data_50555 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50555 _Entry.Title ; Backbone assignment of B-domain of bacterial Fatty acid kinase bound to palmitic acid ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-10 _Entry.Accession_date 2020-11-10 _Entry.Last_release_date 2020-11-10 _Entry.Original_release_date 2020-11-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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. . . 50555 2 Stephen White . . . . 50555 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50555 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 732 50555 '15N chemical shifts' 282 50555 '1H chemical shifts' 282 50555 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 . . 2022-03-14 2020-11-10 update BMRB 'update entry citation' 50555 1 . . 2022-02-17 2020-11-10 original author 'original release' 50555 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50556 'A121I-FakB1 bound to palmitic acid' 50555 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50555 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35122790 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Identification of Structural transitions in bacterial fatty acid binding proteins that permit ligand entry and exit at membranes ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 298 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 101676 _Citation.Page_last 101676 _Citation.Year 2022 _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 Jessica Gullett J. M. . . 50555 1 2 Maxime Cuypers M. G. . . 50555 1 3 Christy Grace C. R. . . 50555 1 4 Shashank Pant S. . . . 50555 1 5 Chitra Subramanian C. . . . 50555 1 6 Emad Tajkhorshid E. . . . 50555 1 7 Charles Rock C. O. . . 50555 1 8 Stephen White S. W. . . 50555 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Fatty acid binding proteins, FakB' 50555 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50555 _Assembly.ID 1 _Assembly.Name 'FakB1 bound to Palmitic acid' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 'FakB1 chain' 1 $entity_1 . . yes native yes no . . . 50555 1 2 'Palmitic Acid' 2 $entity_PLM . . no native yes no . . . 50555 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Binds fatty acid in bacterial systems and transports them' 50555 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50555 _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 ; MGSSHHHHHHSSGLVPRGSH MKIAVMTDSTSYLSQDLIDK YNIQIAPLSVTFDDGKNFTE SNEIAIEEFYNKMASSQTIP TTSQPAIGEWITKYEMLRDQ GYTDIIVICLSSGISGSYQS SYQAGEMVEGVNVHAFDSKL AAMIEGCYVLRAIEMVEEGY EPQQIIDDLTNMREHTGAYL IVDDLKNLQKSGRITGAQAW VGTLLKMKPVLKFEDGKIIP EEKVRTKKRAIQTLEKKVLD IVKDFEEVTLFVINGDHFED GQALYKKLQDDCPSAYQVAY SEFGPVVAAHLGSGGLGLGY VGRKIRLT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Assignment of His tag at the N-terminus is marked by negative number. Actual sequence starts from 21st aminoacid (20 amino acids are from His-tag). ; _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 308 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 'Binds fatty acids from the membrane and transports them' 50555 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 -19 MET . 50555 1 2 -18 GLY . 50555 1 3 -17 SER . 50555 1 4 -16 SER . 50555 1 5 -15 HIS . 50555 1 6 -14 HIS . 50555 1 7 -13 HIS . 50555 1 8 -12 HIS . 50555 1 9 -11 HIS . 50555 1 10 -10 HIS . 50555 1 11 -9 SER . 50555 1 12 -8 SER . 50555 1 13 -7 GLY . 50555 1 14 -6 LEU . 50555 1 15 -5 VAL . 50555 1 16 -4 PRO . 50555 1 17 -3 ARG . 50555 1 18 -2 GLY . 50555 1 19 -1 SER . 50555 1 20 0 HIS . 50555 1 21 1 MET . 50555 1 22 2 LYS . 50555 1 23 3 ILE . 50555 1 24 4 ALA . 50555 1 25 5 VAL . 50555 1 26 6 MET . 50555 1 27 7 THR . 50555 1 28 8 ASP . 50555 1 29 9 SER . 50555 1 30 10 THR . 50555 1 31 11 SER . 50555 1 32 12 TYR . 50555 1 33 13 LEU . 50555 1 34 14 SER . 50555 1 35 15 GLN . 50555 1 36 16 ASP . 50555 1 37 17 LEU . 50555 1 38 18 ILE . 50555 1 39 19 ASP . 50555 1 40 20 LYS . 50555 1 41 21 TYR . 50555 1 42 22 ASN . 50555 1 43 23 ILE . 50555 1 44 24 GLN . 50555 1 45 25 ILE . 50555 1 46 26 ALA . 50555 1 47 27 PRO . 50555 1 48 28 LEU . 50555 1 49 29 SER . 50555 1 50 30 VAL . 50555 1 51 31 THR . 50555 1 52 32 PHE . 50555 1 53 33 ASP . 50555 1 54 34 ASP . 50555 1 55 35 GLY . 50555 1 56 36 LYS . 50555 1 57 37 ASN . 50555 1 58 38 PHE . 50555 1 59 39 THR . 50555 1 60 40 GLU . 50555 1 61 41 SER . 50555 1 62 42 ASN . 50555 1 63 43 GLU . 50555 1 64 44 ILE . 50555 1 65 45 ALA . 50555 1 66 46 ILE . 50555 1 67 47 GLU . 50555 1 68 48 GLU . 50555 1 69 49 PHE . 50555 1 70 50 TYR . 50555 1 71 51 ASN . 50555 1 72 52 LYS . 50555 1 73 53 MET . 50555 1 74 54 ALA . 50555 1 75 55 SER . 50555 1 76 56 SER . 50555 1 77 57 GLN . 50555 1 78 58 THR . 50555 1 79 59 ILE . 50555 1 80 60 PRO . 50555 1 81 61 THR . 50555 1 82 62 THR . 50555 1 83 63 SER . 50555 1 84 64 GLN . 50555 1 85 65 PRO . 50555 1 86 66 ALA . 50555 1 87 67 ILE . 50555 1 88 68 GLY . 50555 1 89 69 GLU . 50555 1 90 70 TRP . 50555 1 91 71 ILE . 50555 1 92 72 THR . 50555 1 93 73 LYS . 50555 1 94 74 TYR . 50555 1 95 75 GLU . 50555 1 96 76 MET . 50555 1 97 77 LEU . 50555 1 98 78 ARG . 50555 1 99 79 ASP . 50555 1 100 80 GLN . 50555 1 101 81 GLY . 50555 1 102 82 TYR . 50555 1 103 83 THR . 50555 1 104 84 ASP . 50555 1 105 85 ILE . 50555 1 106 86 ILE . 50555 1 107 87 VAL . 50555 1 108 88 ILE . 50555 1 109 89 CYS . 50555 1 110 90 LEU . 50555 1 111 91 SER . 50555 1 112 92 SER . 50555 1 113 93 GLY . 50555 1 114 94 ILE . 50555 1 115 95 SER . 50555 1 116 96 GLY . 50555 1 117 97 SER . 50555 1 118 98 TYR . 50555 1 119 99 GLN . 50555 1 120 100 SER . 50555 1 121 101 SER . 50555 1 122 102 TYR . 50555 1 123 103 GLN . 50555 1 124 104 ALA . 50555 1 125 105 GLY . 50555 1 126 106 GLU . 50555 1 127 107 MET . 50555 1 128 108 VAL . 50555 1 129 109 GLU . 50555 1 130 110 GLY . 50555 1 131 111 VAL . 50555 1 132 112 ASN . 50555 1 133 113 VAL . 50555 1 134 114 HIS . 50555 1 135 115 ALA . 50555 1 136 116 PHE . 50555 1 137 117 ASP . 50555 1 138 118 SER . 50555 1 139 119 LYS . 50555 1 140 120 LEU . 50555 1 141 121 ALA . 50555 1 142 122 ALA . 50555 1 143 123 MET . 50555 1 144 124 ILE . 50555 1 145 125 GLU . 50555 1 146 126 GLY . 50555 1 147 127 CYS . 50555 1 148 128 TYR . 50555 1 149 129 VAL . 50555 1 150 130 LEU . 50555 1 151 131 ARG . 50555 1 152 132 ALA . 50555 1 153 133 ILE . 50555 1 154 134 GLU . 50555 1 155 135 MET . 50555 1 156 136 VAL . 50555 1 157 137 GLU . 50555 1 158 138 GLU . 50555 1 159 139 GLY . 50555 1 160 140 TYR . 50555 1 161 141 GLU . 50555 1 162 142 PRO . 50555 1 163 143 GLN . 50555 1 164 144 GLN . 50555 1 165 145 ILE . 50555 1 166 146 ILE . 50555 1 167 147 ASP . 50555 1 168 148 ASP . 50555 1 169 149 LEU . 50555 1 170 150 THR . 50555 1 171 151 ASN . 50555 1 172 152 MET . 50555 1 173 153 ARG . 50555 1 174 154 GLU . 50555 1 175 155 HIS . 50555 1 176 156 THR . 50555 1 177 157 GLY . 50555 1 178 158 ALA . 50555 1 179 159 TYR . 50555 1 180 160 LEU . 50555 1 181 161 ILE . 50555 1 182 162 VAL . 50555 1 183 163 ASP . 50555 1 184 164 ASP . 50555 1 185 165 LEU . 50555 1 186 166 LYS . 50555 1 187 167 ASN . 50555 1 188 168 LEU . 50555 1 189 169 GLN . 50555 1 190 170 LYS . 50555 1 191 171 SER . 50555 1 192 172 GLY . 50555 1 193 173 ARG . 50555 1 194 174 ILE . 50555 1 195 175 THR . 50555 1 196 176 GLY . 50555 1 197 177 ALA . 50555 1 198 178 GLN . 50555 1 199 179 ALA . 50555 1 200 180 TRP . 50555 1 201 181 VAL . 50555 1 202 182 GLY . 50555 1 203 183 THR . 50555 1 204 184 LEU . 50555 1 205 185 LEU . 50555 1 206 186 LYS . 50555 1 207 187 MET . 50555 1 208 188 LYS . 50555 1 209 189 PRO . 50555 1 210 190 VAL . 50555 1 211 191 LEU . 50555 1 212 192 LYS . 50555 1 213 193 PHE . 50555 1 214 194 GLU . 50555 1 215 195 ASP . 50555 1 216 196 GLY . 50555 1 217 197 LYS . 50555 1 218 198 ILE . 50555 1 219 199 ILE . 50555 1 220 200 PRO . 50555 1 221 201 GLU . 50555 1 222 202 GLU . 50555 1 223 203 LYS . 50555 1 224 204 VAL . 50555 1 225 205 ARG . 50555 1 226 206 THR . 50555 1 227 207 LYS . 50555 1 228 208 LYS . 50555 1 229 209 ARG . 50555 1 230 210 ALA . 50555 1 231 211 ILE . 50555 1 232 212 GLN . 50555 1 233 213 THR . 50555 1 234 214 LEU . 50555 1 235 215 GLU . 50555 1 236 216 LYS . 50555 1 237 217 LYS . 50555 1 238 218 VAL . 50555 1 239 219 LEU . 50555 1 240 220 ASP . 50555 1 241 221 ILE . 50555 1 242 222 VAL . 50555 1 243 223 LYS . 50555 1 244 224 ASP . 50555 1 245 225 PHE . 50555 1 246 226 GLU . 50555 1 247 227 GLU . 50555 1 248 228 VAL . 50555 1 249 229 THR . 50555 1 250 230 LEU . 50555 1 251 231 PHE . 50555 1 252 232 VAL . 50555 1 253 233 ILE . 50555 1 254 234 ASN . 50555 1 255 235 GLY . 50555 1 256 236 ASP . 50555 1 257 237 HIS . 50555 1 258 238 PHE . 50555 1 259 239 GLU . 50555 1 260 240 ASP . 50555 1 261 241 GLY . 50555 1 262 242 GLN . 50555 1 263 243 ALA . 50555 1 264 244 LEU . 50555 1 265 245 TYR . 50555 1 266 246 LYS . 50555 1 267 247 LYS . 50555 1 268 248 LEU . 50555 1 269 249 GLN . 50555 1 270 250 ASP . 50555 1 271 251 ASP . 50555 1 272 252 CYS . 50555 1 273 253 PRO . 50555 1 274 254 SER . 50555 1 275 255 ALA . 50555 1 276 256 TYR . 50555 1 277 257 GLN . 50555 1 278 258 VAL . 50555 1 279 259 ALA . 50555 1 280 260 TYR . 50555 1 281 261 SER . 50555 1 282 262 GLU . 50555 1 283 263 PHE . 50555 1 284 264 GLY . 50555 1 285 265 PRO . 50555 1 286 266 VAL . 50555 1 287 267 VAL . 50555 1 288 268 ALA . 50555 1 289 269 ALA . 50555 1 290 270 HIS . 50555 1 291 271 LEU . 50555 1 292 272 GLY . 50555 1 293 273 SER . 50555 1 294 274 GLY . 50555 1 295 275 GLY . 50555 1 296 276 LEU . 50555 1 297 277 GLY . 50555 1 298 278 LEU . 50555 1 299 279 GLY . 50555 1 300 280 TYR . 50555 1 301 281 VAL . 50555 1 302 282 GLY . 50555 1 303 283 ARG . 50555 1 304 284 LYS . 50555 1 305 285 ILE . 50555 1 306 286 ARG . 50555 1 307 287 LEU . 50555 1 308 288 THR . 50555 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 50555 1 . GLY 2 2 50555 1 . SER 3 3 50555 1 . SER 4 4 50555 1 . HIS 5 5 50555 1 . HIS 6 6 50555 1 . HIS 7 7 50555 1 . HIS 8 8 50555 1 . HIS 9 9 50555 1 . HIS 10 10 50555 1 . SER 11 11 50555 1 . SER 12 12 50555 1 . GLY 13 13 50555 1 . LEU 14 14 50555 1 . VAL 15 15 50555 1 . PRO 16 16 50555 1 . ARG 17 17 50555 1 . GLY 18 18 50555 1 . SER 19 19 50555 1 . HIS 20 20 50555 1 . MET 21 21 50555 1 . LYS 22 22 50555 1 . ILE 23 23 50555 1 . ALA 24 24 50555 1 . VAL 25 25 50555 1 . MET 26 26 50555 1 . THR 27 27 50555 1 . ASP 28 28 50555 1 . SER 29 29 50555 1 . THR 30 30 50555 1 . SER 31 31 50555 1 . TYR 32 32 50555 1 . LEU 33 33 50555 1 . SER 34 34 50555 1 . GLN 35 35 50555 1 . ASP 36 36 50555 1 . LEU 37 37 50555 1 . ILE 38 38 50555 1 . ASP 39 39 50555 1 . LYS 40 40 50555 1 . TYR 41 41 50555 1 . ASN 42 42 50555 1 . ILE 43 43 50555 1 . GLN 44 44 50555 1 . ILE 45 45 50555 1 . ALA 46 46 50555 1 . PRO 47 47 50555 1 . LEU 48 48 50555 1 . SER 49 49 50555 1 . VAL 50 50 50555 1 . THR 51 51 50555 1 . PHE 52 52 50555 1 . ASP 53 53 50555 1 . ASP 54 54 50555 1 . GLY 55 55 50555 1 . LYS 56 56 50555 1 . ASN 57 57 50555 1 . PHE 58 58 50555 1 . THR 59 59 50555 1 . GLU 60 60 50555 1 . SER 61 61 50555 1 . ASN 62 62 50555 1 . GLU 63 63 50555 1 . ILE 64 64 50555 1 . ALA 65 65 50555 1 . ILE 66 66 50555 1 . GLU 67 67 50555 1 . GLU 68 68 50555 1 . PHE 69 69 50555 1 . TYR 70 70 50555 1 . ASN 71 71 50555 1 . LYS 72 72 50555 1 . MET 73 73 50555 1 . ALA 74 74 50555 1 . SER 75 75 50555 1 . SER 76 76 50555 1 . GLN 77 77 50555 1 . THR 78 78 50555 1 . ILE 79 79 50555 1 . PRO 80 80 50555 1 . THR 81 81 50555 1 . THR 82 82 50555 1 . SER 83 83 50555 1 . GLN 84 84 50555 1 . PRO 85 85 50555 1 . ALA 86 86 50555 1 . ILE 87 87 50555 1 . GLY 88 88 50555 1 . GLU 89 89 50555 1 . TRP 90 90 50555 1 . ILE 91 91 50555 1 . THR 92 92 50555 1 . LYS 93 93 50555 1 . TYR 94 94 50555 1 . GLU 95 95 50555 1 . MET 96 96 50555 1 . LEU 97 97 50555 1 . ARG 98 98 50555 1 . ASP 99 99 50555 1 . GLN 100 100 50555 1 . GLY 101 101 50555 1 . TYR 102 102 50555 1 . THR 103 103 50555 1 . ASP 104 104 50555 1 . ILE 105 105 50555 1 . ILE 106 106 50555 1 . VAL 107 107 50555 1 . ILE 108 108 50555 1 . CYS 109 109 50555 1 . LEU 110 110 50555 1 . SER 111 111 50555 1 . SER 112 112 50555 1 . GLY 113 113 50555 1 . ILE 114 114 50555 1 . SER 115 115 50555 1 . GLY 116 116 50555 1 . SER 117 117 50555 1 . TYR 118 118 50555 1 . GLN 119 119 50555 1 . SER 120 120 50555 1 . SER 121 121 50555 1 . TYR 122 122 50555 1 . GLN 123 123 50555 1 . ALA 124 124 50555 1 . GLY 125 125 50555 1 . GLU 126 126 50555 1 . MET 127 127 50555 1 . VAL 128 128 50555 1 . GLU 129 129 50555 1 . GLY 130 130 50555 1 . VAL 131 131 50555 1 . ASN 132 132 50555 1 . VAL 133 133 50555 1 . HIS 134 134 50555 1 . ALA 135 135 50555 1 . PHE 136 136 50555 1 . ASP 137 137 50555 1 . SER 138 138 50555 1 . LYS 139 139 50555 1 . LEU 140 140 50555 1 . ALA 141 141 50555 1 . ALA 142 142 50555 1 . MET 143 143 50555 1 . ILE 144 144 50555 1 . GLU 145 145 50555 1 . GLY 146 146 50555 1 . CYS 147 147 50555 1 . TYR 148 148 50555 1 . VAL 149 149 50555 1 . LEU 150 150 50555 1 . ARG 151 151 50555 1 . ALA 152 152 50555 1 . ILE 153 153 50555 1 . GLU 154 154 50555 1 . MET 155 155 50555 1 . VAL 156 156 50555 1 . GLU 157 157 50555 1 . GLU 158 158 50555 1 . GLY 159 159 