . 65 ASN CB . 27922 1 148 . 1 1 49 49 ASN N N 15 110.940 0.3 . 1 . . . . . 65 ASN N . 27922 1 149 . 1 1 50 50 LYS H H 1 6.976 0.020 . 1 . . . . . 66 LYS H . 27922 1 150 . 1 1 50 50 LYS CA C 13 54.559 0.3 . 1 . . . . . 66 LYS CA . 27922 1 151 . 1 1 50 50 LYS CB C 13 32.738 0.3 . 1 . . . . . 66 LYS CB . 27922 1 152 . 1 1 50 50 LYS N N 15 119.231 0.3 . 1 . . . . . 66 LYS N . 27922 1 153 . 1 1 51 51 GLN H H 1 8.489 0.020 . 1 . . . . . 67 GLN H . 27922 1 154 . 1 1 51 51 GLN CA C 13 57.311 0.3 . 1 . . . . . 67 GLN CA . 27922 1 155 . 1 1 51 51 GLN CB C 13 30.586 0.3 . 1 . . . . . 67 GLN CB . 27922 1 156 . 1 1 51 51 GLN N N 15 115.599 0.3 . 1 . . . . . 67 GLN N . 27922 1 157 . 1 1 52 52 PHE H H 1 7.887 0.020 . 1 . . . . . 68 PHE H . 27922 1 158 . 1 1 52 52 PHE CA C 13 56.666 0.3 . 1 . . . . . 68 PHE CA . 27922 1 159 . 1 1 52 52 PHE CB C 13 39.697 0.3 . 1 . . . . . 68 PHE CB . 27922 1 160 . 1 1 52 52 PHE N N 15 112.215 0.3 . 1 . . . . . 68 PHE N . 27922 1 161 . 1 1 53 53 LEU H H 1 8.851 0.020 . 1 . . . . . 69 LEU H . 27922 1 162 . 1 1 53 53 LEU CA C 13 54.309 0.3 . 1 . . . . . 69 LEU CA . 27922 1 163 . 1 1 53 53 LEU CB C 13 46.264 0.3 . 1 . . . . . 69 LEU CB . 27922 1 164 . 1 1 53 53 LEU N N 15 120.997 0.3 . 1 . . . . . 69 LEU N . 27922 1 165 . 1 1 54 54 ILE H H 1 9.438 0.020 . 1 . . . . . 70 ILE H . 27922 1 166 . 1 1 54 54 ILE CA C 13 59.637 0.3 . 1 . . . . . 70 ILE CA . 27922 1 167 . 1 1 54 54 ILE CB C 13 43.466 0.3 . 1 . . . . . 70 ILE CB . 27922 1 168 . 1 1 54 54 ILE N N 15 120.301 0.3 . 1 . . . . . 70 ILE N . 27922 1 169 . 1 1 55 55 ILE H H 1 8.407 0.020 . 1 . . . . . 71 ILE H . 27922 1 170 . 1 1 55 55 ILE CA C 13 60.587 0.3 . 1 . . . . . 71 ILE CA . 27922 1 171 . 1 1 55 55 ILE CB C 13 40.597 0.3 . 1 . . . . . 71 ILE CB . 27922 1 172 . 1 1 55 55 ILE N N 15 128.811 0.3 . 1 . . . . . 71 ILE N . 27922 1 173 . 1 1 56 56 ARG H H 1 7.590 0.020 . 1 . . . . . 72 ARG H . 27922 1 174 . 1 1 56 56 ARG CA C 13 54.068 0.3 . 1 . . . . . 72 ARG CA . 27922 1 175 . 1 1 56 56 ARG CB C 13 32.491 0.3 . 1 . . . . . 72 ARG CB . 27922 1 176 . 1 1 56 56 ARG N N 15 123.245 0.3 . 1 . . . . . 72 ARG N . 27922 1 177 . 1 1 57 57 LYS H H 1 8.850 0.020 . 1 . . . . . 73 LYS H . 27922 1 178 . 1 1 57 57 LYS CA C 13 56.591 0.3 . 1 . . . . . 73 LYS CA . 27922 1 179 . 1 1 57 57 LYS CB C 13 30.051 0.3 . 1 . . . . . 73 LYS CB . 27922 1 180 . 1 1 57 57 LYS N N 15 120.828 0.3 . 1 . . . . . 73 LYS N . 27922 1 181 . 1 1 58 58 VAL H H 1 9.825 0.020 . 1 . . . . . 74 VAL H . 27922 1 182 . 1 1 58 58 VAL CA C 13 60.849 0.3 . 1 . . . . . 74 VAL CA . 27922 1 183 . 1 1 58 58 VAL CB C 13 32.419 0.3 . 1 . . . . . 74 VAL CB . 27922 1 184 . 1 1 58 58 VAL N N 15 125.911 0.3 . 1 . . . . . 74 VAL N . 27922 1 185 . 1 1 60 60 ALA H H 1 7.875 0.020 . 1 . . . . . 76 ALA H . 27922 1 186 . 1 1 60 60 ALA CA C 13 50.597 0.3 . 1 . . . . . 76 ALA CA . 27922 1 187 . 1 1 60 60 ALA CB C 13 21.013 0.3 . 1 . . . . . 76 ALA CB . 27922 1 188 . 1 1 60 60 ALA N N 15 122.747 0.3 . 1 . . . . . 76 ALA N . 27922 1 189 . 1 1 61 61 ASP H H 1 8.495 0.020 . 1 . . . . . 77 ASP H . 27922 1 190 . 1 1 61 61 ASP CA C 13 54.650 0.3 . 1 . . . . . 77 ASP CA . 27922 1 191 . 1 1 61 61 ASP CB C 13 41.529 0.3 . 1 . . . . . 77 ASP CB . 27922 1 192 . 1 1 61 61 ASP N N 15 122.249 0.3 . 1 . . . . . 77 ASP N . 27922 1 193 . 1 1 62 62 LYS H H 1 8.165 0.020 . 1 . . . . . 78 LYS H . 27922 1 194 . 1 1 62 62 LYS CA C 13 55.885 0.3 . 1 . . . . . 78 LYS CA . 27922 1 195 . 1 1 62 62 LYS CB C 13 33.158 0.3 . 1 . . . . . 78 LYS CB . 27922 1 196 . 1 1 62 62 LYS N N 15 121.593 0.3 . 1 . . . . . 78 LYS N . 27922 1 197 . 1 1 63 63 ARG H H 1 8.412 0.020 . 1 . . . . . 79 ARG H . 27922 1 198 . 1 1 63 63 ARG CA C 13 55.805 0.3 . 1 . . . . . 79 ARG CA . 27922 1 199 . 1 1 63 63 ARG CB C 13 31.271 0.3 . 1 . . . . . 79 ARG CB . 27922 1 200 . 1 1 63 63 ARG N N 15 122.387 0.3 . 1 . . . . . 79 ARG N . 27922 1 201 . 1 1 64 64 ALA H H 1 8.255 0.020 . 1 . . . . . 80 ALA H . 27922 1 202 . 1 1 64 64 ALA CA C 13 53.581 0.3 . 1 . . . . . 80 ALA CA . 27922 1 203 . 1 1 64 64 ALA CB C 13 18.932 0.3 . 1 . . . . . 80 ALA CB . 27922 1 204 . 1 1 64 64 ALA N N 15 124.446 0.3 . 1 . . . . . 80 ALA N . 27922 1 205 . 1 1 65 65 GLU H H 1 8.229 0.020 . 1 . . . . . 81 GLU H . 27922 1 206 . 1 1 65 65 GLU CA C 13 56.656 0.3 . 1 . . . . . 81 GLU CA . 27922 1 207 . 1 1 65 65 GLU CB C 13 30.156 0.3 . 1 . . . . . 81 GLU CB . 27922 1 208 . 1 1 65 65 GLU N N 15 119.070 0.3 . 1 . . . . . 81 GLU N . 27922 1 209 . 1 1 66 66 GLN H H 1 8.141 0.020 . 1 . . . . . 82 GLN H . 27922 1 210 . 1 1 66 66 GLN CA C 13 56.114 0.3 . 1 . . . . . 82 GLN CA . 27922 1 211 . 1 1 66 66 GLN CB C 13 29.549 0.3 . 1 . . . . . 82 GLN CB . 27922 1 212 . 1 1 66 66 GLN N N 15 121.018 0.3 . 1 . . . . . 82 GLN N . 27922 1 213 . 1 1 67 67 ALA H H 1 8.248 0.020 . 1 . . . . . 83 ALA H . 27922 1 214 . 1 1 67 67 ALA CA C 13 52.577 0.3 . 1 . . . . . 83 ALA CA . 27922 1 215 . 1 1 67 67 ALA CB C 13 19.147 0.3 . 1 . . . . . 83 ALA CB . 27922 1 216 . 1 1 67 67 ALA N N 15 126.028 0.3 . 1 . . . . . 83 ALA N . 27922 1 217 . 1 1 68 68 VAL H H 1 7.963 0.020 . 1 . . . . . 84 VAL H . 27922 1 218 . 1 1 68 68 VAL CA C 13 62.978 0.3 . 1 . . . . . 84 VAL CA . 27922 1 219 . 1 1 68 68 VAL CB C 13 32.667 0.3 . 1 . . . . . 84 VAL CB . 27922 1 220 . 1 1 68 68 VAL N N 15 119.407 0.3 . 1 . . . . . 84 VAL N . 27922 1 221 . 1 1 69 69 GLU H H 1 8.381 0.020 . 1 . . . . . 85 GLU H . 27922 1 222 . 1 1 69 69 GLU CA C 13 56.666 0.3 . 1 . . . . . 85 GLU CA . 27922 1 223 . 1 1 69 69 GLU CB C 13 30.051 0.3 . 1 . . . . . 85 GLU CB . 27922 1 224 . 1 1 69 69 GLU N N 15 123.245 0.3 . 1 . . . . . 85 GLU N . 27922 1 225 . 1 1 70 70 ALA H H 1 8.103 0.020 . 1 . . . . . 160 ALA H . 27922 1 226 . 1 1 70 70 ALA CA C 13 52.954 0.3 . 1 . . . . . 160 ALA CA . 27922 1 227 . 1 1 70 70 ALA CB C 13 19.147 0.3 . 1 . . . . . 160 ALA CB . 27922 1 228 . 1 1 70 70 ALA N N 15 125.471 0.3 . 1 . . . . . 160 ALA N . 27922 1 229 . 1 1 71 71 LYS H H 1 8.204 0.020 . 1 . . . . . 161 LYS H . 27922 1 230 . 1 1 71 71 LYS CA C 13 57.102 0.3 . 1 . . . . . 161 LYS CA . 27922 1 231 . 1 1 71 71 LYS CB C 13 32.706 0.3 . 1 . . . . . 161 LYS CB . 27922 1 232 . 1 1 71 71 LYS N N 15 120.506 0.3 . 1 . . . . . 161 LYS N . 27922 1 233 . 1 1 72 72 ASP H H 1 8.153 0.020 . 1 . . . . . 162 ASP H . 27922 1 234 . 1 1 72 72 ASP CA C 13 54.514 0.3 . 1 . . . . . 162 ASP CA . 27922 1 235 . 1 1 72 72 ASP CB C 13 41.099 0.3 . 1 . . . . . 162 ASP CB . 27922 1 236 . 1 1 72 72 ASP N N 15 120.638 0.3 . 1 . . . . . 162 ASP N . 27922 1 237 . 1 1 73 73 MET H H 1 8.088 0.020 . 1 . . . . . 163 MET H . 27922 1 238 . 1 1 73 73 MET CA C 13 55.805 0.3 . 1 . . . . . 163 MET CA . 27922 1 239 . 1 1 73 73 MET CB C 13 32.921 0.3 . 1 . . . . . 163 MET CB . 27922 1 240 . 1 1 73 73 MET N N 15 121.194 0.3 . 1 . . . . . 163 MET N . 27922 1 241 . 1 1 74 74 ALA H H 1 8.261 0.020 . 1 . . . . . 164 ALA H . 27922 1 242 . 1 1 74 74 ALA CA C 13 52.758 0.3 . 1 . . . . . 164 ALA CA . 