50555 1 . TYR 160 160 50555 1 . GLU 161 161 50555 1 . PRO 162 162 50555 1 . GLN 163 163 50555 1 . GLN 164 164 50555 1 . ILE 165 165 50555 1 . ILE 166 166 50555 1 . ASP 167 167 50555 1 . ASP 168 168 50555 1 . LEU 169 169 50555 1 . THR 170 170 50555 1 . ASN 171 171 50555 1 . MET 172 172 50555 1 . ARG 173 173 50555 1 . GLU 174 174 50555 1 . HIS 175 175 50555 1 . THR 176 176 50555 1 . GLY 177 177 50555 1 . ALA 178 178 50555 1 . TYR 179 179 50555 1 . LEU 180 180 50555 1 . ILE 181 181 50555 1 . VAL 182 182 50555 1 . ASP 183 183 50555 1 . ASP 184 184 50555 1 . LEU 185 185 50555 1 . LYS 186 186 50555 1 . ASN 187 187 50555 1 . LEU 188 188 50555 1 . GLN 189 189 50555 1 . LYS 190 190 50555 1 . SER 191 191 50555 1 . GLY 192 192 50555 1 . ARG 193 193 50555 1 . ILE 194 194 50555 1 . THR 195 195 50555 1 . GLY 196 196 50555 1 . ALA 197 197 50555 1 . GLN 198 198 50555 1 . ALA 199 199 50555 1 . TRP 200 200 50555 1 . VAL 201 201 50555 1 . GLY 202 202 50555 1 . THR 203 203 50555 1 . LEU 204 204 50555 1 . LEU 205 205 50555 1 . LYS 206 206 50555 1 . MET 207 207 50555 1 . LYS 208 208 50555 1 . PRO 209 209 50555 1 . VAL 210 210 50555 1 . LEU 211 211 50555 1 . LYS 212 212 50555 1 . PHE 213 213 50555 1 . GLU 214 214 50555 1 . ASP 215 215 50555 1 . GLY 216 216 50555 1 . LYS 217 217 50555 1 . ILE 218 218 50555 1 . ILE 219 219 50555 1 . PRO 220 220 50555 1 . GLU 221 221 50555 1 . GLU 222 222 50555 1 . LYS 223 223 50555 1 . VAL 224 224 50555 1 . ARG 225 225 50555 1 . THR 226 226 50555 1 . LYS 227 227 50555 1 . LYS 228 228 50555 1 . ARG 229 229 50555 1 . ALA 230 230 50555 1 . ILE 231 231 50555 1 . GLN 232 232 50555 1 . THR 233 233 50555 1 . LEU 234 234 50555 1 . GLU 235 235 50555 1 . LYS 236 236 50555 1 . LYS 237 237 50555 1 . VAL 238 238 50555 1 . LEU 239 239 50555 1 . ASP 240 240 50555 1 . ILE 241 241 50555 1 . VAL 242 242 50555 1 . LYS 243 243 50555 1 . ASP 244 244 50555 1 . PHE 245 245 50555 1 . GLU 246 246 50555 1 . GLU 247 247 50555 1 . VAL 248 248 50555 1 . THR 249 249 50555 1 . LEU 250 250 50555 1 . PHE 251 251 50555 1 . VAL 252 252 50555 1 . ILE 253 253 50555 1 . ASN 254 254 50555 1 . GLY 255 255 50555 1 . ASP 256 256 50555 1 . HIS 257 257 50555 1 . PHE 258 258 50555 1 . GLU 259 259 50555 1 . ASP 260 260 50555 1 . GLY 261 261 50555 1 . GLN 262 262 50555 1 . ALA 263 263 50555 1 . LEU 264 264 50555 1 . TYR 265 265 50555 1 . LYS 266 266 50555 1 . LYS 267 267 50555 1 . LEU 268 268 50555 1 . GLN 269 269 50555 1 . ASP 270 270 50555 1 . ASP 271 271 50555 1 . CYS 272 272 50555 1 . PRO 273 273 50555 1 . SER 274 274 50555 1 . ALA 275 275 50555 1 . TYR 276 276 50555 1 . GLN 277 277 50555 1 . VAL 278 278 50555 1 . ALA 279 279 50555 1 . TYR 280 280 50555 1 . SER 281 281 50555 1 . GLU 282 282 50555 1 . PHE 283 283 50555 1 . GLY 284 284 50555 1 . PRO 285 285 50555 1 . VAL 286 286 50555 1 . VAL 287 287 50555 1 . ALA 288 288 50555 1 . ALA 289 289 50555 1 . HIS 290 290 50555 1 . LEU 291 291 50555 1 . GLY 292 292 50555 1 . SER 293 293 50555 1 . GLY 294 294 50555 1 . GLY 295 295 50555 1 . LEU 296 296 50555 1 . GLY 297 297 50555 1 . LEU 298 298 50555 1 . GLY 299 299 50555 1 . TYR 300 300 50555 1 . VAL 301 301 50555 1 . GLY 302 302 50555 1 . ARG 303 303 50555 1 . LYS 304 304 50555 1 . ILE 305 305 50555 1 . ARG 306 306 50555 1 . LEU 307 307 50555 1 . THR 308 308 50555 1 stop_ save_ save_entity_PLM _Entity.Sf_category entity _Entity.Sf_framecode entity_PLM _Entity.Entry_ID 50555 _Entity.ID 2 _Entity.BMRB_code PLM _Entity.Name entity_PLM _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID PLM _Entity.Nonpolymer_comp_label $chem_comp_PLM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 256.424 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PALMITIC ACID' BMRB 50555 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'PALMITIC ACID' BMRB 50555 2 PLM 'Three letter code' 50555 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 PLM $chem_comp_PLM 50555 2 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 50555 _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 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . 50555 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 50555 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pCS106 . . . 50555 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_PLM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PLM _Chem_comp.Entry_ID 50555 _Chem_comp.ID PLM _Chem_comp.Provenance PDB _Chem_comp.Name 'PALMITIC ACID' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code PLM _Chem_comp.PDB_code PLM _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces FAT,PLY _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code PLM _Chem_comp.Number_atoms_all 50 _Chem_comp.Number_atoms_nh 18 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C16 H32 O2' _Chem_comp.Formula_weight 256.424 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1LIE _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CCCCCCCCCCCCCCCC(=O)O SMILES 'OpenEye OEToolkits' 1.5.0 50555 PLM CCCCCCCCCCCCCCCC(=O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50555 PLM CCCCCCCCCCCCCCCC(O)=O SMILES CACTVS 3.341 50555 PLM CCCCCCCCCCCCCCCC(O)=O SMILES_CANONICAL CACTVS 3.341 50555 PLM IPCSVZSSVZVIGE-UHFFFAOYSA-N InChIKey InChI 1.03 50555 PLM InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) InChI InChI 1.03 50555 PLM O=C(O)CCCCCCCCCCCCCCC SMILES ACDLabs 10.04 50555 PLM stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'hexadecanoic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 50555 PLM 'hexadecanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50555 PLM stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . -44.797 . 67.181 . -6.007 . 0.142 0.001 -8.190 1 . 50555 PLM O1 O1 O1 O1 . O . . N 0 . . . 1 no yes . . . . -45.197 . 66.011 . -6.150 . -0.449 -0.004 -9.395 2 . 50555 PLM O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . -43.601 . 67.509 . -6.162 . 1.347 0.014 -8.109 3 . 50555 PLM C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . -45.810 . 68.243 . -5.609 . -0.697 -0.007 -6.939 4 . 50555 PLM C3 C3 C3 C3 . C . . N 0 . . . 1 no no . . . . -45.543 . 69.607 . -6.238 . 0.215 0.002 -5.711 5 . 50555 PLM C4 C4 C4 C4 . C . . N 0 . . . 1 no no . . . . -46.461 . 70.654 . -5.622 . -0.636 -0.007 -4.441 6 . 50555 PLM C5 C5 C5 C5 . C . . N 0 . . . 1 no no . . . . -46.177 . 72.051 . -6.141 . 0.276 0.003 -3.214 7 . 50555 PLM C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . -46.910 . 72.314 . -7.437 . -0.576 -0.006 -1.943 8 . 50555 PLM C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . -48.412 . 72.321 . -7.219 . 0.337 0.003 -0.716 9 . 50555 PLM C8 C8 C8 C8 . C . . N 0 . . . 1 no no . . . . -49.152 . 72.429 . -8.534 . -0.515 -0.005 0.553 10 . 50555 PLM C9 C9 C9 C9 . C . . N 0 . . . 1 no no . . . . -50.654 . 72.326 . -8.324 . 0.398 0.004 1.781 11 . 50555 PLM CA CA CA CA . C . . N 0 . . . 1 no no . . . . -51.400 . 72.369 . -9.642 . -0.454 -0.005 3.051 12 . 50555 PLM CB CB CB CB . C . . N 0 . . . 1 no no . . . . -51.090 . 71.161 . -10.508 . 0.459 0.005 4.279 13 . 50555 PLM CC CC CC CC . C . . N 0 . . . 1 no no . . . . -51.661 . 71.343 . -11.904 . -0.393 -0.004 5.549 14 . 50555 PLM CD CD CD CD . C . . N 0 . . . 1 no no . . . . -51.577 . 70.068 . -12.725 . 0.520 0.005 6.776 15 . 50555 PLM CE CE CE CE . C . . N 0 . . . 1 no no . . . . -51.979 . 70.319 . -14.179 . -0.332 -0.003 8.047 16 . 50555 PLM CF CF CF CF . C . . N 0 . . . 1 no no . . . . -53.353 . 70.967 . -14.294 . 0.580 0.006 9.274 17 . 50555 PLM CG CG CG CG . C . . N 0 . . . 1 no no . . . . -53.698 . 71.281 . -15.743 . -0.271 -0.003 10.544 18 . 50555 PLM H H H H . H . . N 0 . . . 1 no no . . . . -46.106 . 65.761 . -6.032 . 0.089 0.001 -10.198 19 . 50555 PLM H21 H21 H21 1H2 . H . . N 0 . . . 1 no no . . . . -46.847 . 67.901 . -5.833 . -1.317 -0.904 -6.923 20 . 50555 PLM H22 H22 H22 2H2 . H . . N 0 . . . 1 no no . . . . -45.877 . 68.327 . -4.499 . -1.336 0.875 -6.923 21 . 50555 PLM H31 H31 H31 1H3 . H . . N 0 . . . 1 no no . . . . -44.469 . 69.897 . -6.164 . 0.835 0.899 -5.727 22 . 50555 PLM H32 H32 H32 2H3 . H . . N 0 . . . 1 no no . . . . -45.628 . 69.578 . -7.349 . 0.854 -0.880 -5.727 23 . 50555 PLM H41 H41 H41 1H4 . H . . N 0 . . . 1 no no . . . . -47.532 . 70.382 . -5.765 . -1.256 -0.903 -4.426 24 . 50555 PLM H42 H42 H42 2H4 . H . . N 0 . . . 1 no no . . . . -46.415 . 70.622 . -4.508 . -1.275 0.876 -4.426 25 . 50555 PLM H51 H51 H51 1H5 . H . . N 0 . . . 1 no no . . . . -46.408 . 72.827 . -5.374 . 0.896 0.899 -3.229 26 . 50555 PLM H52 H52 H52 2H5 . H . . N 0 . . . 1 no no . . . . -45.082 . 72.234 . -6.245 . 0.915 -0.880 -3.229 27 . 50555 PLM H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . -46.560 . 73.254 . -7.924 . -1.195 -0.903 -1.928 28 . 50555 PLM H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . -46.612 . 71.590 . -8.232 . -1.214 0.876 -1.928 29 . 50555 PLM H71 H71 H71 1H7 . H . . N 0 . . . 1 no no . . . . -48.745 . 71.434 . -6.631 . 0.956 0.900 -0.731 30 . 50555 PLM H72 H72 H72 2H7 . H . . N 0 . . . 1 no no . . . . -48.720 . 73.122 . -6.507 . 0.976 -0.879 -0.731 31 . 50555 PLM H81 H81 H81 1H8 . H . . N 0 . . . 1 no no . . . . -48.876 . 73.358 . -9.085 . -1.134 -0.902 0.569 32 . 50555 PLM H82 H82 H82 2H8 . H . . N 0 . . . 1 no no . . . . -48.787 . 71.678 . -9.273 . -1.154 0.877 0.569 33 . 50555 PLM H91 H91 H91 1H9 . H . . N 0 . . . 1 no no . . . . -50.922 . 71.420 . -7.731 . 1.017 0.901 1.766 34 . 50555 PLM H92 H92 H92 2H9 . H . . N 0 . . . 1 no no . . . . -51.022 . 73.107 . -7.619 . 1.037 -0.878 1.766 35 . 50555 PLM HA1 HA1 HA1 1HA . H . . N 0 . . . 1 no no . . . . -52.497 . 72.482 . -9.482 . -1.073 -0.901 3.067 36 . 50555 PLM HA2 HA2 HA2 2HA . H . . N 0 . . . 1 no no . . . . -51.202 . 73.320 . -10.188 . -1.093 0.878 3.067 37 . 50555 PLM HB1 HB1 HB1 1HB . H . . N 0 . . . 1 no no . . . . -49.997 . 70.939 . -10.533 . 1.078 0.901 4.263 38 . 50555 PLM HB2 HB2 HB2 2HB . H . . N 0 . . . 1 no no . . . . -51.441 . 70.213 . -10.037 . 1.098 -0.878 4.263 39 . 50555 PLM HC1 HC1 HC1 1HC . H . . N 0 . . . 1 no no . . . . -52.705 . 71.731 . -11.866 . -1.012 -0.901 5.564 40 . 50555 PLM HC2 HC2 HC2 2HC . H . . N 0 . . . 1 no no . . . . -51.174 . 72.196 . -12.431 . -1.032 0.878 5.564 41 . 50555 PLM HD1 HD1 HD1 1HD . H . . N 0 . . . 1 no no . . . . -50.567 . 69.600 . -12.653 . 1.139 0.902 6.761 42 . 50555 PLM HD2 HD2 HD2 2HD . H . . N 0 . . . 1 no no . . . . -52.178 . 69.246 . -12.269 . 1.158 -0.877 6.761 43 . 50555 PLM HE1 HE1 HE1 1HE . H . . N 0 . . . 1 no no . . . . -51.205 . 70.917 . -14.713 . -0.952 -0.900 8.062 44 . 50555 PLM HE2 HE2 HE2 2HE . H . . N 0 . . . 1 no no . . . . -51.924 . 69.381 . -14.779 . -0.971 0.879 8.062 45 . 50555 PLM HF1 HF1 HF1 1HF . H . . N 0 . . . 1 no no . . . . -54.141 . 70.342 . -13.812 . 1.200 0.903 9.259 46 . 50555 PLM HF2 HF2 HF2 2HF . H . . N 0 . . . 1 no no . . . . -53.433 . 71.872 . -13.649 . 1.219 -0.876 9.259 47 . 50555 PLM HG1 HG1 HG1 1HG . H . . N 0 . . . 1 no no . . . . -54.703 . 71.755 . -15.827 . 0.379 0.004 11.419 48 . 50555 PLM HG2 HG2 HG2 2HG . H . . N 0 . . . 1 no no . . . . -52.909 . 71.905 . -16.225 . -0.910 0.880 10.560 49 . 50555 PLM HG3 HG3 HG3 3HG . H . . N 0 . . . 1 no no . . . . -53.617 . 70.375 . -16.388 . -0.891 -0.899 10.560 50 . 50555 PLM stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 O1 no N 1 . 50555 PLM 2 . DOUB C1 O2 no N 2 . 50555 PLM 3 . SING C1 C2 no N 3 . 50555 PLM 4 . SING O1 H no N 4 . 50555 PLM 5 . SING C2 C3 no N 5 . 50555 PLM 6 . SING C2 H21 no N 6 . 50555 PLM 7 . SING C2 H22 no N 7 . 50555 PLM 8 . SING C3 C4 no N 8 . 50555 PLM 9 . SING C3 H31 no N 9 . 50555 PLM 10 . SING C3 H32 no N 10 . 50555 PLM 11 . SING C4 C5 no N 11 . 50555 PLM 12 . SING C4 H41 no N 12 . 50555 PLM 13 . SING C4 H42 no N 13 . 50555 PLM 14 . SING C5 C6 no N 14 . 50555 PLM 15 . SING C5 H51 no N 15 . 50555 PLM 16 . SING C5 H52 no N 16 . 50555 PLM 17 . SING C6 C7 no N 17 . 50555 PLM 18 . SING C6 H61 no N 18 . 50555 PLM 19 . SING C6 H62 no N 19 . 50555 PLM 20 . SING C7 C8 no N 20 . 50555 PLM 21 . SING C7 H71 no N 21 . 50555 PLM 22 . SING C7 H72 no N 22 . 50555 PLM 23 . SING C8 C9 no N 23 . 50555 PLM 24 . SING C8 H81 no N 24 . 50555 PLM 25 . SING C8 H82 no N 25 . 50555 PLM 26 . SING C9 CA no N 26 . 50555 PLM 27 . SING C9 H91 no N 27 . 50555 PLM 28 . SING C9 H92 no N 28 . 50555 PLM 29 . SING CA CB no N 29 . 50555 PLM 30 . SING CA HA1 no N 30 . 50555 PLM 31 . SING CA HA2 no N 31 . 50555 PLM 32 . SING CB CC no N 32 . 50555 PLM 33 . SING CB HB1 no N 33 . 50555 PLM 34 . SING CB HB2 no N 34 . 50555 PLM 35 . SING CC CD no N 35 . 50555 PLM 36 . SING CC HC1 no N 36 . 50555 PLM 37 . SING CC HC2 no N 37 . 50555 PLM 38 . SING CD CE no N 38 . 50555 PLM 39 . SING CD HD1 no N 39 . 50555 PLM 40 . SING CD HD2 no N 40 . 50555 PLM 41 . SING CE CF no N 41 . 50555 PLM 42 . SING CE HE1 no N 42 . 50555 PLM 43 . SING CE HE2 no N 43 . 50555 PLM 44 . SING CF CG no N 44 . 50555 PLM 45 . SING CF HF1 no N 45 . 50555 PLM 46 . SING CF HF2 no N 46 . 50555 PLM 47 . SING CG HG1 no N 47 . 50555 PLM 48 . SING CG HG2 no N 48 . 50555 PLM 49 . SING CG HG3 no N 49 . 