27922 1 243 . 1 1 74 74 ALA CB C 13 19.147 0.3 . 1 . . . . . 164 ALA CB . 27922 1 244 . 1 1 74 74 ALA N N 15 125.457 0.3 . 1 . . . . . 164 ALA N . 27922 1 245 . 1 1 75 75 GLN H H 1 8.198 0.020 . 1 . . . . . 165 GLN H . 27922 1 246 . 1 1 75 75 GLN CA C 13 55.837 0.3 . 1 . . . . . 165 GLN CA . 27922 1 247 . 1 1 75 75 GLN CB C 13 29.869 0.3 . 1 . . . . . 165 GLN CB . 27922 1 248 . 1 1 75 75 GLN N N 15 120.081 0.3 . 1 . . . . . 165 GLN N . 27922 1 249 . 1 1 76 76 GLU H H 1 8.438 0.020 . 1 . . . . . 166 GLU H . 27922 1 250 . 1 1 76 76 GLU CA C 13 57.272 0.3 . 1 . . . . . 166 GLU CA . 27922 1 251 . 1 1 76 76 GLU CB C 13 30.338 0.3 . 1 . . . . . 166 GLU CB . 27922 1 252 . 1 1 76 76 GLU N N 15 123.626 0.3 . 1 . . . . . 166 GLU N . 27922 1 253 . 1 1 77 77 ARG H H 1 7.900 0.020 . 1 . . . . . 167 ARG H . 27922 1 254 . 1 1 77 77 ARG CA C 13 54.657 0.3 . 1 . . . . . 167 ARG CA . 27922 1 255 . 1 1 77 77 ARG CB C 13 34.786 0.3 . 1 . . . . . 167 ARG CB . 27922 1 256 . 1 1 77 77 ARG N N 15 121.267 0.3 . 1 . . . . . 167 ARG N . 27922 1 257 . 1 1 78 78 TYR H H 1 8.381 0.020 . 1 . . . . . 168 TYR H . 27922 1 258 . 1 1 78 78 TYR CA C 13 56.625 0.3 . 1 . . . . . 168 TYR CA . 27922 1 259 . 1 1 78 78 TYR CB C 13 42.175 0.3 . 1 . . . . . 168 TYR CB . 27922 1 260 . 1 1 78 78 TYR N N 15 117.649 0.3 . 1 . . . . . 168 TYR N . 27922 1 261 . 1 1 79 79 TYR H H 1 9.781 0.020 . 1 . . . . . 169 TYR H . 27922 1 262 . 1 1 79 79 TYR CA C 13 57.868 0.3 . 1 . . . . . 169 TYR CA . 27922 1 263 . 1 1 79 79 TYR CB C 13 43.251 0.3 . 1 . . . . . 169 TYR CB . 27922 1 264 . 1 1 79 79 TYR N N 15 121.260 0.3 . 1 . . . . . 169 TYR N . 27922 1 265 . 1 1 80 80 ASP H H 1 9.502 0.020 . 1 . . . . . 170 ASP H . 27922 1 266 . 1 1 80 80 ASP CA C 13 53.294 0.3 . 1 . . . . . 170 ASP CA . 27922 1 267 . 1 1 80 80 ASP CB C 13 41.673 0.3 . 1 . . . . . 170 ASP CB . 27922 1 268 . 1 1 80 80 ASP N N 15 123.772 0.3 . 1 . . . . . 170 ASP N . 27922 1 269 . 1 1 81 81 LEU H H 1 8.437 0.020 . 1 . . . . . 171 LEU H . 27922 1 270 . 1 1 81 81 LEU CA C 13 53.347 0.3 . 1 . . . . . 171 LEU CA . 27922 1 271 . 1 1 81 81 LEU CB C 13 43.333 0.3 . 1 . . . . . 171 LEU CB . 27922 1 272 . 1 1 81 81 LEU N N 15 120.985 0.3 . 1 . . . . . 171 LEU N . 27922 1 273 . 1 1 82 82 TYR H H 1 9.353 0.020 . 1 . . . . . 172 TYR H . 27922 1 274 . 1 1 82 82 TYR CA C 13 55.772 0.3 . 1 . . . . . 172 TYR CA . 27922 1 275 . 1 1 82 82 TYR CB C 13 43.215 0.3 . 1 . . . . . 172 TYR CB . 27922 1 276 . 1 1 82 82 TYR N N 15 118.158 0.3 . 1 . . . . . 172 TYR N . 27922 1 277 . 1 1 83 83 ILE H H 1 9.432 0.020 . 1 . . . . . 173 ILE H . 27922 1 278 . 1 1 83 83 ILE CA C 13 61.325 0.3 . 1 . . . . . 173 ILE CA . 27922 1 279 . 1 1 83 83 ILE CB C 13 41.716 0.3 . 1 . . . . . 173 ILE CB . 27922 1 280 . 1 1 83 83 ILE N N 15 120.930 0.3 . 1 . . . . . 173 ILE N . 27922 1 281 . 1 1 85 85 TYR H H 1 8.758 0.020 . 1 . . . . . 175 TYR H . 27922 1 282 . 1 1 85 85 TYR CA C 13 58.294 0.3 . 1 . . . . . 175 TYR CA . 27922 1 283 . 1 1 85 85 TYR N N 15 121.622 0.3 . 1 . . . . . 175 TYR N . 27922 1 284 . 1 1 86 86 SER H H 1 7.685 0.020 . 1 . . . . . 176 SER H . 27922 1 285 . 1 1 86 86 SER N N 15 122.537 0.3 . 1 . . . . . 176 SER N . 27922 1 286 . 1 1 87 87 THR H H 1 8.461 0.020 . 1 . . . . . 177 THR H . 27922 1 287 . 1 1 87 87 THR N N 15 122.634 0.3 . 1 . . . . . 177 THR N . 27922 1 288 . 1 1 89 89 TYR H H 1 7.121 0.020 . 1 . . . . . 179 TYR H . 27922 1 289 . 1 1 89 89 TYR N N 15 116.580 0.3 . 1 . . . . . 179 TYR N . 27922 1 290 . 1 1 90 90 ARG H H 1 7.931 0.020 . 1 . . . . . 180 ARG H . 27922 1 291 . 1 1 90 90 ARG N N 15 119.248 0.3 . 1 . . . . . 180 ARG N . 27922 1 292 . 1 1 91 91 VAL H H 1 6.683 0.020 . 1 . . . . . 181 VAL H . 27922 1 293 . 1 1 91 91 VAL CA C 13 57.559 0.3 . 1 . . . . . 181 VAL CA . 27922 1 294 . 1 1 91 91 VAL CB C 13 34.675 0.3 . 1 . . . . . 181 VAL CB . 27922 1 295 . 1 1 91 91 VAL N N 15 106.956 0.3 . 1 . . . . . 181 VAL N . 27922 1 296 . 1 1 96 96 ILE H H 1 9.432 0.020 . 1 . . . . . 186 ILE H . 27922 1 297 . 1 1 96 96 ILE CA C 13 60.063 0.3 . 1 . . . . . 186 ILE CA . 27922 1 298 . 1 1 96 96 ILE CB C 13 39.664 0.3 . 1 . . . . . 186 ILE CB . 27922 1 299 . 1 1 96 96 ILE N N 15 119.305 0.3 . 1 . . . . . 186 ILE N . 27922 1 300 . 1 1 97 97 VAL H H 1 8.995 0.020 . 1 . . . . . 187 VAL H . 27922 1 301 . 1 1 97 97 VAL CA C 13 62.960 0.3 . 1 . . . . . 187 VAL CA . 27922 1 302 . 1 1 97 97 VAL CB C 13 35.145 0.3 . 1 . . . . . 187 VAL CB . 27922 1 303 . 1 1 97 97 VAL N N 15 124.212 0.3 . 1 . . . . . 187 VAL N . 27922 1 304 . 1 1 98 98 GLY H H 1 7.723 0.020 . 1 . . . . . 188 GLY H . 27922 1 305 . 1 1 98 98 GLY CA C 13 45.191 0.3 . 1 . . . . . 188 GLY CA . 27922 1 306 . 1 1 98 98 GLY N N 15 114.646 0.3 . 1 . . . . . 188 GLY N . 27922 1 307 . 1 1 99 99 PHE H H 1 8.983 0.020 . 1 . . . . . 189 PHE H . 27922 1 308 . 1 1 99 99 PHE CA C 13 57.307 0.3 . 1 . . . . . 189 PHE CA . 27922 1 309 . 1 1 99 99 PHE CB C 13 43.179 0.3 . 1 . . . . . 189 PHE CB . 27922 1 310 . 1 1 99 99 PHE N N 15 120.857 0.3 . 1 . . . . . 189 PHE N . 27922 1 311 . 1 1 100 100 ASN H H 1 8.660 0.020 . 1 . . . . . 190 ASN H . 27922 1 312 . 1 1 100 100 ASN CA C 13 52.538 0.3 . 1 . . . . . 190 ASN CA . 27922 1 313 . 1 1 100 100 ASN CB C 13 39.912 0.3 . 1 . . . . . 190 ASN CB . 27922 1 314 . 1 1 100 100 ASN N N 15 117.986 0.3 . 1 . . . . . 190 ASN N . 27922 1 315 . 1 1 101 101 SER H H 1 8.504 0.020 . 1 . . . . . 191 SER H . 27922 1 316 . 1 1 101 101 SER CA C 13 61.668 0.3 . 1 . . . . . 191 SER CA . 27922 1 317 . 1 1 101 101 SER N N 15 116.091 0.3 . 1 . . . . . 191 SER N . 27922 1 318 . 1 1 102 102 ASN H H 1 7.792 0.020 . 1 . . . . . 192 ASN H . 27922 1 319 . 1 1 102 102 ASN CA C 13 52.825 0.3 . 1 . . . . . 192 ASN CA . 27922 1 320 . 1 1 102 102 ASN CB C 13 38.190 0.3 . 1 . . . . . 192 ASN CB . 27922 1 321 . 1 1 102 102 ASN N N 15 118.074 0.3 . 1 . . . . . 192 ASN N . 27922 1 322 . 1 1 103 103 GLY H H 1 8.318 0.020 . 1 . . . . . 193 GLY H . 27922 1 323 . 1 1 103 103 GLY CA C 13 45.508 0.3 . 1 . . . . . 193 GLY CA . 27922 1 324 . 1 1 103 103 GLY N N 15 109.227 0.3 . 1 . . . . . 193 GLY N . 27922 1 325 . 1 1 104 104 SER H H 1 7.995 0.020 . 1 . . . . . 194 SER H . 27922 1 326 . 1 1 104 104 SER CA C 13 56.412 0.3 . 1 . . . . . 194 SER CA . 27922 1 327 . 1 1 104 104 SER CB C 13 63.011 0.3 . 1 . . . . . 194 SER CB . 27922 1 328 . 1 1 104 104 SER N N 15 118.792 0.3 . 1 . . . . . 194 SER N . 27922 1 329 . 1 1 106 106 LEU H H 1 7.837 0.020 . 1 . . . . . 196 LEU H . 27922 1 330 . 1 1 106 106 LEU CA C 13 53.730 0.3 . 1 . . . . . 196 LEU CA . 27922 1 331 . 1 1 106 106 LEU CB C 13 42.247 0.3 . 1 . . . . . 196 LEU CB . 27922 1 332 . 1 1 106 106 LEU N N 15 122.989 0.3 . 1 . . . . . 196 LEU N . 27922 1 333 . 1 1 107 107 SER H H 1 9.027 0.020 . 1 . . . . . 197 SER H . 27922 1 334 . 1 1 107 107 SER CA C 13 56.656 0.3 . 1 . . . . . 197 SER CA . 27922 1 335 . 1 1 107 107 SER CB C 13 62.922 0.3 . 1 . . . . . 197 SER CB . 27922 1 336 . 1 1 107 107 SER N N 15 119.993 0.3 . 