50555 PLM stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50555 _Sample.ID 1 _Sample.Name Sample_1 _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 'FakB1 bound to Palmitic acid' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 50555 1 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 50555 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50555 _Sample.ID 2 _Sample.Name Sample_2 _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 'FakB1 bound to Palmitic acid' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $entity_1 . . 1 . . mM . . . . 50555 2 2 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 50555 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 50555 _Sample_condition_list.ID 1 _Sample_condition_list.Name Sample_1 _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' 200 . mM 50555 1 pH 7.5 . pH 50555 1 pressure 1 . atm 50555 1 temperature 313 . K 50555 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 50555 _Sample_condition_list.ID 2 _Sample_condition_list.Name Sample_2 _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' 200 . mM 50555 2 pH 7.5 . pH 50555 2 pressure 1 . atm 50555 2 temperature 293 . K 50555 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50555 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment, peak picking' . 50555 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50555 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'processing, data collection' . 50555 2 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 50555 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Spectrometer_1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50555 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Spectrometer_2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 50555 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name Spectrometer_3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50555 _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 TROSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50555 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50555 1 3 '3D 15N-separated NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50555 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50555 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50555 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50555 1 7 '2D 1H-15N TROSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50555 1 8 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50555 1 9 '3D 15N-separated NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 50555 1 10 '3D HN(CO)CA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50555 1 11 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50555 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 50555 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Reference_1 _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 . . . . . 50555 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50555 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50555 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 50555 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Chemical_Shift_1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 7 '2D 1H-15N TROSY' . . . 50555 1 8 '3D HNCA' . . . 50555 1 9 '3D 15N-separated NOESY' . . . 50555 1 10 '3D HN(CO)CA' . . . 50555 1 11 '3D HNCACB' . . . 50555 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 . . 50555 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 13 13 GLY H H 1 8.285 0.020 . 1 . . . . . -7 GLY H . 50555 1 2 . 1 . 1 13 13 GLY CA C 13 45.463 0.3 . 1 . . . . . -7 GLY CA . 50555 1 3 . 1 . 1 13 13 GLY N N 15 110.111 0.3 . 1 . . . . . -7 GLY N . 50555 1 4 . 1 . 1 14 14 LEU H H 1 8.159 0.020 . 1 . . . . . -6 LEU H . 50555 1 5 . 1 . 1 14 14 LEU C C 13 177.189 0.3 . 1 . . . . . -6 LEU C . 50555 1 6 . 1 . 1 14 14 LEU CA C 13 55.403 0.3 . 1 . . . . . -6 LEU CA . 50555 1 7 . 1 . 1 14 14 LEU CB C 13 42.555 0.3 . 1 . . . . . -6 LEU CB . 50555 1 8 . 1 . 1 14 14 LEU N N 15 121.531 0.3 . 1 . . . . . -6 LEU N . 50555 1 9 . 1 . 1 15 15 VAL H H 1 8.135 0.020 . 1 . . . . . -5 VAL H . 50555 1 10 . 1 . 1 15 15 VAL C C 13 174.495 0.3 . 1 . . . . . -5 VAL C . 50555 1 11 . 1 . 1 15 15 VAL CA C 13 60.146 0.3 . 1 . . . . . -5 VAL CA . 50555 1 12 . 1 . 1 15 15 VAL CB C 13 32.748 0.3 . 1 . . . . . -5 VAL CB . 50555 1 13 . 1 . 1 15 15 VAL N N 15 123.178 0.3 . 1 . . . . . -5 VAL N . 50555 1 14 . 1 . 1 17 17 ARG H H 1 8.383 0.020 . 1 . . . . . -3 ARG H . 50555 1 15 . 1 . 1 17 17 ARG C C 13 177.083 0.3 . 1 . . . . . -3 ARG C . 50555 1 16 . 1 . 1 17 17 ARG CA C 13 56.450 0.3 . 1 . . . . . -3 ARG CA . 50555 1 17 . 1 . 1 17 17 ARG CB C 13 30.925 0.3 . 1 . . . . . -3 ARG CB . 50555 1 18 . 1 . 1 17 17 ARG N N 15 121.669 0.3 . 1 . . . . . -3 ARG N . 50555 1 19 . 1 . 1 18 18 GLY H H 1 8.506 0.020 . 1 . . . . . -2 GLY H . 50555 1 20 . 1 . 1 18 18 GLY CA C 13 45.691 0.3 . 1 . . . . . -2 GLY CA . 50555 1 21 . 1 . 1 18 18 GLY N N 15 110.515 0.3 . 1 . . . . . -2 GLY N . 50555 1 22 . 1 . 1 19 19 SER H H 1 8.104 0.020 . 1 . . . . . -1 SER H . 50555 1 23 . 1 . 1 19 19 SER CA C 13 59.040 0.3 . 1 . . . . . -1 SER CA . 50555 1 24 . 1 . 1 19 19 SER CB C 13 60.246 0.3 . 1 . . . . . -1 SER CB . 50555 1 25 . 1 . 1 19 19 SER N N 15 115.256 0.3 . 1 . . . . . -1 SER N . 50555 1 26 . 1 . 1 20 20 HIS H H 1 8.147 0.020 . 1 . . . . . 0 HIS H . 50555 1 27 . 1 . 1 20 20 HIS CA C 13 56.111 0.3 . 1 . . . . . 0 HIS CA . 50555 1 28 . 1 . 1 20 20 HIS CB C 13 30.992 0.3 . 1 . . . . . 0 HIS CB . 50555 1 29 . 1 . 1 20 20 HIS N N 15 119.781 0.3 . 1 . . . . . 0 HIS N . 50555 1 30 . 1 . 1 21 21 MET H H 1 7.968 0.020 . 1 . . . . . 1 MET H . 50555 1 31 . 1 . 1 21 21 MET CA C 13 55.900 0.3 . 1 . . . . . 1 MET CA . 50555 1 32 . 1 . 1 21 21 MET CB C 13 34.527 0.3 . 1 . . . . . 1 MET CB . 50555 1 33 . 1 . 1 21 21 MET N N 15 122.097 0.3 . 1 . . . . . 1 MET N . 50555 1 34 . 1 . 1 22 22 LYS H H 1 8.779 0.020 . 1 . . . . . 2 LYS H . 50555 1 35 . 1 . 1 22 22 LYS C C 13 175.459 0.3 . 1 . . . . . 2 LYS C . 50555 1 36 . 1 . 1 22 22 LYS CA C 13 56.787 0.3 . 1 . . . . . 2 LYS CA . 50555 1 37 . 1 . 1 22 22 LYS CB C 13 34.795 0.3 . 1 . . . . . 2 LYS CB . 50555 1 38 . 1 . 1 22 22 LYS N N 15 127.895 0.3 . 1 . . . . . 2 LYS N . 50555 1 39 . 1 . 1 23 23 ILE H H 1 8.783 0.020 . 1 . . . . . 3 ILE H . 50555 1 40 . 1 . 1 23 23 ILE C C 13 174.833 0.3 . 1 . . . . . 3 ILE C . 50555 1 41 . 1 . 1 23 23 ILE CA C 13 61.528 0.3 . 1 . . . . . 3 ILE CA . 50555 1 42 . 1 . 1 23 23 ILE CB C 13 40.243 0.3 . 1 . . . . . 3 ILE CB . 50555 1 43 . 1 . 1 23 23 ILE N N 15 127.787 0.3 . 1 . . . . . 3 ILE N . 50555 1 44 . 1 . 1 24 24 ALA H H 1 8.683 0.020 . 1 . . . . . 4 ALA H . 50555 1 45 . 1 . 1 24 24 ALA C C 13 175.792 0.3 . 1 . . . . . 4 ALA C . 50555 1 46 . 1 . 1 24 24 ALA CA C 13 50.020 0.3 . 1 . . . . . 4 ALA CA . 50555 1 47 . 1 . 1 24 24 ALA CB C 13 21.966 0.3 . 1 . . . . . 4 ALA CB . 50555 1 48 . 1 . 1 24 24 ALA N N 15 128.885 0.3 . 1 . . . . . 4 ALA N . 50555 1 49 . 1 . 1 25 25 VAL H H 1 8.188 0.020 . 1 . . . . . 5 VAL H . 50555 1 50 . 1 . 1 25 25 VAL C C 13 174.871 0.3 . 1 . . . . . 5 VAL C . 50555 1 51 . 1 . 1 25 25 VAL CA C 13 61.228 0.3 . 1 . . . . . 5 VAL CA . 50555 1 52 . 1 . 1 25 25 VAL CB C 13 33.549 0.3 . 1 . . . . . 5 VAL CB . 50555 1 53 . 1 . 1 25 25 VAL N N 15 119.291 0.3 . 1 . . . . . 5 VAL N . 50555 1 54 . 1 . 1 26 26 MET H H 1 9.302 0.020 . 1 . . . . . 6 MET H . 50555 1 55 . 1 . 1 26 26 MET C C 13 173.536 0.3 . 1 . . . . . 6 MET C . 50555 1 56 . 1 . 1 26 26 MET CA C 13 54.458 0.3 . 1 . . . . . 6 MET CA . 50555 1 57 . 1 . 1 26 26 MET CB C 13 37.761 0.3 . 1 . . . . . 6 MET CB . 50555 1 58 . 1 . 1 26 26 MET N N 15 125.066 0.3 . 1 . . . . . 6 MET N . 50555 1 59 . 1 . 1 27 27 THR H H 1 7.912 0.020 . 1 . . . . . 7 THR H . 50555 1 60 . 1 . 1 27 27 THR C C 13 172.671 0.3 . 1 . . . . . 7 THR C . 50555 1 61 . 1 . 1 27 27 THR CA C 13 58.369 0.3 . 1 . . . . . 7 THR CA . 50555 1 62 . 1 . 1 27 27 THR CB C 13 69.651 0.3 . 1 . . . . . 7 THR CB . 50555 1 63 . 1 . 1 27 27 THR N N 15 112.902 0.3 . 1 . . . . . 7 THR N . 50555 1 64 . 1 . 1 28 28 ASP H H 1 8.525 0.020 . 1 . . . . . 8 ASP H . 50555 1 65 . 1 . 1 28 28 ASP C C 13 178.592 0.3 . 1 . . . . . 8 ASP C . 50555 1 66 . 1 . 1 28 28 ASP CA C 13 52.234 0.3 . 1 . . . . . 8 ASP CA . 50555 1 67 . 1 . 1 28 28 ASP CB C 13 43.604 0.3 . 1 . . . . . 8 ASP CB . 50555 1 68 . 1 . 1 28 28 ASP N N 15 118.601 0.3 . 1 . . . . . 8 ASP N . 50555 1 69 . 1 . 1 29 29 SER H H 1 7.235 0.020 . 1 . . . . . 9 SER H . 50555 1 70 . 1 . 1 29 29 SER C C 13 176.109 0.3 . 1 . . . . . 9 SER C . 50555 1 71 . 1 . 1 29 29 SER CA C 13 62.519 0.3 . 1 . . . . . 9 SER CA . 50555 1 72 . 1 . 1 29 29 SER N N 15 111.115 0.3 . 1 . . . . . 9 SER N . 50555 1 73 . 1 . 1 30 30 THR H H 1 7.245 0.020 . 1 . . . . . 10 THR H . 50555 1 74 . 1 . 1 30 30 THR C C 13 174.156 0.3 . 1 . . . . . 10 THR C . 50555 1 75 . 1 . 1 30 30 THR CA C 13 61.698 0.3 . 1 . . . . . 10 THR CA . 50555 1 76 . 1 . 1 30 30 THR CB C 13 68.297 0.3 . 1 . . . . . 10 THR CB . 50555 1 77 . 1 . 1 30 30 THR N N 15 108.812 0.3 . 1 . . . . . 10 THR N . 50555 1 78 . 1 . 1 31 31 SER H H 1 6.763 0.020 . 1 . . . . . 11 SER H . 50555 1 79 . 1 . 1 31 31 SER C C 13 172.309 0.3 . 1 . . . . . 11 SER C . 50555 1 80 . 1 . 1 31 31 SER CA C 13 61.099 0.3 . 1 . . . . . 11 SER CA . 50555 1 81 . 1 . 1 31 31 SER CB C 13 63.536 0.3 . 1 . . . . . 11 SER CB . 50555 1 82 . 1 . 1 31 31 SER N N 15 115.673 0.3 . 1 . . . . . 11 SER N . 50555 1 83 . 1 . 1 32 32 TYR H H 1 7.113 0.020 . 1 . . . . . 12 TYR H . 50555 1 84 . 1 . 1 32 32 TYR C C 13 175.212 0.3 . 1 . . . . . 12 TYR C . 50555 1 85 . 1 . 1 32 32 TYR CA C 13 57.436 0.3 . 1 . . . . . 12 TYR CA . 50555 1 86 . 1 . 1 32 32 TYR CB C 13 34.978 0.3 . 1 . . . . . 12 TYR CB . 50555 1 87 . 1 . 1 32 32 TYR N N 15 109.872 0.3 . 1 . . . . . 12 TYR N . 50555 1 88 . 1 . 1 33 33 LEU H H 1 7.649 0.020 . 1 . . . . . 13 LEU H . 50555 1 89 . 1 . 1 33 33 LEU C C 13 177.904 0.3 . 1 . . . . . 13 LEU C . 50555 1 90 . 1 . 1 33 33 LEU CA C 13 55.573 0.3 . 1 . . . . . 13 LEU CA . 50555 1 91 . 1 . 1 33 33 LEU CB C 13 43.778 0.3 . 1 . . . . . 13 LEU CB . 50555 1 92 . 1 . 1 33 33 LEU N N 15 116.973 0.3 . 1 . . . . . 13 LEU N . 50555 1 93 . 1 . 1 34 34 SER H H 1 8.028 0.020 . 1 . . . . . 14 SER H . 50555 1 94 . 1 . 1 34 34 SER C C 13 175.962 0.3 . 1 . . . . . 14 SER C . 50555 1 95 . 1 . 1 34 34 SER CA C 13 57.841 0.3 . 1 . . . . . 14 SER CA . 50555 1 96 . 1 . 1 34 34 SER CB C 13 64.160 0.3 . 1 . . . . . 14 SER CB . 50555 1 97 . 1 . 1 34 34 SER N N 15 115.332 0.3 . 1 . . . . . 14 SER N . 50555 1 98 . 1 . 1 35 35 GLN H H 1 9.042 0.020 . 1 . . . . . 15 GLN H . 50555 1 99 . 1 . 1 35 35 GLN C C 13 177.165 0.3 . 1 . . . . . 15 GLN C . 50555 1 100 . 1 . 1 35 35 GLN CA C 13 58.402 0.3 . 1 . . . . . 15 GLN CA . 50555 1 101 . 1 . 1 35 35 GLN CB C 13 28.160 0.3 . 1 . . . . . 15 GLN CB . 50555 1 102 . 1 . 1 35 35 GLN N N 15 123.978 0.3 . 1 . . . . . 15 GLN N . 50555 1 103 . 1 . 1 36 36 ASP H H 1 8.327 0.020 . 1 . . . . . 16 ASP H . 50555 1 104 . 1 . 1 36 36 ASP C C 13 179.251 0.3 . 1 . . . . . 16 ASP C . 50555 1 105 . 1 . 1 36 36 ASP CA C 13 57.488 0.3 . 1 . . . . . 16 ASP CA . 50555 1 106 . 1 . 1 36 36 ASP CB C 13 39.791 0.3 . 1 . . . . . 16 ASP CB . 50555 1 107 . 1 . 1 36 36 ASP N N 15 114.455 0.3 . 1 . . . . . 16 ASP N . 50555 1 108 . 1 . 1 37 37 LEU H H 1 7.266 0.020 . 1 . . . . . 17 LEU H . 50555 1 109 . 1 . 1 37 37 LEU C C 13 178.632 0.3 . 1 . . . . . 17 LEU C . 50555 1 110 . 1 . 1 37 37 LEU CA C 13 57.813 0.3 . 1 . . . . . 17 LEU CA . 50555 1 111 . 1 . 1 37 37 LEU CB C 13 42.650 0.3 . 1 . . . . . 17 LEU CB . 50555 1 112 . 1 . 1 37 37 LEU N N 15 120.323 0.3 . 1 . . . . . 17 LEU N . 50555 1 113 . 1 . 1 38 38 ILE H H 1 7.651 0.020 . 1 . . . . . 18 ILE H . 50555 1 114 . 1 . 1 38 38 ILE CA C 13 66.189 0.3 . 1 . . . . . 18 ILE CA . 50555 1 115 . 1 . 1 38 38 ILE N N 15 119.697 0.3 . 1 . . . . . 18 ILE N . 50555 1 116 . 1 . 1 39 39 ASP H H 1 8.434 0.020 . 1 . . . . . 19 ASP H . 50555 1 117 . 1 . 1 39 39 ASP CA C 13 57.094 0.3 . 1 . . . . . 19 ASP CA . 50555 1 118 . 1 . 1 39 39 ASP CB C 13 40.619 0.3 . 1 . . . . . 19 ASP CB . 50555 1 119 . 1 . 1 39 39 ASP N N 15 116.687 0.3 . 1 . . . . . 19 ASP N . 50555 1 120 . 1 . 1 40 40 LYS H H 1 7.716 0.020 . 1 . . . . . 20 LYS H . 50555 1 121 . 1 . 1 40 40 LYS C C 13 178.274 0.3 . 1 . . . . . 20 LYS C . 50555 1 122 . 1 . 1 40 40 LYS CA C 13 59.798 0.3 . 1 . . . . . 20 LYS CA . 50555 1 123 . 1 . 1 40 40 LYS CB C 13 33.248 0.3 . 1 . . . . . 20 LYS CB . 50555 1 124 . 1 . 1 40 40 LYS N N 15 120.276 0.3 . 1 . . . . . 20 LYS N . 50555 1 125 . 1 . 1 41 41 TYR H H 1 7.603 0.020 . 1 . . . . . 21 TYR H . 50555 1 126 . 1 . 1 41 41 TYR C C 13 175.021 0.3 . 1 . . . . . 21 TYR C . 50555 1 127 . 1 . 1 41 41 TYR CA C 13 57.617 0.3 . 1 . . . . . 21 TYR CA . 50555 1 128 . 1 . 1 41 41 TYR CB C 13 38.663 0.3 . 1 . . . . . 21 TYR CB . 50555 1 129 . 1 . 1 41 41 TYR N N 15 112.688 0.3 . 1 . . . . . 21 TYR N . 50555 1 130 . 1 . 1 42 42 ASN H H 1 8.022 0.020 . 1 . . . . . 22 ASN H . 50555 1 131 . 1 . 1 42 42 ASN C C 13 174.852 0.3 . 