1 . . . . . 197 SER N . 27922 1 337 . 1 1 109 109 GLU H H 1 8.588 0.020 . 1 . . . . . 199 GLU H . 27922 1 338 . 1 1 109 109 GLU CA C 13 60.915 0.3 . 1 . . . . . 199 GLU CA . 27922 1 339 . 1 1 109 109 GLU CB C 13 28.649 0.3 . 1 . . . . . 199 GLU CB . 27922 1 340 . 1 1 109 109 GLU N N 15 116.009 0.3 . 1 . . . . . 199 GLU N . 27922 1 341 . 1 1 110 110 GLN H H 1 7.625 0.020 . 1 . . . . . 200 GLN H . 27922 1 342 . 1 1 110 110 GLN CA C 13 58.805 0.3 . 1 . . . . . 200 GLN CA . 27922 1 343 . 1 1 110 110 GLN CB C 13 29.869 0.3 . 1 . . . . . 200 GLN CB . 27922 1 344 . 1 1 110 110 GLN N N 15 119.166 0.3 . 1 . . . . . 200 GLN N . 27922 1 345 . 1 1 111 111 MET H H 1 7.995 0.020 . 1 . . . . . 201 MET H . 27922 1 346 . 1 1 111 111 MET CA C 13 59.473 0.3 . 1 . . . . . 201 MET CA . 27922 1 347 . 1 1 111 111 MET N N 15 120.286 0.3 . 1 . . . . . 201 MET N . 27922 1 348 . 1 1 112 112 PHE H H 1 8.198 0.020 . 1 . . . . . 202 PHE H . 27922 1 349 . 1 1 112 112 PHE CA C 13 60.882 0.3 . 1 . . . . . 202 PHE CA . 27922 1 350 . 1 1 112 112 PHE CB C 13 38.947 0.3 . 1 . . . . . 202 PHE CB . 27922 1 351 . 1 1 112 112 PHE N N 15 117.649 0.3 . 1 . . . . . 202 PHE N . 27922 1 352 . 1 1 113 113 GLU H H 1 7.343 0.020 . 1 . . . . . 203 GLU H . 27922 1 353 . 1 1 113 113 GLU CA C 13 58.425 0.3 . 1 . . . . . 203 GLU CA . 27922 1 354 . 1 1 113 113 GLU CB C 13 30.195 0.3 . 1 . . . . . 203 GLU CB . 27922 1 355 . 1 1 113 113 GLU N N 15 116.199 0.3 . 1 . . . . . 203 GLU N . 27922 1 356 . 1 1 114 114 ASP H H 1 7.619 0.020 . 1 . . . . . 204 ASP H . 27922 1 357 . 1 1 114 114 ASP CA C 13 55.346 0.3 . 1 . . . . . 204 ASP CA . 27922 1 358 . 1 1 114 114 ASP CB C 13 40.023 0.3 . 1 . . . . . 204 ASP CB . 27922 1 359 . 1 1 114 114 ASP N N 15 117.554 0.3 . 1 . . . . . 204 ASP N . 27922 1 360 . 1 1 115 115 ILE H H 1 7.317 0.020 . 1 . . . . . 205 ILE H . 27922 1 361 . 1 1 115 115 ILE CA C 13 58.635 0.3 . 1 . . . . . 205 ILE CA . 27922 1 362 . 1 1 115 115 ILE CB C 13 38.168 0.3 . 1 . . . . . 205 ILE CB . 27922 1 363 . 1 1 115 115 ILE N N 15 121.463 0.3 . 1 . . . . . 205 ILE N . 27922 1 364 . 1 1 116 116 SER H H 1 8.771 0.020 . 1 . . . . . 206 SER H . 27922 1 365 . 1 1 116 116 SER CA C 13 59.244 0.3 . 1 . . . . . 206 SER CA . 27922 1 366 . 1 1 116 116 SER N N 15 122.425 0.3 . 1 . . . . . 206 SER N . 27922 1 367 . 1 1 117 117 ALA H H 1 9.032 0.020 . 1 . . . . . 207 ALA H . 27922 1 368 . 1 1 117 117 ALA N N 15 130.349 0.3 . 1 . . . . . 207 ALA N . 27922 1 369 . 1 1 118 118 ASP H H 1 8.470 0.020 . 1 . . . . . 208 ASP H . 27922 1 370 . 1 1 118 118 ASP CA C 13 56.353 0.3 . 1 . . . . . 208 ASP CA . 27922 1 371 . 1 1 118 118 ASP CB C 13 40.238 0.3 . 1 . . . . . 208 ASP CB . 27922 1 372 . 1 1 118 118 ASP N N 15 116.595 0.3 . 1 . . . . . 208 ASP N . 27922 1 373 . 1 1 124 124 ALA H H 1 7.694 0.020 . 1 . . . . . 214 ALA H . 27922 1 374 . 1 1 124 124 ALA CA C 13 51.546 0.3 . 1 . . . . . 214 ALA CA . 27922 1 375 . 1 1 124 124 ALA N N 15 127.001 0.3 . 1 . . . . . 214 ALA N . 27922 1 376 . 1 1 126 126 ILE H H 1 8.622 0.020 . 1 . . . . . 216 ILE H . 27922 1 377 . 1 1 126 126 ILE CA C 13 61.504 0.3 . 1 . . . . . 216 ILE CA . 27922 1 378 . 1 1 126 126 ILE CB C 13 37.727 0.3 . 1 . . . . . 216 ILE CB . 27922 1 379 . 1 1 126 126 ILE N N 15 125.896 0.3 . 1 . . . . . 216 ILE N . 27922 1 380 . 1 1 127 127 GLU H H 1 8.685 0.020 . 1 . . . . . 217 GLU H . 27922 1 381 . 1 1 127 127 GLU CA C 13 55.231 0.3 . 1 . . . . . 217 GLU CA . 27922 1 382 . 1 1 127 127 GLU CB C 13 33.997 0.3 . 1 . . . . . 217 GLU CB . 27922 1 383 . 1 1 127 127 GLU N N 15 126.306 0.3 . 1 . . . . . 217 GLU N . 27922 1 384 . 1 1 128 128 LYS H H 1 8.679 0.020 . 1 . . . . . 218 LYS H . 27922 1 385 . 1 1 128 128 LYS CA C 13 55.805 0.3 . 1 . . . . . 218 LYS CA . 27922 1 386 . 1 1 128 128 LYS CB C 13 32.347 0.3 . 1 . . . . . 218 LYS CB . 27922 1 387 . 1 1 128 128 LYS N N 15 124.256 0.3 . 1 . . . . . 218 LYS N . 27922 1 388 . 1 1 129 129 LEU H H 1 8.332 0.020 . 1 . . . . . 219 LEU H . 27922 1 389 . 1 1 129 129 LEU N N 15 122.998 0.3 . 1 . . . . . 219 LEU N . 27922 1 390 . 1 1 132 132 TYR H H 1 6.406 0.020 . 1 . . . . . 222 TYR H . 27922 1 391 . 1 1 132 132 TYR CA C 13 56.034 0.3 . 1 . . . . . 222 TYR CA . 27922 1 392 . 1 1 132 132 TYR CB C 13 41.314 0.3 . 1 . . . . . 222 TYR CB . 27922 1 393 . 1 1 132 132 TYR N N 15 117.752 0.3 . 1 . . . . . 222 TYR N . 27922 1 394 . 1 1 133 133 LYS H H 1 8.388 0.020 . 1 . . . . . 223 LYS H . 27922 1 395 . 1 1 133 133 LYS CA C 13 58.839 0.3 . 1 . . . . . 223 LYS CA . 27922 1 396 . 1 1 133 133 LYS CB C 13 32.993 0.3 . 1 . . . . . 223 LYS CB . 27922 1 397 . 1 1 133 133 LYS N N 15 120.945 0.3 . 1 . . . . . 223 LYS N . 27922 1 398 . 1 1 134 134 ASN H H 1 8.338 0.020 . 1 . . . . . 224 ASN H . 27922 1 399 . 1 1 134 134 ASN CA C 13 52.504 0.3 . 1 . . . . . 224 ASN CA . 27922 1 400 . 1 1 134 134 ASN N N 15 118.057 0.3 . 1 . . . . . 224 ASN N . 27922 1 401 . 1 1 135 135 SER H H 1 8.236 0.020 . 1 . . . . . 225 SER H . 27922 1 402 . 1 1 135 135 SER CA C 13 58.785 0.3 . 1 . . . . . 225 SER CA . 27922 1 403 . 1 1 135 135 SER CB C 13 63.409 0.3 . 1 . . . . . 225 SER CB . 27922 1 404 . 1 1 135 135 SER N N 15 116.683 0.3 . 1 . . . . . 225 SER N . 27922 1 405 . 1 1 136 136 VAL H H 1 8.552 0.020 . 1 . . . . . 226 VAL H . 27922 1 406 . 1 1 136 136 VAL CA C 13 61.504 0.3 . 1 . . . . . 226 VAL CA . 27922 1 407 . 1 1 136 136 VAL CB C 13 34.284 0.3 . 1 . . . . . 226 VAL CB . 27922 1 408 . 1 1 136 136 VAL N N 15 128.709 0.3 . 1 . . . . . 226 VAL N . 27922 1 409 . 1 1 137 137 LEU H H 1 8.293 0.020 . 1 . . . . . 227 LEU H . 27922 1 410 . 1 1 137 137 LEU CA C 13 56.165 0.3 . 1 . . . . . 227 LEU CA . 27922 1 411 . 1 1 137 137 LEU CB C 13 42.749 0.3 . 1 . . . . . 227 LEU CB . 27922 1 412 . 1 1 137 137 LEU N N 15 127.053 0.3 . 1 . . . . . 227 LEU N . 27922 1 413 . 1 1 138 138 SER H H 1 7.979 0.020 . 1 . . . . . 228 SER H . 27922 1 414 . 1 1 138 138 SER CA C 13 56.984 0.3 . 1 . . . . . 228 SER CA . 27922 1 415 . 1 1 138 138 SER CB C 13 62.638 0.3 . 1 . . . . . 228 SER CB . 27922 1 416 . 1 1 138 138 SER N N 15 117.681 0.3 . 1 . . . . . 228 SER N . 27922 1 417 . 1 1 156 156 LYS H H 1 7.424 0.020 . 1 . . . . . 246 LYS H . 27922 1 418 . 1 1 156 156 LYS N N 15 116.842 0.3 . 1 . . . . . 246 LYS N . 27922 1 419 . 1 1 157 157 VAL H H 1 7.438 0.020 . 1 . . . . . 247 VAL H . 27922 1 420 . 1 1 157 157 VAL CA C 13 62.150 0.3 . 1 . . . . . 247 VAL CA . 27922 1 421 . 1 1 157 157 VAL CB C 13 32.667 0.3 . 1 . . . . . 247 VAL CB . 27922 1 422 . 1 1 157 157 VAL N N 15 118.924 0.3 . 1 . . . . . 247 VAL N . 27922 1 423 . 1 1 158 158 ASP H H 1 8.267 0.020 . 1 . . . . . 279 ASP H . 27922 1 424 . 1 1 158 158 ASP CA C 13 55.551 0.3 . 1 . . . . . 279 ASP CA . 27922 1 425 . 1 1 158 158 ASP CB C 13 41.526 0.3 . 1 . . . . . 279 ASP CB . 27922 1 426 . 1 1 158 158 ASP N N 15 124.785 0.3 . 1 . . . . . 279 ASP N . 27922 1 427 . 1 1 159 159 SER H H 1 8.058 0.020 . 1 . . . . . 280 SER H . 27922 1 428 . 1 1 159 159 SER CA C 13 58.491 0.3 . 