1 . . . . . 22 ASN C . 50555 1 132 . 1 . 1 42 42 ASN CA C 13 54.082 0.3 . 1 . . . . . 22 ASN CA . 50555 1 133 . 1 . 1 42 42 ASN CB C 13 37.159 0.3 . 1 . . . . . 22 ASN CB . 50555 1 134 . 1 . 1 42 42 ASN N N 15 119.880 0.3 . 1 . . . . . 22 ASN N . 50555 1 135 . 1 . 1 43 43 ILE H H 1 8.042 0.020 . 1 . . . . . 23 ILE H . 50555 1 136 . 1 . 1 43 43 ILE C C 13 176.018 0.3 . 1 . . . . . 23 ILE C . 50555 1 137 . 1 . 1 43 43 ILE CA C 13 62.485 0.3 . 1 . . . . . 23 ILE CA . 50555 1 138 . 1 . 1 43 43 ILE CB C 13 39.340 0.3 . 1 . . . . . 23 ILE CB . 50555 1 139 . 1 . 1 43 43 ILE N N 15 119.387 0.3 . 1 . . . . . 23 ILE N . 50555 1 140 . 1 . 1 44 44 GLN H H 1 8.917 0.020 . 1 . . . . . 24 GLN H . 50555 1 141 . 1 . 1 44 44 GLN C C 13 174.796 0.3 . 1 . . . . . 24 GLN C . 50555 1 142 . 1 . 1 44 44 GLN CA C 13 55.160 0.3 . 1 . . . . . 24 GLN CA . 50555 1 143 . 1 . 1 44 44 GLN CB C 13 28.735 0.3 . 1 . . . . . 24 GLN CB . 50555 1 144 . 1 . 1 44 44 GLN N N 15 126.054 0.3 . 1 . . . . . 24 GLN N . 50555 1 145 . 1 . 1 45 45 ILE H H 1 7.970 0.020 . 1 . . . . . 25 ILE H . 50555 1 146 . 1 . 1 45 45 ILE C C 13 175.998 0.3 . 1 . . . . . 25 ILE C . 50555 1 147 . 1 . 1 45 45 ILE CA C 13 58.219 0.3 . 1 . . . . . 25 ILE CA . 50555 1 148 . 1 . 1 45 45 ILE CB C 13 41.371 0.3 . 1 . . . . . 25 ILE CB . 50555 1 149 . 1 . 1 45 45 ILE N N 15 119.807 0.3 . 1 . . . . . 25 ILE N . 50555 1 150 . 1 . 1 46 46 ALA H H 1 8.046 0.020 . 1 . . . . . 26 ALA H . 50555 1 151 . 1 . 1 46 46 ALA C C 13 174.645 0.3 . 1 . . . . . 26 ALA C . 50555 1 152 . 1 . 1 46 46 ALA CA C 13 47.207 0.3 . 1 . . . . . 26 ALA CA . 50555 1 153 . 1 . 1 46 46 ALA CB C 13 17.153 0.3 . 1 . . . . . 26 ALA CB . 50555 1 154 . 1 . 1 46 46 ALA N N 15 130.397 0.3 . 1 . . . . . 26 ALA N . 50555 1 155 . 1 . 1 48 48 LEU H H 1 8.623 0.020 . 1 . . . . . 28 LEU H . 50555 1 156 . 1 . 1 48 48 LEU CA C 13 58.402 0.3 . 1 . . . . . 28 LEU CA . 50555 1 157 . 1 . 1 48 48 LEU CB C 13 43.627 0.3 . 1 . . . . . 28 LEU CB . 50555 1 158 . 1 . 1 48 48 LEU N N 15 123.574 0.3 . 1 . . . . . 28 LEU N . 50555 1 159 . 1 . 1 49 49 SER H H 1 7.850 0.020 . 1 . . . . . 29 SER H . 50555 1 160 . 1 . 1 49 49 SER C C 13 172.433 0.3 . 1 . . . . . 29 SER C . 50555 1 161 . 1 . 1 49 49 SER CA C 13 57.391 0.3 . 1 . . . . . 29 SER CA . 50555 1 162 . 1 . 1 49 49 SER CB C 13 67.470 0.3 . 1 . . . . . 29 SER CB . 50555 1 163 . 1 . 1 49 49 SER N N 15 110.263 0.3 . 1 . . . . . 29 SER N . 50555 1 164 . 1 . 1 50 50 VAL H H 1 8.456 0.020 . 1 . . . . . 30 VAL H . 50555 1 165 . 1 . 1 50 50 VAL C C 13 173.989 0.3 . 1 . . . . . 30 VAL C . 50555 1 166 . 1 . 1 50 50 VAL CA C 13 60.038 0.3 . 1 . . . . . 30 VAL CA . 50555 1 167 . 1 . 1 50 50 VAL CB C 13 34.978 0.3 . 1 . . . . . 30 VAL CB . 50555 1 168 . 1 . 1 50 50 VAL N N 15 117.518 0.3 . 1 . . . . . 30 VAL N . 50555 1 169 . 1 . 1 51 51 THR H H 1 8.791 0.020 . 1 . . . . . 31 THR H . 50555 1 170 . 1 . 1 51 51 THR C C 13 174.149 0.3 . 1 . . . . . 31 THR C . 50555 1 171 . 1 . 1 51 51 THR CA C 13 61.979 0.3 . 1 . . . . . 31 THR CA . 50555 1 172 . 1 . 1 51 51 THR CB C 13 71.381 0.3 . 1 . . . . . 31 THR CB . 50555 1 173 . 1 . 1 51 51 THR N N 15 121.132 0.3 . 1 . . . . . 31 THR N . 50555 1 174 . 1 . 1 52 52 PHE H H 1 9.001 0.020 . 1 . . . . . 32 PHE H . 50555 1 175 . 1 . 1 52 52 PHE C C 13 177.741 0.3 . 1 . . . . . 32 PHE C . 50555 1 176 . 1 . 1 52 52 PHE CA C 13 57.984 0.3 . 1 . . . . . 32 PHE CA . 50555 1 177 . 1 . 1 52 52 PHE CB C 13 41.521 0.3 . 1 . . . . . 32 PHE CB . 50555 1 178 . 1 . 1 52 52 PHE N N 15 125.710 0.3 . 1 . . . . . 32 PHE N . 50555 1 179 . 1 . 1 53 53 ASP H H 1 9.130 0.020 . 1 . . . . . 33 ASP H . 50555 1 180 . 1 . 1 53 53 ASP C C 13 176.323 0.3 . 1 . . . . . 33 ASP C . 50555 1 181 . 1 . 1 53 53 ASP CA C 13 56.769 0.3 . 1 . . . . . 33 ASP CA . 50555 1 182 . 1 . 1 53 53 ASP CB C 13 40.243 0.3 . 1 . . . . . 33 ASP CB . 50555 1 183 . 1 . 1 53 53 ASP N N 15 121.419 0.3 . 1 . . . . . 33 ASP N . 50555 1 184 . 1 . 1 54 54 ASP H H 1 7.734 0.020 . 1 . . . . . 34 ASP H . 50555 1 185 . 1 . 1 54 54 ASP C C 13 177.501 0.3 . 1 . . . . . 34 ASP C . 50555 1 186 . 1 . 1 54 54 ASP CA C 13 53.688 0.3 . 1 . . . . . 34 ASP CA . 50555 1 187 . 1 . 1 54 54 ASP N N 15 117.092 0.3 . 1 . . . . . 34 ASP N . 50555 1 188 . 1 . 1 55 55 GLY H H 1 8.206 0.020 . 1 . . . . . 35 GLY H . 50555 1 189 . 1 . 1 55 55 GLY C C 13 174.950 0.3 . 1 . . . . . 35 GLY C . 50555 1 190 . 1 . 1 55 55 GLY CA C 13 44.981 0.3 . 1 . . . . . 35 GLY CA . 50555 1 191 . 1 . 1 55 55 GLY N N 15 108.549 0.3 . 1 . . . . . 35 GLY N . 50555 1 192 . 1 . 1 56 56 LYS H H 1 7.820 0.020 . 1 . . . . . 36 LYS H . 50555 1 193 . 1 . 1 56 56 LYS C C 13 175.005 0.3 . 1 . . . . . 36 LYS C . 50555 1 194 . 1 . 1 56 56 LYS CA C 13 56.865 0.3 . 1 . . . . . 36 LYS CA . 50555 1 195 . 1 . 1 56 56 LYS CB C 13 32.120 0.3 . 1 . . . . . 36 LYS CB . 50555 1 196 . 1 . 1 56 56 LYS N N 15 121.685 0.3 . 1 . . . . . 36 LYS N . 50555 1 197 . 1 . 1 57 57 ASN H H 1 8.375 0.020 . 1 . . . . . 37 ASN H . 50555 1 198 . 1 . 1 57 57 ASN C C 13 174.149 0.3 . 1 . . . . . 37 ASN C . 50555 1 199 . 1 . 1 57 57 ASN CA C 13 52.542 0.3 . 1 . . . . . 37 ASN CA . 50555 1 200 . 1 . 1 57 57 ASN CB C 13 42.800 0.3 . 1 . . . . . 37 ASN CB . 50555 1 201 . 1 . 1 57 57 ASN N N 15 123.690 0.3 . 1 . . . . . 37 ASN N . 50555 1 202 . 1 . 1 58 58 PHE H H 1 9.083 0.020 . 1 . . . . . 38 PHE H . 50555 1 203 . 1 . 1 58 58 PHE C C 13 174.790 0.3 . 1 . . . . . 38 PHE C . 50555 1 204 . 1 . 1 58 58 PHE CA C 13 57.026 0.3 . 1 . . . . . 38 PHE CA . 50555 1 205 . 1 . 1 58 58 PHE CB C 13 41.269 0.3 . 1 . . . . . 38 PHE CB . 50555 1 206 . 1 . 1 58 58 PHE N N 15 120.308 0.3 . 1 . . . . . 38 PHE N . 50555 1 207 . 1 . 1 59 59 THR H H 1 8.648 0.020 . 1 . . . . . 39 THR H . 50555 1 208 . 1 . 1 59 59 THR C C 13 175.202 0.3 . 1 . . . . . 39 THR C . 50555 1 209 . 1 . 1 59 59 THR CA C 13 61.660 0.3 . 1 . . . . . 39 THR CA . 50555 1 210 . 1 . 1 59 59 THR CB C 13 70.027 0.3 . 1 . . . . . 39 THR CB . 50555 1 211 . 1 . 1 59 59 THR N N 15 117.867 0.3 . 1 . . . . . 39 THR N . 50555 1 212 . 1 . 1 60 60 GLU H H 1 8.418 0.020 . 1 . . . . . 40 GLU H . 50555 1 213 . 1 . 1 60 60 GLU C C 13 174.950 0.3 . 1 . . . . . 40 GLU C . 50555 1 214 . 1 . 1 60 60 GLU CA C 13 60.158 0.3 . 1 . . . . . 40 GLU CA . 50555 1 215 . 1 . 1 60 60 GLU CB C 13 29.262 0.3 . 1 . . . . . 40 GLU CB . 50555 1 216 . 1 . 1 60 60 GLU N N 15 124.334 0.3 . 1 . . . . . 40 GLU N . 50555 1 217 . 1 . 1 61 61 SER H H 1 7.412 0.020 . 1 . . . . . 41 SER H . 50555 1 218 . 1 . 1 61 61 SER C C 13 174.767 0.3 . 1 . . . . . 41 SER C . 50555 1 219 . 1 . 1 61 61 SER CA C 13 57.984 0.3 . 1 . . . . . 41 SER CA . 50555 1 220 . 1 . 1 61 61 SER CB C 13 64.762 0.3 . 1 . . . . . 41 SER CB . 50555 1 221 . 1 . 1 61 61 SER N N 15 115.088 0.3 . 1 . . . . . 41 SER N . 50555 1 222 . 1 . 1 63 63 GLU H H 1 8.316 0.020 . 1 . . . . . 43 GLU H . 50555 1 223 . 1 . 1 63 63 GLU C C 13 176.620 0.3 . 1 . . . . . 43 GLU C . 50555 1 224 . 1 . 1 63 63 GLU CA C 13 57.573 0.3 . 1 . . . . . 43 GLU CA . 50555 1 225 . 1 . 1 63 63 GLU CB C 13 30.315 0.3 . 1 . . . . . 43 GLU CB . 50555 1 226 . 1 . 1 63 63 GLU N N 15 117.764 0.3 . 1 . . . . . 43 GLU N . 50555 1 227 . 1 . 1 64 64 ILE H H 1 7.256 0.020 . 1 . . . . . 44 ILE H . 50555 1 228 . 1 . 1 64 64 ILE C C 13 174.813 0.3 . 1 . . . . . 44 ILE C . 50555 1 229 . 1 . 1 64 64 ILE CA C 13 59.798 0.3 . 1 . . . . . 44 ILE CA . 50555 1 230 . 1 . 1 64 64 ILE CB C 13 39.039 0.3 . 1 . . . . . 44 ILE CB . 50555 1 231 . 1 . 1 64 64 ILE N N 15 119.366 0.3 . 1 . . . . . 44 ILE N . 50555 1 232 . 1 . 1 65 65 ALA H H 1 8.568 0.020 . 1 . . . . . 45 ALA H . 50555 1 233 . 1 . 1 65 65 ALA C C 13 178.680 0.3 . 1 . . . . . 45 ALA C . 50555 1 234 . 1 . 1 65 65 ALA CA C 13 51.327 0.3 . 1 . . . . . 45 ALA CA . 50555 1 235 . 1 . 1 65 65 ALA CB C 13 18.173 0.3 . 1 . . . . . 45 ALA CB . 50555 1 236 . 1 . 1 65 65 ALA N N 15 130.904 0.3 . 1 . . . . . 45 ALA N . 50555 1 237 . 1 . 1 66 66 ILE H H 1 8.670 0.020 . 1 . . . . . 46 ILE H . 50555 1 238 . 1 . 1 66 66 ILE C C 13 176.803 0.3 . 1 . . . . . 46 ILE C . 50555 1 239 . 1 . 1 66 66 ILE CA C 13 61.630 0.3 . 1 . . . . . 46 ILE CA . 50555 1 240 . 1 . 1 66 66 ILE CB C 13 38.964 0.3 . 1 . . . . . 46 ILE CB . 50555 1 241 . 1 . 1 66 66 ILE N N 15 128.170 0.3 . 1 . . . . . 46 ILE N . 50555 1 242 . 1 . 1 67 67 GLU H H 1 9.264 0.020 . 1 . . . . . 47 GLU H . 50555 1 243 . 1 . 1 67 67 GLU C C 13 179.412 0.3 . 1 . . . . . 47 GLU C . 50555 1 244 . 1 . 1 67 67 GLU CA C 13 60.671 0.3 . 1 . . . . . 47 GLU CA . 50555 1 245 . 1 . 1 67 67 GLU CB C 13 28.886 0.3 . 1 . . . . . 47 GLU CB . 50555 1 246 . 1 . 1 67 67 GLU N N 15 122.832 0.3 . 1 . . . . . 47 GLU N . 50555 1 247 . 1 . 1 68 68 GLU H H 1 7.235 0.020 . 1 . . . . . 48 GLU H . 50555 1 248 . 1 . 1 68 68 GLU C C 13 179.252 0.3 . 1 . . . . . 48 GLU C . 50555 1 249 . 1 . 1 68 68 GLU CA C 13 59.114 0.3 . 1 . . . . . 48 GLU CA . 50555 1 250 . 1 . 1 68 68 GLU CB C 13 29.337 0.3 . 1 . . . . . 48 GLU CB . 50555 1 251 . 1 . 1 68 68 GLU N N 15 118.060 0.3 . 1 . . . . . 48 GLU N . 50555 1 252 . 1 . 1 69 69 PHE H H 1 7.640 0.020 . 1 . . . . . 49 PHE H . 50555 1 253 . 1 . 1 69 69 PHE C C 13 177.078 0.3 . 1 . . . . . 49 PHE C . 50555 1 254 . 1 . 1 69 69 PHE CA C 13 63.084 0.3 . 1 . . . . . 49 PHE CA . 50555 1 255 . 1 . 1 69 69 PHE CB C 13 38.588 0.3 . 1 . . . . . 49 PHE CB . 50555 1 256 . 1 . 1 69 69 PHE N N 15 120.866 0.3 . 1 . . . . . 49 PHE N . 50555 1 257 . 1 . 1 70 70 TYR H H 1 8.275 0.020 . 1 . . . . . 50 TYR H . 50555 1 258 . 1 . 1 70 70 TYR C C 13 179.835 0.3 . 1 . . . . . 50 TYR C . 50555 1 259 . 1 . 1 70 70 TYR CA C 13 64.010 0.3 . 1 . . . . . 50 TYR CA . 50555 1 260 . 1 . 1 70 70 TYR CB C 13 37.986 0.3 . 1 . . . . . 50 TYR CB . 50555 1 261 . 1 . 1 70 70 TYR N N 15 117.735 0.3 . 1 . . . . . 50 TYR N . 50555 1 262 . 1 . 1 71 71 ASN H H 1 8.097 0.020 . 1 . . . . . 51 ASN H . 50555 1 263 . 1 . 1 71 71 ASN C C 13 177.741 0.3 . 1 . . . . . 51 ASN C . 50555 1 264 . 1 . 1 71 71 ASN CA C 13 56.837 0.3 . 1 . . . . . 51 ASN CA . 50555 1 265 . 1 . 1 71 71 ASN CB C 13 38.513 0.3 . 1 . . . . . 51 ASN CB . 50555 1 266 . 1 . 1 71 71 ASN N N 15 118.586 0.3 . 1 . . . . . 51 ASN N . 50555 1 267 . 1 . 1 72 72 LYS H H 1 7.906 0.020 . 1 . . . . . 52 LYS H . 50555 1 268 . 1 . 1 72 72 LYS CA C 13 58.823 0.3 . 1 . . . . . 52 LYS CA . 50555 1 269 . 1 . 1 72 72 LYS CB C 13 31.669 0.3 . 1 . . . . . 52 LYS CB . 50555 1 270 . 1 . 1 72 72 LYS N N 15 121.979 0.3 . 1 . . . . . 52 LYS N . 50555 1 271 . 1 . 1 73 73 MET H H 1 8.200 0.020 . 1 . . . . . 53 MET H . 50555 1 272 . 1 . 1 73 73 MET C C 13 178.062 0.3 . 1 . . . . . 53 MET C . 50555 1 273 . 1 . 1 73 73 MET CA C 13 60.363 0.3 . 1 . . . . . 53 MET CA . 50555 1 274 . 1 . 1 73 73 MET N N 15 119.190 0.3 . 1 . . . . . 53 MET N . 50555 1 275 . 1 . 1 74 74 ALA H H 1 7.930 0.020 . 1 . . . . . 54 ALA H . 50555 1 276 . 1 . 1 74 74 ALA C C 13 179.236 0.3 . 1 . . . . . 54 ALA C . 50555 1 277 . 1 . 1 74 74 ALA CA C 13 54.569 0.3 . 1 . . . . . 54 ALA CA . 50555 1 278 . 1 . 1 74 74 ALA CB C 13 18.429 0.3 . 1 . . . . . 54 ALA CB . 50555 1 279 . 1 . 1 74 74 ALA N N 15 119.114 0.3 . 1 . . . . . 54 ALA N . 50555 1 280 . 1 . 1 75 75 SER H H 1 7.551 0.020 . 1 . . . . . 55 SER H . 50555 1 281 . 1 . 1 75 75 SER CA C 13 59.319 0.3 . 1 . . . . . 55 SER CA . 50555 1 282 . 1 . 1 75 75 SER CB C 13 64.085 0.3 . 1 . . . . . 55 SER CB . 50555 1 283 . 1 . 1 75 75 SER N N 15 110.718 0.3 . 1 . . . . . 55 SER N . 50555 1 284 . 1 . 1 76 76 SER H H 1 7.391 0.020 . 1 . . . . . 56 SER H . 50555 1 285 . 1 . 1 76 76 SER CA C 13 58.745 0.3 . 1 . . . . . 56 SER CA . 50555 1 286 . 1 . 1 76 76 SER CB C 13 64.762 0.3 . 1 . . . . . 56 SER CB . 50555 1 287 . 1 . 1 76 76 SER N N 15 116.734 0.3 . 1 . . . . . 56 SER N . 50555 1 288 . 1 . 1 77 77 GLN H H 1 7.942 0.020 . 1 . . . . . 57 GLN H . 50555 1 289 . 1 . 1 77 77 GLN CA C 13 58.104 0.3 . 1 . . . . . 57 GLN CA . 50555 1 290 . 1 . 1 77 77 GLN CB C 13 28.827 0.3 . 1 . . . . . 57 GLN CB . 50555 1 291 . 1 . 1 77 77 GLN N N 15 110.853 0.3 . 1 . . . . . 57 GLN N . 50555 1 292 . 1 . 1 78 78 THR H H 1 7.706 0.020 . 1 . . . . . 58 THR H . 50555 1 293 . 1 . 1 78 78 THR C C 13 174.289 0.3 . 1 . . . . . 58 THR C . 50555 1 294 . 1 . 1 78 78 THR CA C 13 60.024 0.3 . 1 . . . . . 58 THR CA . 50555 1 295 . 1 . 1 78 78 THR CB C 13 71.155 0.3 . 1 . . . . . 58 THR CB . 50555 1 296 . 1 . 1 78 78 THR N N 15 110.004 0.3 . 1 . . . . . 58 THR N . 50555 1 297 . 1 . 1 79 79 ILE H H 1 8.414 0.020 . 1 . . . . . 59 ILE H . 50555 1 298 . 1 . 1 79 79 ILE C C 13 174.561 0.3 . 1 . . . . . 59 ILE C . 50555 1 299 . 1 . 1 79 79 ILE CA C 13 59.572 0.3 . 1 . . . . . 59 ILE CA . 50555 1 300 . 1 . 1 79 79 ILE CB C 13 39.190 0.3 . 1 . . . . . 59 ILE CB . 50555 1 301 . 1 . 1 79 79 ILE N N 15 125.149 0.3 . 1 . . . . . 59 ILE N . 50555 1 302 . 1 . 1 81 81 THR H H 1 7.943 0.020 . 1 . . . . . 61 THR H . 50555 1 303 . 1 . 1 81 81 THR C C 13 174.355 0.3 . 1 . . . . . 61 THR C . 50555 1 304 . 1 . 1 81 81 THR CA C 13 60.518 0.3 . 1 . . . . . 61 THR CA . 50555 1 305 . 1 . 1 81 81 THR CB C 13 71.306 0.3 . 1 . . . . . 61 THR CB . 50555 1 306 . 1 . 1 81 81 THR N N 15 110.153 0.3 . 1 . . . . . 61 THR N . 50555 1 307 . 1 . 1 82 82 THR H H 1 8.423 0.020 . 1 . . . . . 62 THR H . 50555 1 308 . 1 . 1 82 82 THR C C 13 173.875 0.3 . 1 . . . . . 62 THR C . 50555 1 309 . 1 . 1 82 82 THR CA C 13 60.550 0.3 . 1 . . . . . 62 THR CA . 50555 1 310 . 1 . 1 82 82 THR CB C 13 71.606 0.3 . 1 . . . . . 62 THR CB . 50555 1 311 . 1 . 1 82 82 THR N N 15 112.766 0.3 . 1 . . . . . 62 THR N . 50555 1 312 . 1 . 1 83 83 SER H H 1 8.204 0.020 . 1 . . . . . 63 SER H . 50555 1 313 . 1 . 1 83 83 SER C C 13 172.799 0.3 . 1 . . . . . 63 SER C . 50555 1 314 . 1 . 1 83 83 SER CA C 13 58.068 0.3 . 1 . . . . . 63 SER CA . 50555 1 315 . 1 . 1 83 83 SER CB C 13 66.191 0.3 . 1 . . . . . 63 SER CB . 50555 1 316 . 1 . 1 83 83 SER N N 15 112.443 0.3 . 1 . . . . . 63 SER N . 50555 1 317 . 1 . 1 84 84 GLN H H 1 8.212 0.020 . 1 . . . . . 64 GLN H . 50555 1 318 . 1 . 1 84 84 GLN C C 13 171.998 0.3 . 1 . . . . . 64 GLN C . 50555 1 319 . 1 . 1 84 84 GLN CA C 13 54.441 0.3 . 1 . . . . . 64 GLN CA . 50555 1 320 . 1 . 1 84 84 GLN CB C 13 25.351 0.3 . 1 . . . . . 64 GLN CB . 50555 1 321 . 1 . 1 84 84 GLN N N 15 121.769 0.3 . 1 . . . . . 64 GLN N . 50555 1 322 . 1 . 1 86 86 ALA H H 1 8.413 0.020 . 1 . . . . . 66 ALA H . 50555 1 323 . 1 . 1 86 86 ALA C C 13 179.046 0.3 . 1 . . . . . 66 ALA C . 50555 1 324 . 1 . 1 86 86 ALA CA C 13 51.525 0.3 . 1 . . . . . 66 ALA CA . 50555 1 325 . 1 . 1 86 86 ALA CB C 13 19.258 0.3 . 1 . . . . . 66 ALA CB . 50555 1 326 . 1 . 1 86 86 ALA N N 15 125.570 0.3 . 1 . . . . . 66 ALA N . 50555 1 327 . 1 . 1 87 87 ILE H H 1 8.648 0.020 . 1 . . . . . 67 ILE H . 50555 1 328 . 1 . 1 87 87 ILE C C 13 178.353 0.3 . 1 . . . . . 67 ILE C . 50555 1 329 . 1 . 1 87 87 ILE CA C 13 65.965 0.3 . 1 . . . . . 67 ILE CA . 50555 1 330 . 1 . 1 87 87 ILE CB C 13 37.986 0.3 . 1 . . . . . 67 ILE CB . 50555 1 331 . 1 . 1 87 87 ILE N N 15 122.240 0.3 . 1 . . . . . 67 ILE N . 50555 1 332 . 1 . 1 88 88 GLY H H 1 8.564 0.020 . 1 . . . . . 68 GLY H . 50555 1 333 . 1 . 1 88 88 GLY C C 13 176.450 0.3 . 1 . . . . . 68 GLY C . 50555 1 334 . 1 . 1 88 88 GLY CA C 13 46.912 0.3 . 1 . . . . . 68 GLY CA . 50555 1 335 . 1 . 1 88 88 GLY N N 15 102.977 0.3 . 1 . . . . . 68 GLY N . 50555 1 336 . 1 . 1 89 89 GLU H H 1 7.279 0.020 . 1 . . . . . 69 GLU H . 50555 1 337 . 1 . 1 89 89 GLU C C 13 179.069 0.3 . 1 . . . . . 69 GLU C . 50555 1 338 . 1 . 1 89 89 GLU CA C 13 58.886 0.3 . 1 . . . . . 69 GLU CA . 50555 1 339 . 1 . 1 89 89 GLU CB C 13 29.036 0.3 . 1 . . . . . 69 GLU CB . 50555 1 340 . 1 . 1 89 89 GLU N N 15 120.497 0.3 . 1 . . . . . 69 GLU N . 50555 1 341 . 1 . 1 90 90 TRP H H 1 6.882 0.020 . 1 . . . . . 70 TRP H . 50555 1 342 . 1 . 1 90 90 TRP C C 13 177.307 0.3 . 1 . . . . . 70 TRP C . 50555 1 343 . 1 . 1 90 90 TRP CA C 13 60.089 0.3 . 1 . . . . . 70 TRP CA . 50555 1 344 . 1 . 1 90 90 TRP CB C 13 30.089 0.3 . 1 . . . . . 70 TRP CB . 50555 1 345 . 1 . 1 90 90 TRP N N 15 117.740 0.3 . 1 . . . . . 70 TRP N . 50555 1 346 . 1 . 1 91 91 ILE H H 1 7.864 0.020 . 1 . . . . . 71 ILE H . 50555 1 347 . 1 . 1 91 91 ILE C C 13 177.467 0.3 . 1 . . . . . 71 ILE C . 50555 1 348 . 1 . 1 91 91 ILE CA C 13 66.567 0.3 . 1 . . . . . 71 ILE CA . 50555 1 349 . 1 . 1 91 91 ILE CB C 13 37.911 0.3 . 1 . . . . . 71 ILE CB . 50555 1 350 . 1 . 1 91 91 ILE N N 15 114.614 0.3 . 1 . . . . . 71 ILE N . 50555 1 351 . 1 . 1 92 92 THR H H 1 7.692 0.020 . 1 . . . . . 72 THR H . 50555 1 352 . 1 . 1 92 92 THR C C 13 177.597 0.3 . 1 . . . . . 72 THR C . 50555 1 353 . 1 . 1 92 92 THR CA C 13 66.718 0.3 . 1 . . . . . 72 THR CA . 50555 1 354 . 1 . 1 92 92 THR CB C 13 69.124 0.3 . 1 . . . . . 72 THR CB . 50555 1 355 . 1 . 1 92 92 THR N N 15 112.468 0.3 . 1 . . . . . 72 THR N . 50555 1 356 . 1 . 1 93 93 LYS H H 1 6.927 0.020 . 1 . . . . . 73 LYS H . 50555 1 357 . 1 . 1 93 93 LYS C C 13 178.268 0.3 . 1 . . . . . 73 LYS C . 50555 1 358 . 1 . 1 93 93 LYS CA C 13 58.121 0.3 . 1 . . . . . 73 LYS CA . 50555 1 359 . 1 . 1 93 93 LYS CB C 13 32.496 0.3 . 1 . . . . . 73 LYS CB . 50555 1 360 . 1 . 1 93 93 LYS N N 15 119.599 0.3 . 1 . . . . . 73 LYS N . 50555 1 361 . 1 . 1 94 94 TYR H H 1 8.717 0.020 . 1 . . . . . 74 TYR H . 50555 1 362 . 1 . 1 94 94 TYR C C 13 179.343 0.3 . 1 . . . . . 74 TYR C . 50555 1 363 . 1 . 1 94 94 TYR CA C 13 57.316 0.3 . 1 . . . . . 74 TYR CA . 50555 1 364 . 1 . 1 94 94 TYR CB C 13 36.858 0.3 . 1 . . . . . 74 TYR CB . 50555 1 365 . 1 . 1 94 94 TYR N N 15 118.256 0.3 . 1 . . . . . 74 TYR N . 50555 1 366 . 1 . 1 95 95 GLU H H 1 8.771 0.020 . 1 . . . . . 75 GLU H . 50555 1 367 . 1 . 1 95 95 GLU C C 13 178.060 0.3 . 1 . . . . . 75 GLU C . 50555 1 368 . 1 . 1 95 95 GLU CA C 13 60.701 0.3 . 1 . . . . . 75 GLU CA . 50555 1 369 . 1 . 1 95 95 GLU CB C 13 31.845 0.3 . 1 . . . . . 75 GLU CB . 50555 1 370 . 1 . 1 95 95 GLU N N 15 117.079 0.3 . 1 . . . . . 75 GLU N . 50555 1 371 . 1 . 1 96 96 MET H H 1 7.688 0.020 . 1 . . . . . 76 MET H . 50555 1 372 . 1 . 1 96 96 MET C C 13 179.421 0.3 . 1 . . . . . 76 MET C . 50555 1 373 . 1 . 1 96 96 MET CA C 13 59.451 0.3 . 1 . . . . . 76 MET CA . 50555 1 374 . 1 . 1 96 96 MET CB C 13 32.734 0.3 . 1 . . . . . 76 MET CB . 50555 1 375 . 1 . 1 96 96 MET N N 15 118.777 0.3 . 1 . . . . . 76 MET N . 50555 1 376 . 1 . 1 97 97 LEU H H 1 7.905 0.020 . 1 . . . . . 77 LEU H . 50555 1 377 . 1 . 1 97 97 LEU C C 13 180.213 0.3 . 1 . . . . . 77 LEU C . 50555 1 378 . 1 . 1 97 97 LEU CA C 13 57.993 0.3 . 1 . . . . . 77 LEU CA . 50555 1 379 . 1 . 1 97 97 LEU CB C 13 41.134 0.3 . 1 . . . . . 77 LEU CB . 50555 1 380 . 1 . 1 97 97 LEU N N 15 119.204 0.3 . 1 . . . . . 77 LEU N . 50555 1 381 . 1 . 1 98 98 ARG H H 1 8.668 0.020 . 1 . . . . . 78 ARG H . 50555 1 382 . 1 . 1 98 98 ARG C C 13 181.006 0.3 . 1 . . . . . 78 ARG C . 50555 1 383 . 1 . 1 98 98 ARG CA C 13 58.840 0.3 . 1 . . . . . 78 ARG CA . 50555 1 384 . 1 . 1 98 98 ARG CB C 13 30.014 0.3 . 1 . . . . . 78 ARG CB . 50555 1 385 . 1 . 1 98 98 ARG N N 15 123.290 0.3 . 1 . . . . . 78 ARG N . 50555 1 386 . 1 . 1 99 99 ASP H H 1 8.490 0.020 . 1 . . . . . 79 ASP H . 50555 1 387 . 1 . 1 99 99 ASP C C 13 177.856 0.3 . 1 . . . . . 79 ASP C . 50555 1 388 . 1 . 1 99 99 ASP CA C 13 57.328 0.3 . 1 . . . . . 79 ASP CA . 50555 1 389 . 1 . 1 99 99 ASP CB C 13 39.641 0.3 . 1 . . . . . 79 ASP CB . 50555 1 390 . 1 . 1 99 99 ASP N N 15 120.318 0.3 . 1 . . . . . 79 ASP N . 50555 1 391 . 1 . 1 100 100 GLN H H 1 7.674 0.020 . 1 . . . . . 80 GLN H . 50555 1 392 . 1 . 1 100 100 GLN C C 13 176.390 0.3 . 1 . . . . . 80 GLN C . 50555 1 393 . 1 . 1 100 100 GLN CA C 13 56.769 0.3 . 1 . . . . . 80 GLN CA . 50555 1 394 . 1 . 1 100 100 GLN CB C 13 29.563 0.3 . 1 . . . . . 80 GLN CB . 50555 1 395 . 1 . 1 100 100 GLN N N 15 118.646 0.3 . 1 . . . . . 80 GLN N . 50555 1 396 . 1 . 1 101 101 GLY H H 1 8.139 0.020 . 1 . . . . . 81 GLY H . 50555 1 397 . 1 . 1 101 101 GLY CA C 13 45.056 0.3 . 1 . . . . . 81 GLY CA . 50555 1 398 . 1 . 1 101 101 GLY N N 15 106.994 0.3 . 1 . . . . . 81 GLY N . 50555 1 399 . 1 . 1 102 102 TYR H H 1 7.716 0.020 . 1 . . . . . 82 TYR H . 50555 1 400 . 1 . 1 102 102 TYR C C 13 176.030 0.3 . 1 . . . . . 82 TYR C . 50555 1 401 . 1 . 1 102 102 TYR CA C 13 60.625 0.3 . 1 . . . . . 82 TYR CA . 50555 1 402 . 1 . 1 102 102 TYR CB C 13 36.708 0.3 . 1 . . . . . 82 TYR CB . 50555 1 403 . 1 . 1 102 102 TYR N N 15 118.195 0.3 . 1 . . . . . 82 TYR N . 50555 1 404 . 1 . 1 103 103 THR H H 1 9.229 0.020 . 1 . . . . . 83 THR H . 50555 1 405 . 1 . 1 103 103 THR C C 13 176.154 0.3 . 1 . . . . . 83 THR C . 50555 1 406 . 1 . 1 103 103 THR CA C 13 62.588 0.3 . 1 . . . . . 83 THR CA . 50555 1 407 . 1 . 1 103 103 THR CB C 13 70.403 0.3 . 1 . . . . . 83 THR CB . 50555 1 408 . 1 . 1 103 103 THR N N 15 112.217 0.3 . 1 . . . . . 83 THR N . 50555 1 409 . 1 . 1 104 104 ASP H H 1 7.728 0.020 . 1 . . . . . 84 ASP H . 50555 1 410 . 1 . 1 104 104 ASP C C 13 173.715 0.3 . 1 . . . . . 84 ASP C . 50555 1 411 . 1 . 1 104 104 ASP CA C 13 53.363 0.3 . 1 . . . . . 84 ASP CA . 50555 1 412 . 1 . 1 104 104 ASP CB C 13 41.269 0.3 . 1 . . . . . 84 ASP CB . 50555 1 413 . 1 . 1 104 104 ASP N N 15 122.226 0.3 . 1 . . . . . 84 ASP N . 50555 1 414 . 1 . 1 105 105 ILE H H 1 8.919 0.020 . 1 . . . . . 85 ILE H . 50555 1 415 . 1 . 1 105 105 ILE C C 13 174.927 0.3 . 1 . . . . . 85 ILE C . 50555 1 416 . 1 . 1 105 105 ILE CA C 13 59.572 0.3 . 1 . . . . . 85 ILE CA . 50555 1 417 . 1 . 1 105 105 ILE CB C 13 41.747 0.3 . 1 . . . . . 85 ILE CB . 50555 1 418 . 1 . 1 105 105 ILE N N 15 120.548 0.3 . 1 . . . . . 85 ILE N . 50555 1 419 . 1 . 1 106 106 ILE H H 1 9.253 0.020 . 1 . . . . . 86 ILE H . 50555 1 420 . 1 . 1 106 106 ILE C C 13 174.103 0.3 . 1 . . . . . 86 ILE C . 50555 1 421 . 1 . 1 106 106 ILE CA C 13 59.798 0.3 . 1 . . . . . 86 ILE CA . 50555 1 422 . 1 . 1 106 106 ILE CB C 13 37.986 0.3 . 1 . . . . . 86 ILE CB . 50555 1 423 . 1 . 1 106 106 ILE N N 15 129.152 0.3 . 1 . . . . . 86 ILE N . 50555 1 424 . 1 . 1 107 107 VAL H H 1 8.289 0.020 . 1 . . . . . 87 VAL H . 50555 1 425 . 1 . 1 107 107 VAL C C 13 174.404 0.3 . 1 . . . . . 87 VAL C . 50555 1 426 . 1 . 1 107 107 VAL CA C 13 60.671 0.3 . 1 . . . . . 87 VAL CA . 50555 1 427 . 1 . 1 107 107 VAL CB C 13 33.774 0.3 . 1 . . . . . 87 VAL CB . 50555 1 428 . 1 . 1 107 107 VAL N N 15 127.472 0.3 . 1 . . . . . 87 VAL N . 50555 1 429 . 1 . 1 108 108 ILE H H 1 8.658 0.020 . 1 . . . . . 88 ILE H . 50555 1 430 . 1 . 1 108 108 ILE C C 13 175.911 0.3 . 1 . . . . . 88 ILE C . 50555 1 431 . 1 . 1 108 108 ILE CA C 13 59.904 0.3 . 1 . . . . . 88 ILE CA . 50555 1 432 . 1 . 1 108 108 ILE CB C 13 37.460 0.3 . 1 . . . . . 88 ILE CB . 50555 1 433 . 1 . 1 108 108 ILE N N 15 126.850 0.3 . 1 . . . . . 88 ILE N . 50555 1 434 . 1 . 1 109 109 CYS H H 1 8.162 0.020 . 1 . . . . . 89 CYS H . 50555 1 435 . 1 . 1 109 109 CYS C C 13 175.796 0.3 . 1 . . . . . 89 CYS C . 50555 1 436 . 1 . 1 109 109 CYS CA C 13 58.344 0.3 . 1 . . . . . 89 CYS CA . 50555 1 437 . 1 . 1 109 109 CYS CB C 13 32.496 0.3 . 1 . . . . . 89 CYS CB . 50555 1 438 . 1 . 1 109 109 CYS N N 15 122.876 0.3 . 1 . . . . . 89 CYS N . 50555 1 439 . 1 . 1 110 110 LEU H H 1 9.990 0.020 . 1 . . . . . 90 LEU H . 50555 1 440 . 1 . 1 110 110 LEU C C 13 175.379 0.3 . 1 . . . . . 90 LEU C . 50555 1 441 . 1 . 1 110 110 LEU CA C 13 55.436 0.3 . 1 . . . . . 90 LEU CA . 50555 1 442 . 1 . 1 110 110 LEU CB C 13 43.101 0.3 . 1 . . . . . 90 LEU CB . 50555 1 443 . 1 . 1 110 110 LEU N N 15 129.798 0.3 . 1 . . . . . 90 LEU N . 50555 1 444 . 1 . 1 111 111 SER H H 1 8.049 0.020 . 1 . . . . . 91 SER H . 50555 1 445 . 1 . 1 111 111 SER C C 13 178.130 0.3 . 1 . . . . . 91 SER C . 50555 1 446 . 1 . 1 111 111 SER CA C 13 58.068 0.3 . 1 . . . . . 91 SER CA . 50555 1 447 . 1 . 1 111 111 SER CB C 13 62.957 0.3 . 1 . . . . . 91 SER CB . 50555 1 448 . 1 . 1 111 111 SER N N 15 113.196 0.3 . 1 . . . . . 91 SER N . 50555 1 449 . 1 . 1 112 112 SER H H 1 9.088 0.020 . 1 . . . . . 92 SER H . 50555 1 450 . 1 . 1 112 112 SER CA C 13 60.658 0.3 . 1 . . . . . 92 SER CA . 50555 1 451 . 1 . 1 112 112 SER N N 15 126.548 0.3 . 1 . . . . . 92 SER N . 50555 1 452 . 1 . 1 113 113 GLY H H 1 8.427 0.020 . 1 . . . . . 93 GLY H . 50555 1 453 . 1 . 1 113 113 GLY CA C 13 45.959 0.3 . 1 . . . . . 93 GLY CA . 50555 1 454 . 1 . 1 113 113 GLY N N 15 108.484 0.3 . 1 . . . . . 93 GLY N . 50555 1 455 . 1 . 1 114 114 ILE H H 1 6.982 0.020 . 1 . . . . . 94 ILE H . 50555 1 456 . 1 . 1 114 114 ILE CA C 13 60.163 0.3 . 1 . . . . . 94 ILE CA . 50555 1 457 . 1 . 1 114 114 ILE CB C 13 39.204 0.3 . 1 . . . . . 94 ILE CB . 50555 1 458 . 1 . 1 114 114 ILE N N 15 106.589 0.3 . 1 . . . . . 94 ILE N . 50555 1 459 . 1 . 1 115 115 SER H H 1 7.238 0.020 . 1 . . . . . 95 SER H . 50555 1 460 . 1 . 1 115 115 SER C C 13 174.790 0.3 . 1 . . . . . 95 SER C . 50555 1 461 . 1 . 1 115 115 SER CA C 13 57.692 0.3 . 1 . . . . . 95 SER CA . 50555 1 462 . 1 . 1 115 115 SER CB C 13 64.612 0.3 . 1 . . . . . 95 SER CB . 50555 1 463 . 1 . 1 115 115 SER N N 15 114.802 0.3 . 1 . . . . . 95 SER N . 50555 1 464 . 1 . 1 116 116 GLY H H 1 9.271 0.020 . 1 . . . . . 96 GLY H . 50555 1 465 . 1 . 1 116 116 GLY CA C 13 46.261 0.3 . 1 . . . . . 96 GLY CA . 50555 1 466 . 1 . 1 116 116 GLY N N 15 116.867 0.3 . 1 . . . . . 96 GLY N . 50555 1 467 . 1 . 1 117 117 SER H H 1 8.463 0.020 . 1 . . . . . 97 SER H . 50555 1 468 . 1 . 1 117 117 SER C C 13 178.359 0.3 . 1 . . . . . 97 SER C . 50555 1 469 . 1 . 1 117 117 SER CA C 13 63.387 0.3 . 1 . . . . . 97 SER CA . 50555 1 470 . 1 . 1 117 117 SER CB C 13 64.687 0.3 . 1 . . . . . 97 SER CB . 50555 1 471 . 1 . 1 117 117 SER N N 15 119.705 0.3 . 1 . . . . . 97 SER N . 50555 1 472 . 1 . 1 118 118 TYR H H 1 10.426 0.020 . 1 . . . . . 98 TYR H . 50555 1 473 . 1 . 1 118 118 TYR CA C 13 61.037 0.3 . 1 . . . . . 98 TYR CA . 50555 1 474 . 1 . 1 118 118 TYR CB C 13 36.933 0.3 . 1 . . . . . 98 TYR CB . 50555 1 475 . 1 . 1 118 118 TYR N N 15 119.595 0.3 . 1 . . . . . 98 TYR N . 50555 1 476 . 1 . 1 119 119 GLN H H 1 8.540 0.020 . 1 . . . . . 99 GLN H . 50555 1 477 . 1 . 1 119 119 GLN C C 13 178.359 0.3 . 1 . . . . . 99 GLN C . 50555 1 478 . 1 . 1 119 119 GLN CA C 13 59.046 0.3 . 1 . . . . . 99 GLN CA . 50555 1 479 . 1 . 1 119 119 GLN CB C 13 27.908 0.3 . 1 . . . . . 99 GLN CB . 