1 . . . . . 280 SER CA . 27922 1 429 . 1 1 159 159 SER CB C 13 63.266 0.3 . 1 . . . . . 280 SER CB . 27922 1 430 . 1 1 159 159 SER N N 15 114.734 0.3 . 1 . . . . . 280 SER N . 27922 1 431 . 1 1 160 160 LEU H H 1 7.818 0.020 . 1 . . . . . 281 LEU H . 27922 1 432 . 1 1 160 160 LEU CA C 13 55.446 0.3 . 1 . . . . . 281 LEU CA . 27922 1 433 . 1 1 160 160 LEU CB C 13 43.395 0.3 . 1 . . . . . 281 LEU CB . 27922 1 434 . 1 1 160 160 LEU N N 15 123.684 0.3 . 1 . . . . . 281 LEU N . 27922 1 435 . 1 1 161 161 ARG H H 1 8.122 0.020 . 1 . . . . . 282 ARG H . 27922 1 436 . 1 1 161 161 ARG CA C 13 54.801 0.3 . 1 . . . . . 282 ARG CA . 27922 1 437 . 1 1 161 161 ARG CB C 13 32.634 0.3 . 1 . . . . . 282 ARG CB . 27922 1 438 . 1 1 161 161 ARG N N 15 122.659 0.3 . 1 . . . . . 282 ARG N . 27922 1 439 . 1 1 162 162 VAL H H 1 8.558 0.020 . 1 . . . . . 283 VAL H . 27922 1 440 . 1 1 162 162 VAL CA C 13 58.158 0.3 . 1 . . . . . 283 VAL CA . 27922 1 441 . 1 1 162 162 VAL CB C 13 29.980 0.3 . 1 . . . . . 283 VAL CB . 27922 1 442 . 1 1 162 162 VAL N N 15 123.966 0.3 . 1 . . . . . 283 VAL N . 27922 1 443 . 1 1 163 163 ASP H H 1 7.856 0.020 . 1 . . . . . 284 ASP H . 27922 1 444 . 1 1 163 163 ASP CA C 13 55.662 0.3 . 1 . . . . . 284 ASP CA . 27922 1 445 . 1 1 163 163 ASP CB C 13 38.947 0.3 . 1 . . . . . 284 ASP CB . 27922 1 446 . 1 1 163 163 ASP N N 15 116.548 0.3 . 1 . . . . . 284 ASP N . 27922 1 447 . 1 1 164 164 GLN H H 1 7.400 0.020 . 1 . . . . . 285 GLN H . 27922 1 448 . 1 1 164 164 GLN CA C 13 55.870 0.3 . 1 . . . . . 285 GLN CA . 27922 1 449 . 1 1 164 164 GLN CB C 13 29.478 0.3 . 1 . . . . . 285 GLN CB . 27922 1 450 . 1 1 164 164 GLN N N 15 114.368 0.3 . 1 . . . . . 285 GLN N . 27922 1 451 . 1 1 165 165 TYR H H 1 8.008 0.020 . 1 . . . . . 286 TYR H . 27922 1 452 . 1 1 165 165 TYR CA C 13 54.446 0.3 . 1 . . . . . 286 TYR CA . 27922 1 453 . 1 1 165 165 TYR N N 15 120.960 0.3 . 1 . . . . . 286 TYR N . 27922 1 454 . 1 1 166 166 LEU H H 1 8.460 0.020 . 1 . . . . . 287 LEU H . 27922 1 455 . 1 1 166 166 LEU N N 15 112.541 0.3 . 1 . . . . . 287 LEU N . 27922 1 456 . 1 1 167 167 ILE H H 1 7.292 0.020 . 1 . . . . . 288 ILE H . 27922 1 457 . 1 1 167 167 ILE CA C 13 64.220 0.3 . 1 . . . . . 288 ILE CA . 27922 1 458 . 1 1 167 167 ILE CB C 13 36.795 0.3 . 1 . . . . . 288 ILE CB . 27922 1 459 . 1 1 167 167 ILE N N 15 120.945 0.3 . 1 . . . . . 288 ILE N . 27922 1 460 . 1 1 168 168 VAL H H 1 7.099 0.020 . 1 . . . . . 289 VAL H . 27922 1 461 . 1 1 168 168 VAL CA C 13 66.680 0.3 . 1 . . . . . 289 VAL CA . 27922 1 462 . 1 1 168 168 VAL N N 15 119.934 0.3 . 1 . . . . . 289 VAL N . 27922 1 463 . 1 1 169 169 PHE H H 1 8.035 0.020 . 1 . . . . . 290 PHE H . 27922 1 464 . 1 1 169 169 PHE N N 15 120.911 0.3 . 1 . . . . . 290 PHE N . 27922 1 465 . 1 1 170 170 LEU H H 1 8.312 0.020 . 1 . . . . . 291 LEU H . 27922 1 466 . 1 1 170 170 LEU CA C 13 57.715 0.3 . 1 . . . . . 291 LEU CA . 27922 1 467 . 1 1 170 170 LEU CB C 13 41.060 0.3 . 1 . . . . . 291 LEU CB . 27922 1 468 . 1 1 170 170 LEU N N 15 120.096 0.3 . 1 . . . . . 291 LEU N . 27922 1 469 . 1 1 171 171 LYS H H 1 7.747 0.020 . 1 . . . . . 292 LYS H . 27922 1 470 . 1 1 171 171 LYS N N 15 121.745 0.3 . 1 . . . . . 292 LYS N . 27922 1 471 . 1 1 172 172 PHE H H 1 7.456 0.020 . 1 . . . . . 293 PHE H . 27922 1 472 . 1 1 172 172 PHE N N 15 121.917 0.3 . 1 . . . . . 293 PHE N . 27922 1 473 . 1 1 174 174 THR H H 1 7.873 0.020 . 1 . . . . . 295 THR H . 27922 1 474 . 