50555 1 480 . 1 . 1 119 119 GLN N N 15 119.713 0.3 . 1 . . . . . 99 GLN N . 50555 1 481 . 1 . 1 120 120 SER H H 1 8.310 0.020 . 1 . . . . . 100 SER H . 50555 1 482 . 1 . 1 120 120 SER CA C 13 61.979 0.3 . 1 . . . . . 100 SER CA . 50555 1 483 . 1 . 1 120 120 SER CB C 13 63.709 0.3 . 1 . . . . . 100 SER CB . 50555 1 484 . 1 . 1 120 120 SER N N 15 114.878 0.3 . 1 . . . . . 100 SER N . 50555 1 485 . 1 . 1 121 121 SER H H 1 7.762 0.020 . 1 . . . . . 101 SER H . 50555 1 486 . 1 . 1 121 121 SER CA C 13 61.286 0.3 . 1 . . . . . 101 SER CA . 50555 1 487 . 1 . 1 121 121 SER CB C 13 63.559 0.3 . 1 . . . . . 101 SER CB . 50555 1 488 . 1 . 1 121 121 SER N N 15 120.919 0.3 . 1 . . . . . 101 SER N . 50555 1 489 . 1 . 1 122 122 TYR H H 1 7.879 0.020 . 1 . . . . . 102 TYR H . 50555 1 490 . 1 . 1 122 122 TYR C C 13 178.977 0.3 . 1 . . . . . 102 TYR C . 50555 1 491 . 1 . 1 122 122 TYR CA C 13 60.774 0.3 . 1 . . . . . 102 TYR CA . 50555 1 492 . 1 . 1 122 122 TYR CB C 13 38.438 0.3 . 1 . . . . . 102 TYR CB . 50555 1 493 . 1 . 1 122 122 TYR N N 15 123.584 0.3 . 1 . . . . . 102 TYR N . 50555 1 494 . 1 . 1 123 123 GLN H H 1 8.589 0.020 . 1 . . . . . 103 GLN H . 50555 1 495 . 1 . 1 123 123 GLN C C 13 179.854 0.3 . 1 . . . . . 103 GLN C . 50555 1 496 . 1 . 1 123 123 GLN CA C 13 59.473 0.3 . 1 . . . . . 103 GLN CA . 50555 1 497 . 1 . 1 123 123 GLN CB C 13 28.510 0.3 . 1 . . . . . 103 GLN CB . 50555 1 498 . 1 . 1 123 123 GLN N N 15 121.349 0.3 . 1 . . . . . 103 GLN N . 50555 1 499 . 1 . 1 124 124 ALA H H 1 8.203 0.020 . 1 . . . . . 104 ALA H . 50555 1 500 . 1 . 1 124 124 ALA C C 13 179.778 0.3 . 1 . . . . . 104 ALA C . 50555 1 501 . 1 . 1 124 124 ALA CA C 13 55.135 0.3 . 1 . . . . . 104 ALA CA . 50555 1 502 . 1 . 1 124 124 ALA CB C 13 21.515 0.3 . 1 . . . . . 104 ALA CB . 50555 1 503 . 1 . 1 124 124 ALA N N 15 119.636 0.3 . 1 . . . . . 104 ALA N . 50555 1 504 . 1 . 1 125 125 GLY H H 1 7.701 0.020 . 1 . . . . . 105 GLY H . 50555 1 505 . 1 . 1 125 125 GLY CA C 13 46.774 0.3 . 1 . . . . . 105 GLY CA . 50555 1 506 . 1 . 1 125 125 GLY N N 15 106.450 0.3 . 1 . . . . . 105 GLY N . 50555 1 507 . 1 . 1 126 126 GLU H H 1 7.111 0.020 . 1 . . . . . 106 GLU H . 50555 1 508 . 1 . 1 126 126 GLU C C 13 177.917 0.3 . 1 . . . . . 106 GLU C . 50555 1 509 . 1 . 1 126 126 GLU CA C 13 57.779 0.3 . 1 . . . . . 106 GLU CA . 50555 1 510 . 1 . 1 126 126 GLU CB C 13 30.164 0.3 . 1 . . . . . 106 GLU CB . 50555 1 511 . 1 . 1 126 126 GLU N N 15 117.290 0.3 . 1 . . . . . 106 GLU N . 50555 1 512 . 1 . 1 127 127 MET H H 1 7.293 0.020 . 1 . . . . . 107 MET H . 50555 1 513 . 1 . 1 127 127 MET C C 13 174.965 0.3 . 1 . . . . . 107 MET C . 50555 1 514 . 1 . 1 127 127 MET CA C 13 56.718 0.3 . 1 . . . . . 107 MET CA . 50555 1 515 . 1 . 1 127 127 MET CB C 13 34.756 0.3 . 1 . . . . . 107 MET CB . 50555 1 516 . 1 . 1 127 127 MET N N 15 116.072 0.3 . 1 . . . . . 107 MET N . 50555 1 517 . 1 . 1 128 128 VAL H H 1 7.188 0.020 . 1 . . . . . 108 VAL H . 50555 1 518 . 1 . 1 128 128 VAL C C 13 173.442 0.3 . 1 . . . . . 108 VAL C . 50555 1 519 . 1 . 1 128 128 VAL CA C 13 61.475 0.3 . 1 . . . . . 108 VAL CA . 50555 1 520 . 1 . 1 128 128 VAL CB C 13 33.323 0.3 . 1 . . . . . 108 VAL CB . 50555 1 521 . 1 . 1 128 128 VAL N N 15 117.882 0.3 . 1 . . . . . 108 VAL N . 50555 1 522 . 1 . 1 129 129 GLU H H 1 8.468 0.020 . 1 . . . . . 109 GLU H . 50555 1 523 . 1 . 1 129 129 GLU C C 13 177.719 0.3 . 1 . . . . . 109 GLU C . 50555 1 524 . 1 . 1 129 129 GLU CA C 13 55.468 0.3 . 1 . . . . . 109 GLU CA . 50555 1 525 . 1 . 1 129 129 GLU CB C 13 31.969 0.3 . 1 . . . . . 109 GLU CB . 50555 1 526 . 1 . 1 129 129 GLU N N 15 124.581 0.3 . 1 . . . . . 109 GLU N . 50555 1 527 . 1 . 1 130 130 GLY H H 1 8.621 0.020 . 1 . . . . . 110 GLY H . 50555 1 528 . 1 . 1 130 130 GLY CA C 13 46.569 0.3 . 1 . . . . . 110 GLY CA . 50555 1 529 . 1 . 1 130 130 GLY N N 15 108.234 0.3 . 1 . . . . . 110 GLY N . 50555 1 530 . 1 . 1 131 131 VAL H H 1 7.145 0.020 . 1 . . . . . 111 VAL H . 50555 1 531 . 1 . 1 131 131 VAL C C 13 171.479 0.3 . 1 . . . . . 111 VAL C . 50555 1 532 . 1 . 1 131 131 VAL CA C 13 60.099 0.3 . 1 . . . . . 111 VAL CA . 50555 1 533 . 1 . 1 131 131 VAL CB C 13 34.827 0.3 . 1 . . . . . 111 VAL CB . 50555 1 534 . 1 . 1 131 131 VAL N N 15 115.300 0.3 . 1 . . . . . 111 VAL N . 50555 1 535 . 1 . 1 132 132 ASN H H 1 7.728 0.020 . 1 . . . . . 112 ASN H . 50555 1 536 . 1 . 1 132 132 ASN C C 13 173.623 0.3 . 1 . . . . . 112 ASN C . 50555 1 537 . 1 . 1 132 132 ASN CA C 13 52.747 0.3 . 1 . . . . . 112 ASN CA . 50555 1 538 . 1 . 1 132 132 ASN CB C 13 39.415 0.3 . 1 . . . . . 112 ASN CB . 50555 1 539 . 1 . 1 132 132 ASN N N 15 123.897 0.3 . 1 . . . . . 112 ASN N . 50555 1 540 . 1 . 1 133 133 VAL H H 1 8.396 0.020 . 1 . . . . . 113 VAL H . 50555 1 541 . 1 . 1 133 133 VAL C C 13 174.378 0.3 . 1 . . . . . 113 VAL C . 50555 1 542 . 1 . 1 133 133 VAL CA C 13 62.280 0.3 . 1 . . . . . 113 VAL CA . 50555 1 543 . 1 . 1 133 133 VAL CB C 13 32.646 0.3 . 1 . . . . . 113 VAL CB . 50555 1 544 . 1 . 1 133 133 VAL N N 15 125.070 0.3 . 1 . . . . . 113 VAL N . 50555 1 545 . 1 . 1 134 134 HIS H H 1 9.054 0.020 . 1 . . . . . 114 HIS H . 50555 1 546 . 1 . 1 134 134 HIS C C 13 173.531 0.3 . 1 . . . . . 114 HIS C . 50555 1 547 . 1 . 1 134 134 HIS CA C 13 53.395 0.3 . 1 . . . . . 114 HIS CA . 50555 1 548 . 1 . 1 134 134 HIS CB C 13 30.691 0.3 . 1 . . . . . 114 HIS CB . 50555 1 549 . 1 . 1 134 134 HIS N N 15 129.689 0.3 . 1 . . . . . 114 HIS N . 50555 1 550 . 1 . 1 135 135 ALA H H 1 8.562 0.020 . 1 . . . . . 115 ALA H . 50555 1 551 . 1 . 1 135 135 ALA C C 13 177.352 0.3 . 1 . . . . . 115 ALA C . 50555 1 552 . 1 . 1 135 135 ALA CA C 13 52.728 0.3 . 1 . . . . . 115 ALA CA . 50555 1 553 . 1 . 1 135 135 ALA CB C 13 18.882 0.3 . 1 . . . . . 115 ALA CB . 50555 1 554 . 1 . 1 135 135 ALA N N 15 125.979 0.3 . 1 . . . . . 115 ALA N . 50555 1 555 . 1 . 1 136 136 PHE H H 1 9.698 0.020 . 1 . . . . . 116 PHE H . 50555 1 556 . 1 . 1 136 136 PHE C C 13 172.296 0.3 . 1 . . . . . 116 PHE C . 50555 1 557 . 1 . 1 136 136 PHE CA C 13 58.104 0.3 . 1 . . . . . 116 PHE CA . 50555 1 558 . 1 . 1 136 136 PHE CB C 13 42.048 0.3 . 1 . . . . . 116 PHE CB . 50555 1 559 . 1 . 1 136 136 PHE N N 15 125.332 0.3 . 1 . . . . . 116 PHE N . 50555 1 560 . 1 . 1 137 137 ASP H H 1 7.519 0.020 . 1 . . . . . 117 ASP H . 50555 1 561 . 1 . 1 137 137 ASP C C 13 174.630 0.3 . 1 . . . . . 117 ASP C . 50555 1 562 . 1 . 1 137 137 ASP CA C 13 51.720 0.3 . 1 . . . . . 117 ASP CA . 50555 1 563 . 1 . 1 137 137 ASP CB C 13 39.115 0.3 . 1 . . . . . 117 ASP CB . 50555 1 564 . 1 . 1 137 137 ASP N N 15 127.640 0.3 . 1 . . . . . 117 ASP N . 50555 1 565 . 1 . 1 138 138 SER H H 1 7.656 0.020 . 1 . . . . . 118 SER H . 50555 1 566 . 1 . 1 138 138 SER CA C 13 61.603 0.3 . 1 . . . . . 118 SER CA . 50555 1 567 . 1 . 1 138 138 SER CB C 13 64.536 0.3 . 1 . . . . . 118 SER CB . 50555 1 568 . 1 . 1 138 138 SER N N 15 118.496 0.3 . 1 . . . . . 118 SER N . 50555 1 569 . 1 . 1 139 139 LYS H H 1 7.657 0.020 . 1 . . . . . 119 LYS H . 50555 1 570 . 1 . 1 139 139 LYS C C 13 174.126 0.3 . 1 . . . . . 119 LYS C . 50555 1 571 . 1 . 1 139 139 LYS CA C 13 58.224 0.3 . 1 . . . . . 119 LYS CA . 50555 1 572 . 1 . 1 139 139 LYS CB C 13 30.164 0.3 . 1 . . . . . 119 LYS CB . 50555 1 573 . 1 . 1 139 139 LYS N N 15 109.036 0.3 . 1 . . . . . 119 LYS N . 50555 1 574 . 1 . 1 140 140 LEU H H 1 8.038 0.020 . 1 . . . . . 120 LEU H . 50555 1 575 . 1 . 1 140 140 LEU C C 13 173.211 0.3 . 1 . . . . . 120 LEU C . 50555 1 576 . 1 . 1 140 140 LEU CA C 13 57.366 0.3 . 1 . . . . . 120 LEU CA . 50555 1 577 . 1 . 1 140 140 LEU CB C 13 43.251 0.3 . 1 . . . . . 120 LEU CB . 50555 1 578 . 1 . 1 140 140 LEU N N 15 124.269 0.3 . 1 . . . . . 120 LEU N . 50555 1 579 . 1 . 1 141 141 ALA H H 1 6.665 0.020 . 1 . . . . . 121 ALA H . 50555 1 580 . 1 . 1 141 141 ALA CA C 13 51.806 0.3 . 1 . . . . . 121 ALA CA . 50555 1 581 . 1 . 1 141 141 ALA CB C 13 23.922 0.3 . 1 . . . . . 121 ALA CB . 50555 1 582 . 1 . 1 141 141 ALA N N 15 118.068 0.3 . 1 . . . . . 121 ALA N . 50555 1 583 . 1 . 1 142 142 ALA H H 1 7.521 0.020 . 1 . . . . . 122 ALA H . 50555 1 584 . 1 . 1 142 142 ALA C C 13 177.101 0.3 . 1 . . . . . 122 ALA C . 50555 1 585 . 1 . 1 142 142 ALA CA C 13 52.578 0.3 . 1 . . . . . 122 ALA CA . 50555 1 586 . 1 . 1 142 142 ALA CB C 13 17.905 0.3 . 1 . . . . . 122 ALA CB . 50555 1 587 . 1 . 1 142 142 ALA N N 15 119.633 0.3 . 1 . . . . . 122 ALA N . 50555 1 588 . 1 . 1 143 143 MET H H 1 7.377 0.020 . 1 . . . . . 123 MET H . 50555 1 589 . 1 . 1 143 143 MET C C 13 178.060 0.3 . 1 . . . . . 123 MET C . 50555 1 590 . 1 . 1 143 143 MET CA C 13 55.636 0.3 . 1 . . . . . 123 MET CA . 50555 1 591 . 1 . 1 143 143 MET CB C 13 29.563 0.3 . 1 . . . . . 123 MET CB . 50555 1 592 . 1 . 1 143 143 MET N N 15 116.664 0.3 . 1 . . . . . 123 MET N . 50555 1 593 . 1 . 1 144 144 ILE H H 1 6.304 0.020 . 1 . . . . . 124 ILE H . 50555 1 594 . 1 . 1 144 144 ILE C C 13 177.375 0.3 . 1 . . . . . 124 ILE C . 50555 1 595 . 1 . 1 144 144 ILE CA C 13 63.107 0.3 . 1 . . . . . 124 ILE CA . 50555 1 596 . 1 . 1 144 144 ILE CB C 13 34.075 0.3 . 1 . . . . . 124 ILE CB . 50555 1 597 . 1 . 1 144 144 ILE N N 15 115.632 0.3 . 1 . . . . . 124 ILE N . 50555 1 598 . 1 . 1 145 145 GLU H H 1 6.292 0.020 . 1 . . . . . 125 GLU H . 50555 1 599 . 1 . 1 145 145 GLU CA C 13 60.249 0.3 . 1 . . . . . 125 GLU CA . 50555 1 600 . 1 . 1 145 145 GLU CB C 13 26.178 0.3 . 1 . . . . . 125 GLU CB . 50555 1 601 . 1 . 1 145 145 GLU N N 15 121.268 0.3 . 1 . . . . . 125 GLU N . 50555 1 602 . 1 . 1 146 146 GLY H H 1 8.675 0.020 . 1 . . . . . 126 GLY H . 50555 1 603 . 1 . 1 146 146 GLY CA C 13 47.764 0.3 . 1 . . . . . 126 GLY CA . 50555 1 604 . 1 . 1 146 146 GLY N N 15 104.262 0.3 . 1 . . . . . 126 GLY N . 50555 1 605 . 1 . 1 147 147 CYS H H 1 7.595 0.020 . 1 . . . . . 127 CYS H . 50555 1 606 . 1 . 1 147 147 CYS CA C 13 66.028 0.3 . 1 . . . . . 127 CYS CA . 50555 1 607 . 1 . 1 147 147 CYS CB C 13 26.780 0.3 . 1 . . . . . 127 CYS CB . 50555 1 608 . 1 . 1 147 147 CYS N N 15 119.545 0.3 . 1 . . . . . 127 CYS N . 50555 1 609 . 1 . 1 148 148 TYR H H 1 7.610 0.020 . 1 . . . . . 128 TYR H . 50555 1 610 . 1 . 1 148 148 TYR C C 13 177.768 0.3 . 1 . . . . . 128 TYR C . 50555 1 611 . 1 . 1 148 148 TYR CA C 13 62.656 0.3 . 1 . . . . . 128 TYR CA . 50555 1 612 . 1 . 1 148 148 TYR CB C 13 38.062 0.3 . 1 . . . . . 128 TYR CB . 50555 1 613 . 1 . 1 148 148 TYR N N 15 117.105 0.3 . 1 . . . . . 128 TYR N . 50555 1 614 . 1 . 1 149 149 VAL H H 1 6.904 0.020 . 1 . . . . . 129 VAL H . 50555 1 615 . 1 . 1 149 149 VAL C C 13 177.430 0.3 . 1 . . . . . 129 VAL C . 50555 1 616 . 1 . 1 149 149 VAL CA C 13 65.844 0.3 . 1 . . . . . 129 VAL CA . 50555 1 617 . 1 . 1 149 149 VAL CB C 13 31.142 0.3 . 1 . . . . . 129 VAL CB . 50555 1 618 . 1 . 1 149 149 VAL N N 15 118.290 0.3 . 1 . . . . . 129 VAL N . 50555 1 619 . 1 . 1 150 150 LEU H H 1 7.532 0.020 . 1 . . . . . 130 LEU H . 50555 1 620 . 1 . 1 150 150 LEU C C 13 181.320 0.3 . 1 . . . . . 130 LEU C . 50555 1 621 . 1 . 1 150 150 LEU CA C 13 57.329 0.3 . 1 . . . . . 130 LEU CA . 50555 1 622 . 1 . 1 150 150 LEU CB C 13 39.641 0.3 . 1 . . . . . 130 LEU CB . 50555 1 623 . 1 . 1 150 150 LEU N N 15 115.052 0.3 . 1 . . . . . 130 LEU N . 50555 1 624 . 1 . 1 151 151 ARG H H 1 8.228 0.020 . 1 . . . . . 131 ARG H . 50555 1 625 . 1 . 1 151 151 ARG CA C 13 56.009 0.3 . 1 . . . . . 131 ARG CA . 50555 1 626 . 1 . 1 151 151 ARG CB C 13 28.660 0.3 . 1 . . . . . 131 ARG CB . 50555 1 627 . 1 . 1 151 151 ARG N N 15 121.859 0.3 . 1 . . . . . 131 ARG N . 50555 1 628 . 1 . 1 152 152 ALA H H 1 8.055 0.020 . 1 . . . . . 132 ALA H . 50555 1 629 . 1 . 1 152 152 ALA C C 13 178.863 0.3 . 1 . . . . . 132 ALA C . 50555 1 630 . 1 . 1 152 152 ALA CA C 13 55.762 0.3 . 1 . . . . . 132 ALA CA . 50555 1 631 . 1 . 1 152 152 ALA CB C 13 18.356 0.3 . 1 . . . . . 132 ALA CB . 50555 1 632 . 1 . 1 152 152 ALA N N 15 121.985 0.3 . 1 . . . . . 132 ALA N . 50555 1 633 . 1 . 1 153 153 ILE H H 1 8.055 0.020 . 1 . . . . . 133 ILE H . 50555 1 634 . 1 . 1 153 153 ILE C C 13 177.581 0.3 . 1 . . . . . 133 ILE C . 50555 1 635 . 1 . 1 153 153 ILE CA C 13 65.566 0.3 . 1 . . . . . 133 ILE CA . 50555 1 636 . 1 . 1 153 153 ILE CB C 13 38.287 0.3 . 1 . . . . . 133 ILE CB . 50555 1 637 . 1 . 1 153 153 ILE N N 15 116.552 0.3 . 1 . . . . . 133 ILE N . 50555 1 638 . 1 . 1 154 154 GLU H H 1 7.001 0.020 . 1 . . . . . 134 GLU H . 50555 1 639 . 1 . 1 154 154 GLU C C 13 178.268 0.3 . 1 . . . . . 134 GLU C . 50555 1 640 . 1 . 1 154 154 GLU CA C 13 60.141 0.3 . 1 . . . . . 134 GLU CA . 50555 1 641 . 1 . 1 154 154 GLU CB C 13 30.766 0.3 . 1 . . . . . 134 GLU CB . 50555 1 642 . 1 . 1 154 154 GLU N N 15 120.246 0.3 . 1 . . . . . 134 GLU N . 50555 1 643 . 1 . 1 155 155 MET H H 1 7.816 0.020 . 1 . . . . . 135 MET H . 50555 1 644 . 1 . 1 155 155 MET C C 13 179.557 0.3 . 1 . . . . . 135 MET C . 50555 1 645 . 1 . 1 155 155 MET CA C 13 60.024 0.3 . 1 . . . . . 135 MET CA . 50555 1 646 . 1 . 1 155 155 MET CB C 13 34.451 0.3 . 1 . . . . . 135 MET CB . 50555 1 647 . 1 . 1 155 155 MET N N 15 114.458 0.3 . 1 . . . . . 135 MET N . 50555 1 648 . 1 . 1 156 156 VAL H H 1 8.575 0.020 . 1 . . . . . 136 VAL H . 50555 1 649 . 1 . 1 156 156 VAL C C 13 181.686 0.3 . 1 . . . . . 136 VAL C . 50555 1 650 . 1 . 1 156 156 VAL CA C 13 67.545 0.3 . 1 . . . . . 136 VAL CA . 50555 1 651 . 1 . 1 156 156 VAL CB C 13 31.518 0.3 . 1 . . . . . 136 VAL CB . 50555 1 652 . 1 . 1 156 156 VAL N N 15 122.265 0.3 . 1 . . . . . 136 VAL N . 50555 1 653 . 1 . 1 157 157 GLU H H 1 7.949 0.020 . 1 . . . . . 137 GLU H . 50555 1 654 . 1 . 1 157 157 GLU C C 13 178.702 0.3 . 1 . . . . . 137 GLU C . 50555 1 655 . 1 . 1 157 157 GLU CA C 13 59.764 0.3 . 1 . . . . . 137 GLU CA . 50555 1 656 . 1 . 1 157 157 GLU CB C 13 30.164 0.3 . 1 . . . . . 137 GLU CB . 50555 1 657 . 1 . 1 157 157 GLU N N 15 120.685 0.3 . 1 . . . . . 137 GLU N . 50555 1 658 . 1 . 1 158 158 GLU H H 1 7.437 0.020 . 1 . . . . . 138 GLU H . 50555 1 659 . 1 . 1 158 158 GLU C C 13 176.863 0.3 . 1 . . . . . 138 GLU C . 50555 1 660 . 1 . 1 158 158 GLU CA C 13 57.300 0.3 . 1 . . . . . 138 GLU CA . 50555 1 661 . 1 . 1 158 158 GLU CB C 13 30.932 0.3 . 1 . . . . . 138 GLU CB . 50555 1 662 . 1 . 1 158 158 GLU N N 15 115.948 0.3 . 1 . . . . . 138 GLU N . 50555 1 663 . 1 . 1 159 159 GLY H H 1 7.689 0.020 . 1 . . . . . 139 GLY H . 50555 1 664 . 1 . 1 159 159 GLY CA C 13 46.072 0.3 . 1 . . . . . 139 GLY CA . 50555 1 665 . 1 . 1 159 159 GLY N N 15 105.487 0.3 . 1 . . . . . 139 GLY N . 50555 1 666 . 1 . 1 160 160 TYR H H 1 7.410 0.020 . 1 . . . . . 140 TYR H . 50555 1 667 . 1 . 1 160 160 TYR C C 13 174.891 0.3 . 1 . . . . . 140 TYR C . 50555 1 668 . 1 . 1 160 160 TYR CA C 13 59.952 0.3 . 1 . . . . . 140 TYR CA . 50555 1 669 . 1 . 1 160 160 TYR CB C 13 39.190 0.3 . 1 . . . . . 140 TYR CB . 50555 1 670 . 1 . 1 160 160 TYR N N 15 117.493 0.3 . 1 . . . . . 140 TYR N . 50555 1 671 . 1 . 1 161 161 GLU H H 1 8.394 0.020 . 1 . . . . . 141 GLU H . 50555 1 672 . 1 . 1 161 161 GLU C C 13 176.260 0.3 . 1 . . . . . 141 GLU C . 50555 1 673 . 1 . 1 161 161 GLU CA C 13 54.886 0.3 . 1 . . . . . 141 GLU CA . 50555 1 674 . 1 . 1 161 161 GLU CB C 13 28.961 0.3 . 1 . . . . . 141 GLU CB . 50555 1 675 . 1 . 1 161 161 GLU N N 15 116.904 0.3 . 1 . . . . . 141 GLU N . 50555 1 676 . 1 . 1 163 163 GLN H H 1 8.984 0.020 . 1 . . . . . 143 GLN H . 50555 1 677 . 1 . 1 163 163 GLN C C 13 178.268 0.3 . 1 . . . . . 143 GLN C . 50555 1 678 . 1 . 1 163 163 GLN CA C 13 59.121 0.3 . 1 . . . . . 143 GLN CA . 50555 1 679 . 1 . 1 163 163 GLN CB C 13 27.682 0.3 . 1 . . . . . 143 GLN CB . 50555 1 680 . 1 . 1 163 163 GLN N N 15 115.221 0.3 . 1 . . . . . 143 GLN N . 50555 1 681 . 1 . 1 164 164 GLN H H 1 6.832 0.020 . 1 . . . . . 144 GLN H . 50555 1 682 . 1 . 1 164 164 GLN C C 13 179.435 0.3 . 1 . . . . . 144 GLN C . 50555 1 683 . 1 . 1 164 164 GLN CA C 13 58.691 0.3 . 1 . . . . . 144 GLN CA . 50555 1 684 . 1 . 1 164 164 GLN CB C 13 29.308 0.3 . 1 . . . . . 144 GLN CB . 50555 1 685 . 1 . 1 164 164 GLN N N 15 115.428 0.3 . 1 . . . . . 144 GLN N . 50555 1 686 . 1 . 1 165 165 ILE H H 1 7.501 0.020 . 1 . . . . . 145 ILE H . 50555 1 687 . 1 . 1 165 165 ILE C C 13 177.147 0.3 . 1 . . . . . 145 ILE C . 50555 1 688 . 1 . 1 165 165 ILE CA C 13 64.912 0.3 . 1 . . . . . 145 ILE CA . 50555 1 689 . 1 . 1 165 165 ILE CB C 13 37.686 0.3 . 1 . . . . . 145 ILE CB . 50555 1 690 . 1 . 1 165 165 ILE N N 15 120.911 0.3 . 1 . . . . . 145 ILE N . 50555 1 691 . 1 . 1 166 166 ILE H H 1 8.198 0.020 . 1 . . . . . 146 ILE H . 50555 1 692 . 1 . 1 166 166 ILE C C 13 180.259 0.3 . 1 . . . . . 146 ILE C . 50555 1 693 . 1 . 1 166 166 ILE CA C 13 62.714 0.3 . 1 . . . . . 146 ILE CA . 50555 1 694 . 1 . 1 166 166 ILE CB C 13 35.504 0.3 . 1 . . . . . 146 ILE CB . 50555 1 695 . 1 . 1 166 166 ILE N N 15 118.875 0.3 . 1 . . . . . 146 ILE N . 50555 1 696 . 1 . 1 167 167 ASP H H 1 8.453 0.020 . 1 . . . . . 147 ASP H . 50555 1 697 . 1 . 1 167 167 ASP C C 13 178.538 0.3 . 1 . . . . . 147 ASP C . 50555 1 698 . 1 . 1 167 167 ASP CA C 13 58.669 0.3 . 1 . . . . . 147 ASP CA . 50555 1 699 . 1 . 1 167 167 ASP CB C 13 40.243 0.3 . 1 . . . . . 147 ASP CB . 50555 1 700 . 1 . 1 167 167 ASP N N 15 122.695 0.3 . 1 . . . . . 147 ASP N . 50555 1 701 . 1 . 1 168 168 ASP H H 1 7.458 0.020 . 1 . . . . . 148 ASP H . 50555 1 702 . 1 . 1 168 168 ASP C C 13 179.314 0.3 . 1 . . . . . 148 ASP C . 50555 1 703 . 1 . 1 168 168 ASP CA C 13 58.857 0.3 . 1 . . . . . 148 ASP CA . 50555 1 704 . 1 . 1 168 168 ASP CB C 13 43.627 0.3 . 1 . . . . . 148 ASP CB . 50555 1 705 . 1 . 1 168 168 ASP N N 15 122.597 0.3 . 1 . . . . . 148 ASP N . 50555 1 706 . 1 . 1 169 169 LEU H H 1 8.519 0.020 . 1 . . . . . 149 LEU H . 50555 1 707 . 1 . 1 169 169 LEU C C 13 179.364 0.3 . 1 . . . . . 149 LEU C . 50555 1 708 . 1 . 1 169 169 LEU CA C 13 57.710 0.3 . 1 . . . . . 149 LEU CA . 50555 1 709 . 1 . 1 169 169 LEU CB C 13 40.243 0.3 . 1 . . . . . 149 LEU CB . 50555 1 710 . 1 . 1 169 169 LEU N N 15 118.678 0.3 . 1 . . . . . 149 LEU N . 50555 1 711 . 1 . 1 170 170 THR H H 1 8.343 0.020 . 1 . . . . . 150 THR H . 50555 1 712 . 1 . 1 170 170 THR C C 13 177.119 0.3 . 1 . . . . . 150 THR C . 50555 1 713 . 1 . 1 170 170 THR CA C 13 68.447 0.3 . 1 . . . . . 150 THR CA . 50555 1 714 . 1 . 1 170 170 THR CB C 13 73.287 0.3 . 1 . . . . . 150 THR CB . 50555 1 715 . 1 . 1 170 170 THR N N 15 116.554 0.3 . 1 . . . . . 150 THR N . 50555 1 716 . 1 . 1 171 171 ASN H H 1 7.570 0.020 . 1 . . . . . 151 ASN H . 50555 1 717 . 1 . 1 171 171 ASN C C 13 176.541 0.3 . 1 . . . . . 151 ASN C . 50555 1 718 . 1 . 1 171 171 ASN CA C 13 57.505 0.3 . 1 . . . . . 151 ASN CA . 50555 1 719 . 1 . 1 171 171 ASN CB C 13 38.964 0.3 . 1 . . . . . 151 ASN CB . 50555 1 720 . 1 . 1 171 171 ASN N N 15 121.572 0.3 . 1 . . . . . 151 ASN N . 50555 1 721 . 1 . 1 172 172 MET H H 1 8.505 0.020 . 1 . . . . . 152 MET H . 50555 1 722 . 1 . 1 172 172 MET C C 13 179.060 0.3 . 1 . . . . . 152 MET C . 50555 1 723 . 1 . 1 172 172 MET CA C 13 59.581 0.3 . 1 . . . . . 152 MET CA . 50555 1 724 . 1 . 1 172 172 MET CB C 13 28.585 0.3 . 1 . . . . . 152 MET CB . 50555 1 725 . 1 . 1 172 172 MET N N 15 122.698 0.3 . 1 . . . . . 152 MET N . 50555 1 726 . 1 . 1 173 173 ARG H H 1 8.109 0.020 . 1 . . . . . 153 ARG H . 50555 1 727 . 1 . 1 173 173 ARG C C 13 178.817 0.3 . 1 . . . . . 153 ARG C . 50555 1 728 . 1 . 1 173 173 ARG CA C 13 58.600 0.3 . 1 . . . . . 153 ARG CA . 50555 1 729 . 1 . 1 173 173 ARG CB C 13 31.819 0.3 . 1 . . . . . 153 ARG CB . 50555 1 730 . 1 . 1 173 173 ARG N N 15 120.765 0.3 . 1 . . . . . 153 ARG N . 50555 1 731 . 1 . 1 174 174 GLU H H 1 7.316 0.020 . 1 . . . . . 154 GLU H . 50555 1 732 . 1 . 1 174 174 GLU C C 13 177.169 0.3 . 1 . . . . . 154 GLU C . 50555 1 733 . 1 . 1 174 174 GLU CA C 13 58.070 0.3 . 1 . . . . . 154 GLU CA . 50555 1 734 . 1 . 1 174 174 GLU CB C 13 29.487 0.3 . 1 . . . . . 154 GLU CB . 50555 1 735 . 1 . 1 174 174 GLU N N 15 115.372 0.3 . 1 . . . . . 154 GLU N . 50555 1 736 . 1 . 1 175 175 HIS H H 1 7.457 0.020 . 1 . . . . . 155 HIS H . 50555 1 737 . 1 . 1 175 175 HIS C C 13 172.580 0.3 . 1 . . . . . 155 HIS C . 50555 1 738 . 1 . 1 175 175 HIS CA C 13 54.007 0.3 . 1 . . . . . 155 HIS CA . 50555 1 739 . 1 . 1 175 175 HIS CB C 13 29.713 0.3 . 1 . . . . . 155 HIS CB . 50555 1 740 . 1 . 1 175 175 HIS N N 15 115.723 0.3 . 1 . . . . . 155 HIS N . 50555 1 741 . 1 . 1 176 176 THR H H 1 6.775 0.020 . 1 . . . . . 156 THR H . 50555 1 742 . 1 . 1 176 176 THR C C 13 174.081 0.3 . 1 . . . . . 156 THR C . 50555 1 743 . 1 . 1 176 176 THR CA C 13 62.076 0.3 . 1 . . . . . 156 THR CA . 50555 1 744 . 1 . 1 176 176 THR CB C 13 72.601 0.3 . 1 . . . . . 156 THR CB . 50555 1 745 . 1 . 1 176 176 THR N N 15 116.255 0.3 . 1 . . . . . 156 THR N . 50555 1 746 . 1 . 1 177 177 GLY H H 1 7.380 0.020 . 1 . . . . . 157 GLY H . 50555 1 747 . 1 . 1 177 177 GLY C C 13 171.106 0.3 . 1 . . . . . 157 GLY C . 50555 1 748 . 1 . 1 177 177 GLY CA C 13 46.380 0.3 . 1 . . . . . 157 GLY CA . 50555 1 749 . 1 . 1 177 177 GLY N N 15 112.368 0.3 . 1 . . . . . 157 GLY N . 50555 1 750 . 1 . 1 178 178 ALA H H 1 8.957 0.020 . 1 . . . . . 158 ALA H . 50555 1 751 . 1 . 1 178 178 ALA C C 13 174.384 0.3 . 1 . . . . . 158 ALA C . 50555 1 752 . 1 . 1 178 178 ALA CA C 13 53.781 0.3 . 1 . . . . . 158 ALA CA . 50555 1 753 . 1 . 1 178 178 ALA CB C 13 23.922 0.3 . 1 . . . . . 158 ALA CB . 50555 1 754 . 1 . 1 178 178 ALA N N 15 115.687 0.3 . 1 . . . . . 158 ALA N . 50555 1 755 . 1 . 1 179 179 TYR H H 1 8.518 0.020 . 1 . . . . . 159 TYR H . 50555 1 756 . 1 . 1 179 179 TYR CA C 13 57.090 0.3 . 1 . . . . . 159 TYR CA . 50555 1 757 . 1 . 1 179 179 TYR CB C 13 43.703 0.3 . 1 . . . . . 159 TYR CB . 50555 1 758 . 1 . 1 179 179 TYR N N 15 118.370 0.3 . 1 . . . . . 159 TYR N . 50555 1 759 . 1 . 1 180 180 LEU H H 1 9.114 0.020 . 1 . . . . . 160 LEU H . 50555 1 760 . 1 . 1 180 180 LEU C C 13 173.806 0.3 . 1 . . . . . 160 LEU C . 50555 1 761 . 1 . 1 180 180 LEU CA C 13 55.962 0.3 . 1 . . . . . 160 LEU CA . 50555 1 762 . 1 . 1 180 180 LEU CB C 13 45.583 0.3 . 1 . . . . . 160 LEU CB . 50555 1 763 . 1 . 1 180 180 LEU N N 15 117.647 0.3 . 1 . . . . . 160 LEU N . 50555 1 764 . 1 . 1 181 181 ILE H H 1 9.069 0.020 . 1 . . . . . 161 ILE H . 50555 1 765 . 1 . 1 181 181 ILE C C 13 174.149 0.3 . 1 . . . . . 161 ILE C . 50555 1 766 . 1 . 1 181 181 ILE CA C 13 59.648 0.3 . 1 . . . . . 161 ILE CA . 50555 1 767 . 1 . 1 181 181 ILE CB C 13 41.822 0.3 . 1 . . . . . 161 ILE CB . 50555 1 768 . 1 . 1 181 181 ILE N N 15 114.817 0.3 . 1 . . . . . 161 ILE N . 50555 1 769 . 1 . 1 182 182 VAL H H 1 6.715 0.020 . 1 . . . . . 162 VAL H . 50555 1 770 . 1 . 1 182 182 VAL C C 13 175.042 0.3 . 1 . . . . . 162 VAL C . 50555 1 771 . 1 . 1 182 182 VAL CA C 13 59.572 0.3 . 1 . . . . . 162 VAL CA . 50555 1 772 . 1 . 1 182 182 VAL CB C 13 35.805 0.3 . 1 . . . . . 162 VAL CB . 50555 1 773 . 1 . 1 182 182 VAL N N 15 107.194 0.3 . 1 . . . . . 162 VAL N . 50555 1 774 . 1 . 1 183 183 ASP H H 1 7.483 0.020 . 1 . . . . . 163 ASP H . 50555 1 775 . 1 . 1 183 183 ASP CA C 13 58.188 0.3 . 1 . . . . . 163 ASP CA . 50555 1 776 . 1 . 1 183 183 ASP CB C 13 41.371 0.3 . 1 . . . . . 163 ASP CB . 50555 1 777 . 1 . 1 183 183 ASP N N 15 118.900 0.3 . 1 . . . . . 163 ASP N . 50555 1 778 . 1 . 1 184 184 ASP H H 1 8.668 0.020 . 1 . . . . . 164 ASP H . 50555 1 779 . 1 . 1 184 184 ASP C C 13 175.705 0.3 . 1 . . . . . 164 ASP C . 50555 1 780 . 1 . 1 184 184 ASP CA C 13 53.842 0.3 . 1 . . . . . 164 ASP CA . 50555 1 781 . 1 . 1 184 184 ASP CB C 13 44.379 0.3 . 1 . . . . . 164 ASP CB . 50555 1 782 . 1 . 1 184 184 ASP N N 15 117.583 0.3 . 1 . . . . . 164 ASP N . 50555 1 783 . 1 . 1 185 185 LEU H H 1 8.708 0.020 . 1 . . . . . 165 LEU H . 50555 1 784 . 1 . 1 185 185 LEU CA C 13 55.502 0.3 . 1 . . . . . 165 LEU CA . 50555 1 785 . 1 . 1 185 185 LEU CB C 13 42.502 0.3 . 1 . . . . . 165 LEU CB . 50555 1 786 . 1 . 1 185 185 LEU N N 15 122.891 0.3 . 1 . . . . . 165 LEU N . 50555 1 787 . 1 . 1 186 186 LYS H H 1 8.656 0.020 . 1 . . . . . 166 LYS H . 50555 1 788 . 1 . 1 186 186 LYS C C 13 178.130 0.3 . 1 . . . . . 166 LYS C . 50555 1 789 . 1 . 1 186 186 LYS CA C 13 60.517 0.3 . 1 . . . . . 166 LYS CA . 50555 1 790 . 1 . 1 186 186 LYS CB C 13 31.564 0.3 . 1 . . . . . 166 LYS CB . 50555 1 791 . 1 . 1 186 186 LYS N N 15 118.794 0.3 . 1 . . . . . 166 LYS N . 50555 1 792 . 1 . 1 187 187 ASN H H 1 7.897 0.020 . 1 . . . . . 167 ASN H . 50555 1 793 . 1 . 1 187 187 ASN CA C 13 55.538 0.3 . 1 . . . . . 167 ASN CA . 50555 1 794 . 1 . 1 187 187 ASN N N 15 120.798 0.3 . 1 . . . . . 167 ASN N . 50555 1 795 . 1 . 1 188 188 LEU H H 1 8.403 0.020 . 1 . . . . . 168 LEU H . 50555 1 796 . 1 . 1 188 188 LEU C C 13 179.709 0.3 . 1 . . . . . 168 LEU C . 50555 1 797 . 1 . 1 188 188 LEU CA C 13 57.676 0.3 . 1 . . . . . 168 LEU CA . 50555 1 798 . 1 . 1 188 188 LEU N N 15 124.244 0.3 . 1 . . . . . 168 LEU N . 50555 1 799 . 1 . 1 189 189 GLN H H 1 8.623 0.020 . 1 . . . . . 169 GLN H . 50555 1 800 . 1 . 1 189 189 GLN CA C 13 59.040 0.3 . 1 . . . . . 169 GLN CA . 50555 1 801 . 1 . 1 189 189 GLN N N 15 116.140 0.3 . 1 . . . . . 169 GLN N . 50555 1 802 . 1 . 1 190 190 LYS H H 1 8.919 0.020 . 1 . . . . . 170 LYS H . 50555 1 803 . 1 . 1 190 190 LYS CA C 13 57.864 0.3 . 1 . . . . . 170 LYS CA . 50555 1 804 . 1 . 1 190 190 LYS N N 15 123.066 0.3 . 1 . . . . . 170 LYS N . 50555 1 805 . 1 . 1 192 192 GLY H H 1 7.717 0.020 . 1 . . . . . 172 GLY H . 50555 1 806 . 1 . 1 192 192 GLY CA C 13 46.763 0.3 . 1 . . . . . 172 GLY CA . 50555 1 807 . 1 . 1 192 192 GLY N N 15 111.404 0.3 . 1 . . . . . 172 GLY N . 50555 1 808 . 1 . 1 193 193 ARG H H 1 7.971 0.020 . 1 . . . . . 173 ARG H . 50555 1 809 . 1 . 1 193 193 ARG CA C 13 57.163 0.3 . 1 . . . . . 173 ARG CA . 50555 1 810 . 1 . 1 193 193 ARG CB C 13 31.079 0.3 . 1 . . . . . 173 ARG CB . 50555 1 811 . 1 . 1 193 193 ARG N N 15 119.530 0.3 . 1 . . . . . 173 ARG N . 50555 1 812 . 1 . 1 194 194 ILE H H 1 7.029 0.020 . 1 . . . . . 174 ILE H . 50555 1 813 . 1 . 1 194 194 ILE C C 13 174.329 0.3 . 1 . . . . . 174 ILE C . 50555 1 814 . 1 . 1 194 194 ILE CA C 13 58.806 0.3 . 1 . . . . . 174 ILE CA . 50555 1 815 . 1 . 1 194 194 ILE CB C 13 40.094 0.3 . 1 . . . . . 174 ILE CB . 50555 1 816 . 1 . 1 194 194 ILE N N 15 114.474 0.3 . 1 . . . . . 174 ILE N . 