1 1 174 174 THR CA C 13 65.730 0.3 . 1 . . . . . 295 THR CA . 27922 1 475 . 1 1 174 174 THR N N 15 114.598 0.3 . 1 . . . . . 295 THR N . 27922 1 476 . 1 1 175 175 SER H H 1 7.158 0.020 . 1 . . . . . 296 SER H . 27922 1 477 . 1 1 175 175 SER CA C 13 60.917 0.3 . 1 . . . . . 296 SER CA . 27922 1 478 . 1 1 175 175 SER N N 15 116.423 0.3 . 1 . . . . . 296 SER N . 27922 1 479 . 1 1 179 179 SER H H 1 8.445 0.020 . 1 . . . . . 300 SER H . 27922 1 480 . 1 1 179 179 SER CA C 13 58.785 0.3 . 1 . . . . . 300 SER CA . 27922 1 481 . 1 1 179 179 SER N N 15 113.252 0.3 . 1 . . . . . 300 SER N . 27922 1 482 . 1 1 180 180 ILE H H 1 7.369 0.020 . 1 . . . . . 301 ILE H . 27922 1 483 . 1 1 180 180 ILE CA C 13 62.764 0.3 . 1 . . . . . 301 ILE CA . 27922 1 484 . 1 1 180 180 ILE CB C 13 37.832 0.3 . 1 . . . . . 301 ILE CB . 27922 1 485 . 1 1 180 180 ILE N N 15 123.820 0.3 . 1 . . . . . 301 ILE N . 27922 1 486 . 1 1 181 181 GLN H H 1 8.418 0.020 . 1 . . . . . 302 GLN H . 27922 1 487 . 1 1 181 181 GLN CA C 13 56.489 0.3 . 1 . . . . . 302 GLN CA . 27922 1 488 . 1 1 181 181 GLN N N 15 128.702 0.3 . 1 . . . . . 302 GLN N . 27922 1 489 . 1 1 182 182 HIS H H 1 8.033 0.020 . 1 . . . . . 303 HIS H . 27922 1 490 . 1 1 182 182 HIS CA C 13 55.805 0.3 . 1 . . . . . 303 HIS CA . 27922 1 491 . 1 1 182 182 HIS CB C 13 30.769 0.3 . 1 . . . . . 303 HIS CB . 27922 1 492 . 1 1 182 182 HIS N N 15 122.161 0.3 . 1 . . . . . 303 HIS N . 27922 1 493 . 1 1 183 183 ASP H H 1 7.862 0.020 . 1 . . . . . 304 ASP H . 27922 1 494 . 1 1 183 183 ASP CA C 13 54.446 0.3 . 1 . . . . . 304 ASP CA . 27922 1 495 . 1 1 183 183 ASP CB C 13 41.386 0.3 . 1 . . . . . 304 ASP CB . 27922 1 496 . 1 1 183 183 ASP N N 15 121.018 0.3 . 1 . . . . . 304 ASP N . 27922 1 497 . 1 1 184 184 TYR H H 1 7.749 0.020 . 1 . . . . . 305 TYR H . 27922 1 498 . 1 1 184 184 TYR CA C 13 57.210 0.3 . 1 . . . . . 305 TYR CA . 27922 1 499 . 1 1 184 184 TYR CB C 13 38.334 0.3 . 1 . . . . . 305 TYR CB . 27922 1 500 . 1 1 184 184 TYR N N 15 120.810 0.3 . 1 . . . . . 305 TYR N . 27922 1 501 . 1 1 185 185 THR H H 1 7.786 0.020 . 1 . . . . . 306 THR H . 27922 1 502 . 1 1 185 185 THR CA C 13 62.518 0.3 . 1 . . . . . 306 THR CA . 27922 1 503 . 1 1 185 185 THR CB C 13 69.611 0.3 . 1 . . . . . 306 THR CB . 27922 1 504 . 1 1 185 185 THR N N 15 115.306 0.3 . 1 . . . . . 306 THR N . 27922 1 505 . 1 1 186 186 MET H H 1 7.995 0.020 . 1 . . . . . 307 MET H . 27922 1 506 . 1 1 186 186 MET CA C 13 55.231 0.3 . 1 . . . . . 307 MET CA . 27922 1 507 . 1 1 186 186 MET CB C 13 33.423 0.3 . 1 . . . . . 307 MET CB . 27922 1 508 . 1 1 186 186 MET N N 15 122.674 0.3 . 1 . . . . . 307 MET N . 27922 1 509 . 1 1 187 187 GLU H H 1 8.293 0.020 . 1 . . . . . 308 GLU H . 27922 1 510 . 1 1 187 187 GLU CA C 13 57.383 0.3 . 1 . . . . . 308 GLU CA . 27922 1 511 . 1 1 187 187 GLU CB C 13 29.908 0.3 . 1 . . . . . 308 GLU CB . 27922 1 512 . 1 1 187 187 GLU N N 15 122.981 0.3 . 1 . . . . . 308 GLU N . 27922 1 513 . 1 1 188 188 GLY H H 1 8.394 0.020 . 1 . . . . . 309 GLY H . 27922 1 514 . 1 1 188 188 GLY CA C 13 45.584 0.3 . 1 . . . . . 309 GLY CA . 27922 1 515 . 1 1 188 188 GLY N N 15 111.512 0.3 . 1 . . . . . 309 GLY N . 27922 1 516 . 1 1 189 189 TRP H H 1 7.552 0.020 . 1 . . . . . 310 TRP H . 27922 1 517 . 1 1 189 189 TRP CA C 13 58.603 0.3 . 1 . . . . . 310 TRP CA . 27922 1 518 . 1 1 189 189 TRP CB C 13 30.195 0.3 . 1 . . . . . 310 TRP CB . 27922 1 519 . 1 1 189 189 TRP N N 15 126.716 0.3 . 1 . . . . . 310 TRP N . 27922 1 stop_ save_