50555 1 817 . 1 . 1 195 195 THR H H 1 8.751 0.020 . 1 . . . . . 175 THR H . 50555 1 818 . 1 . 1 195 195 THR C C 13 174.012 0.3 . 1 . . . . . 175 THR C . 50555 1 819 . 1 . 1 195 195 THR CA C 13 62.193 0.3 . 1 . . . . . 175 THR CA . 50555 1 820 . 1 . 1 195 195 THR CB C 13 70.328 0.3 . 1 . . . . . 175 THR CB . 50555 1 821 . 1 . 1 195 195 THR N N 15 124.656 0.3 . 1 . . . . . 175 THR N . 50555 1 822 . 1 . 1 196 196 GLY H H 1 8.472 0.020 . 1 . . . . . 176 GLY H . 50555 1 823 . 1 . 1 196 196 GLY CA C 13 46.551 0.3 . 1 . . . . . 176 GLY CA . 50555 1 824 . 1 . 1 196 196 GLY N N 15 110.086 0.3 . 1 . . . . . 176 GLY N . 50555 1 825 . 1 . 1 197 197 ALA H H 1 8.305 0.020 . 1 . . . . . 177 ALA H . 50555 1 826 . 1 . 1 197 197 ALA C C 13 178.199 0.3 . 1 . . . . . 177 ALA C . 50555 1 827 . 1 . 1 197 197 ALA CA C 13 52.000 0.3 . 1 . . . . . 177 ALA CA . 50555 1 828 . 1 . 1 197 197 ALA CB C 13 19.635 0.3 . 1 . . . . . 177 ALA CB . 50555 1 829 . 1 . 1 197 197 ALA N N 15 120.808 0.3 . 1 . . . . . 177 ALA N . 50555 1 830 . 1 . 1 198 198 GLN H H 1 8.610 0.020 . 1 . . . . . 178 GLN H . 50555 1 831 . 1 . 1 198 198 GLN CA C 13 59.987 0.3 . 1 . . . . . 178 GLN CA . 50555 1 832 . 1 . 1 198 198 GLN N N 15 120.838 0.3 . 1 . . . . . 178 GLN N . 50555 1 833 . 1 . 1 199 199 ALA H H 1 8.391 0.020 . 1 . . . . . 179 ALA H . 50555 1 834 . 1 . 1 199 199 ALA C C 13 178.210 0.3 . 1 . . . . . 179 ALA C . 50555 1 835 . 1 . 1 199 199 ALA CA C 13 53.825 0.3 . 1 . . . . . 179 ALA CA . 50555 1 836 . 1 . 1 199 199 ALA CB C 13 18.143 0.3 . 1 . . . . . 179 ALA CB . 50555 1 837 . 1 . 1 199 199 ALA N N 15 120.054 0.3 . 1 . . . . . 179 ALA N . 50555 1 838 . 1 . 1 200 200 TRP H H 1 7.783 0.020 . 1 . . . . . 180 TRP H . 50555 1 839 . 1 . 1 200 200 TRP CA C 13 58.943 0.3 . 1 . . . . . 180 TRP CA . 50555 1 840 . 1 . 1 200 200 TRP N N 15 118.875 0.3 . 1 . . . . . 180 TRP N . 50555 1 841 . 1 . 1 201 201 VAL H H 1 7.878 0.020 . 1 . . . . . 181 VAL H . 50555 1 842 . 1 . 1 201 201 VAL CA C 13 65.035 0.3 . 1 . . . . . 181 VAL CA . 50555 1 843 . 1 . 1 201 201 VAL N N 15 118.607 0.3 . 1 . . . . . 181 VAL N . 50555 1 844 . 1 . 1 202 202 GLY H H 1 8.294 0.020 . 1 . . . . . 182 GLY H . 50555 1 845 . 1 . 1 202 202 GLY CA C 13 46.089 0.3 . 1 . . . . . 182 GLY CA . 50555 1 846 . 1 . 1 202 202 GLY N N 15 110.201 0.3 . 1 . . . . . 182 GLY N . 50555 1 847 . 1 . 1 203 203 THR H H 1 7.484 0.020 . 1 . . . . . 183 THR H . 50555 1 848 . 1 . 1 203 203 THR CA C 13 61.373 0.3 . 1 . . . . . 183 THR CA . 50555 1 849 . 1 . 1 203 203 THR N N 15 109.490 0.3 . 1 . . . . . 183 THR N . 50555 1 850 . 1 . 1 204 204 LEU H H 1 7.693 0.020 . 1 . . . . . 184 LEU H . 50555 1 851 . 1 . 1 204 204 LEU C C 13 177.101 0.3 . 1 . . . . . 184 LEU C . 50555 1 852 . 1 . 1 204 204 LEU CA C 13 56.966 0.3 . 1 . . . . . 184 LEU CA . 50555 1 853 . 1 . 1 204 204 LEU CB C 13 42.100 0.3 . 1 . . . . . 184 LEU CB . 50555 1 854 . 1 . 1 204 204 LEU N N 15 123.561 0.3 . 1 . . . . . 184 LEU N . 50555 1 855 . 1 . 1 205 205 LEU H H 1 8.090 0.020 . 1 . . . . . 185 LEU H . 50555 1 856 . 1 . 1 205 205 LEU C C 13 177.375 0.3 . 1 . . . . . 185 LEU C . 50555 1 857 . 1 . 1 205 205 LEU CA C 13 56.469 0.3 . 1 . . . . . 185 LEU CA . 50555 1 858 . 1 . 1 205 205 LEU CB C 13 40.171 0.3 . 1 . . . . . 185 LEU CB . 50555 1 859 . 1 . 1 205 205 LEU N N 15 117.070 0.3 . 1 . . . . . 185 LEU N . 50555 1 860 . 1 . 1 206 206 LYS H H 1 8.220 0.020 . 1 . . . . . 186 LYS H . 50555 1 861 . 1 . 1 206 206 LYS CA C 13 56.273 0.3 . 1 . . . . . 186 LYS CA . 50555 1 862 . 1 . 1 206 206 LYS N N 15 118.997 0.3 . 1 . . . . . 186 LYS N . 50555 1 863 . 1 . 1 207 207 MET H H 1 7.873 0.020 . 1 . . . . . 187 MET H . 50555 1 864 . 1 . 1 207 207 MET C C 13 174.492 0.3 . 1 . . . . . 187 MET C . 50555 1 865 . 1 . 1 207 207 MET CA C 13 55.639 0.3 . 1 . . . . . 187 MET CA . 50555 1 866 . 1 . 1 207 207 MET CB C 13 34.451 0.3 . 1 . . . . . 187 MET CB . 50555 1 867 . 1 . 1 207 207 MET N N 15 118.466 0.3 . 1 . . . . . 187 MET N . 50555 1 868 . 1 . 1 208 208 LYS H H 1 9.126 0.020 . 1 . . . . . 188 LYS H . 50555 1 869 . 1 . 1 208 208 LYS C C 13 174.767 0.3 . 1 . . . . . 188 LYS C . 50555 1 870 . 1 . 1 208 208 LYS CA C 13 51.495 0.3 . 1 . . . . . 188 LYS CA . 50555 1 871 . 1 . 1 208 208 LYS CB C 13 32.006 0.3 . 1 . . . . . 188 LYS CB . 50555 1 872 . 1 . 1 208 208 LYS N N 15 118.380 0.3 . 1 . . . . . 188 LYS N . 50555 1 873 . 1 . 1 210 210 VAL H H 1 8.881 0.020 . 1 . . . . . 190 VAL H . 50555 1 874 . 1 . 1 210 210 VAL CA C 13 62.355 0.3 . 1 . . . . . 190 VAL CA . 50555 1 875 . 1 . 1 210 210 VAL CB C 13 33.173 0.3 . 1 . . . . . 190 VAL CB . 50555 1 876 . 1 . 1 210 210 VAL N N 15 119.796 0.3 . 1 . . . . . 190 VAL N . 50555 1 877 . 1 . 1 211 211 LEU H H 1 9.631 0.020 . 1 . . . . . 191 LEU H . 50555 1 878 . 1 . 1 211 211 LEU C C 13 174.698 0.3 . 1 . . . . . 191 LEU C . 50555 1 879 . 1 . 1 211 211 LEU CA C 13 53.405 0.3 . 1 . . . . . 191 LEU CA . 50555 1 880 . 1 . 1 211 211 LEU CB C 13 44.229 0.3 . 1 . . . . . 191 LEU CB . 50555 1 881 . 1 . 1 211 211 LEU N N 15 127.755 0.3 . 1 . . . . . 191 LEU N . 50555 1 882 . 1 . 1 212 212 LYS H H 1 8.907 0.020 . 1 . . . . . 192 LYS H . 50555 1 883 . 1 . 1 212 212 LYS CA C 13 54.909 0.3 . 1 . . . . . 192 LYS CA . 50555 1 884 . 1 . 1 212 212 LYS CB C 13 36.858 0.3 . 1 . . . . . 192 LYS CB . 50555 1 885 . 1 . 1 212 212 LYS N N 15 116.649 0.3 . 1 . . . . . 192 LYS N . 50555 1 886 . 1 . 1 213 213 PHE H H 1 7.652 0.020 . 1 . . . . . 193 PHE H . 50555 1 887 . 1 . 1 213 213 PHE C C 13 177.205 0.3 . 1 . . . . . 193 PHE C . 50555 1 888 . 1 . 1 213 213 PHE CA C 13 57.692 0.3 . 1 . . . . . 193 PHE CA . 50555 1 889 . 1 . 1 213 213 PHE CB C 13 40.243 0.3 . 1 . . . . . 193 PHE CB . 50555 1 890 . 1 . 1 213 213 PHE N N 15 118.868 0.3 . 1 . . . . . 193 PHE N . 50555 1 891 . 1 . 1 214 214 GLU H H 1 9.439 0.020 . 1 . . . . . 194 GLU H . 50555 1 892 . 1 . 1 214 214 GLU C C 13 175.865 0.3 . 1 . . . . . 194 GLU C . 50555 1 893 . 1 . 1 214 214 GLU CA C 13 56.923 0.3 . 1 . . . . . 194 GLU CA . 50555 1 894 . 1 . 1 214 214 GLU CB C 13 33.474 0.3 . 1 . . . . . 194 GLU CB . 50555 1 895 . 1 . 1 214 214 GLU N N 15 124.299 0.3 . 1 . . . . . 194 GLU N . 50555 1 896 . 1 . 1 215 215 ASP H H 1 9.849 0.020 . 1 . . . . . 195 ASP H . 50555 1 897 . 1 . 1 215 215 ASP CA C 13 55.741 0.3 . 1 . . . . . 195 ASP CA . 50555 1 898 . 1 . 1 215 215 ASP N N 15 130.844 0.3 . 1 . . . . . 195 ASP N . 50555 1 899 . 1 . 1 216 216 GLY H H 1 9.315 0.020 . 1 . . . . . 196 GLY H . 50555 1 900 . 1 . 1 216 216 GLY CA C 13 45.014 0.3 . 1 . . . . . 196 GLY CA . 50555 1 901 . 1 . 1 216 216 GLY N N 15 102.797 0.3 . 1 . . . . . 196 GLY N . 50555 1 902 . 1 . 1 217 217 LYS H H 1 7.582 0.020 . 1 . . . . . 197 LYS H . 50555 1 903 . 1 . 1 217 217 LYS C C 13 173.510 0.3 . 1 . . . . . 197 LYS C . 50555 1 904 . 1 . 1 217 217 LYS CA C 13 54.185 0.3 . 1 . . . . . 197 LYS CA . 50555 1 905 . 1 . 1 217 217 LYS CB C 13 34.602 0.3 . 1 . . . . . 197 LYS CB . 50555 1 906 . 1 . 1 217 217 LYS N N 15 119.699 0.3 . 1 . . . . . 197 LYS N . 50555 1 907 . 1 . 1 218 218 ILE H H 1 8.068 0.020 . 1 . . . . . 198 ILE H . 50555 1 908 . 1 . 1 218 218 ILE C C 13 174.790 0.3 . 1 . . . . . 198 ILE C . 50555 1 909 . 1 . 1 218 218 ILE CA C 13 61.236 0.3 . 1 . . . . . 198 ILE CA . 50555 1 910 . 1 . 1 218 218 ILE CB C 13 37.385 0.3 . 1 . . . . . 198 ILE CB . 50555 1 911 . 1 . 1 218 218 ILE N N 15 119.523 0.3 . 1 . . . . . 198 ILE N . 50555 1 912 . 1 . 1 219 219 ILE H H 1 8.738 0.020 . 1 . . . . . 199 ILE H . 50555 1 913 . 1 . 1 219 219 ILE C C 13 173.943 0.3 . 1 . . . . . 199 ILE C . 50555 1 914 . 1 . 1 219 219 ILE CA C 13 57.454 0.3 . 1 . . . . . 199 ILE CA . 50555 1 915 . 1 . 1 219 219 ILE CB C 13 40.298 0.3 . 1 . . . . . 199 ILE CB . 50555 1 916 . 1 . 1 219 219 ILE N N 15 120.799 0.3 . 1 . . . . . 199 ILE N . 50555 1 917 . 1 . 1 221 221 GLU H H 1 8.700 0.020 . 1 . . . . . 201 GLU H . 50555 1 918 . 1 . 1 221 221 GLU C C 13 175.431 0.3 . 1 . . . . . 201 GLU C . 50555 1 919 . 1 . 1 221 221 GLU CA C 13 57.458 0.3 . 1 . . . . . 201 GLU CA . 50555 1 920 . 1 . 1 221 221 GLU CB C 13 31.446 0.3 . 1 . . . . . 201 GLU CB . 50555 1 921 . 1 . 1 221 221 GLU N N 15 122.056 0.3 . 1 . . . . . 201 GLU N . 50555 1 922 . 1 . 1 222 222 GLU H H 1 8.355 0.020 . 1 . . . . . 202 GLU H . 50555 1 923 . 1 . 1 222 222 GLU C C 13 173.463 0.3 . 1 . . . . . 202 GLU C . 50555 1 924 . 1 . 1 222 222 GLU CA C 13 56.256 0.3 . 1 . . . . . 202 GLU CA . 50555 1 925 . 1 . 1 222 222 GLU CB C 13 34.226 0.3 . 1 . . . . . 202 GLU CB . 50555 1 926 . 1 . 1 222 222 GLU N N 15 115.466 0.3 . 1 . . . . . 202 GLU N . 50555 1 927 . 1 . 1 223 223 LYS H H 1 8.753 0.020 . 1 . . . . . 203 LYS H . 50555 1 928 . 1 . 1 223 223 LYS C C 13 175.666 0.3 . 1 . . . . . 203 LYS C . 50555 1 929 . 1 . 1 223 223 LYS CA C 13 54.835 0.3 . 1 . . . . . 203 LYS CA . 50555 1 930 . 1 . 1 223 223 LYS CB C 13 34.827 0.3 . 1 . . . . . 203 LYS CB . 50555 1 931 . 1 . 1 223 223 LYS N N 15 119.992 0.3 . 1 . . . . . 203 LYS N . 50555 1 932 . 1 . 1 224 224 VAL H H 1 8.729 0.020 . 1 . . . . . 204 VAL H . 50555 1 933 . 1 . 1 224 224 VAL C C 13 176.675 0.3 . 1 . . . . . 204 VAL C . 50555 1 934 . 1 . 1 224 224 VAL CA C 13 59.431 0.3 . 1 . . . . . 204 VAL CA . 50555 1 935 . 1 . 1 224 224 VAL CB C 13 35.669 0.3 . 1 . . . . . 204 VAL CB . 50555 1 936 . 1 . 1 224 224 VAL N N 15 114.538 0.3 . 1 . . . . . 204 VAL N . 50555 1 937 . 1 . 1 225 225 ARG H H 1 8.937 0.020 . 1 . . . . . 205 ARG H . 50555 1 938 . 1 . 1 225 225 ARG C C 13 172.387 0.3 . 1 . . . . . 205 ARG C . 50555 1 939 . 1 . 1 225 225 ARG CA C 13 59.713 0.3 . 1 . . . . . 205 ARG CA . 50555 1 940 . 1 . 1 225 225 ARG CB C 13 28.961 0.3 . 1 . . . . . 205 ARG CB . 50555 1 941 . 1 . 1 225 225 ARG N N 15 118.961 0.3 . 1 . . . . . 205 ARG N . 50555 1 942 . 1 . 1 227 227 LYS H H 1 9.146 0.020 . 1 . . . . . 207 LYS H . 50555 1 943 . 1 . 1 227 227 LYS CA C 13 59.696 0.3 . 1 . . . . . 207 LYS CA . 50555 1 944 . 1 . 1 227 227 LYS CB C 13 31.696 0.3 . 1 . . . . . 207 LYS CB . 50555 1 945 . 1 . 1 227 227 LYS N N 15 123.880 0.3 . 1 . . . . . 207 LYS N . 50555 1 946 . 1 . 1 228 228 LYS H H 1 8.342 0.020 . 1 . . . . . 208 LYS H . 50555 1 947 . 1 . 1 228 228 LYS C C 13 179.686 0.3 . 1 . . . . . 208 LYS C . 50555 1 948 . 1 . 1 228 228 LYS CA C 13 60.019 0.3 . 1 . . . . . 208 LYS CA . 50555 1 949 . 1 . 1 228 228 LYS CB C 13 32.345 0.3 . 1 . . . . . 208 LYS CB . 50555 1 950 . 1 . 1 228 228 LYS N N 15 117.797 0.3 . 1 . . . . . 208 LYS N . 50555 1 951 . 1 . 1 229 229 ARG H H 1 7.732 0.020 . 1 . . . . . 209 ARG H . 50555 1 952 . 1 . 1 229 229 ARG C C 13 179.334 0.3 . 1 . . . . . 209 ARG C . 50555 1 953 . 1 . 1 229 229 ARG CA C 13 57.385 0.3 . 1 . . . . . 209 ARG CA . 50555 1 954 . 1 . 1 229 229 ARG CB C 13 29.412 0.3 . 1 . . . . . 209 ARG CB . 50555 1 955 . 1 . 1 229 229 ARG N N 15 117.300 0.3 . 1 . . . . . 209 ARG N . 50555 1 956 . 1 . 1 230 230 ALA H H 1 8.228 0.020 . 1 . . . . . 210 ALA H . 50555 1 957 . 1 . 1 230 230 ALA C C 13 178.588 0.3 . 1 . . . . . 210 ALA C . 50555 1 958 . 1 . 1 230 230 ALA CA C 13 56.234 0.3 . 1 . . . . . 210 ALA CA . 50555 1 959 . 1 . 1 230 230 ALA CB C 13 17.604 0.3 . 1 . . . . . 210 ALA CB . 50555 1 960 . 1 . 1 230 230 ALA N N 15 127.523 0.3 . 1 . . . . . 210 ALA N . 50555 1 961 . 1 . 1 231 231 ILE H H 1 8.306 0.020 . 1 . . . . . 211 ILE H . 50555 1 962 . 1 . 1 231 231 ILE C C 13 178.199 0.3 . 1 . . . . . 211 ILE C . 50555 1 963 . 1 . 1 231 231 ILE CA C 13 66.627 0.3 . 1 . . . . . 211 ILE CA . 50555 1 964 . 1 . 1 231 231 ILE CB C 13 38.287 0.3 . 1 . . . . . 211 ILE CB . 50555 1 965 . 1 . 1 231 231 ILE N N 15 118.858 0.3 . 1 . . . . . 211 ILE N . 50555 1 966 . 1 . 1 232 232 GLN H H 1 7.676 0.020 . 1 . . . . . 212 GLN H . 50555 1 967 . 1 . 1 232 232 GLN C C 13 179.137 0.3 . 1 . . . . . 212 GLN C . 50555 1 968 . 1 . 1 232 232 GLN CA C 13 59.370 0.3 . 1 . . . . . 212 GLN CA . 50555 1 969 . 1 . 1 232 232 GLN CB C 13 28.735 0.3 . 1 . . . . . 212 GLN CB . 50555 1 970 . 1 . 1 232 232 GLN N N 15 118.120 0.3 . 1 . . . . . 212 GLN N . 50555 1 971 . 1 . 1 233 233 THR H H 1 8.085 0.020 . 1 . . . . . 213 THR H . 50555 1 972 . 1 . 1 233 233 THR C C 13 175.078 0.3 . 1 . . . . . 213 THR C . 50555 1 973 . 1 . 1 233 233 THR CA C 13 67.553 0.3 . 1 . . . . . 213 THR CA . 50555 1 974 . 1 . 1 233 233 THR CB C 13 68.484 0.3 . 1 . . . . . 213 THR CB . 50555 1 975 . 1 . 1 233 233 THR N N 15 117.000 0.3 . 1 . . . . . 213 THR N . 50555 1 976 . 1 . 1 234 234 LEU H H 1 7.801 0.020 . 1 . . . . . 214 LEU H . 50555 1 977 . 1 . 1 234 234 LEU CA C 13 59.121 0.3 . 1 . . . . . 214 LEU CA . 50555 1 978 . 1 . 1 234 234 LEU N N 15 120.472 0.3 . 1 . . . . . 214 LEU N . 50555 1 979 . 1 . 1 235 235 GLU H H 1 7.106 0.020 . 1 . . . . . 215 GLU H . 50555 1 980 . 1 . 1 235 235 GLU C C 13 176.964 0.3 . 1 . . . . . 215 GLU C . 50555 1 981 . 1 . 1 235 235 GLU CA C 13 60.072 0.3 . 1 . . . . . 215 GLU CA . 50555 1 982 . 1 . 1 235 235 GLU CB C 13 30.171 0.3 . 1 . . . . . 215 GLU CB . 50555 1 983 . 1 . 1 235 235 GLU N N 15 114.241 0.3 . 1 . . . . . 215 GLU N . 50555 1 984 . 1 . 1 236 236 LYS H H 1 7.789 0.020 . 1 . . . . . 216 LYS H . 50555 1 985 . 1 . 1 236 236 LYS C C 13 178.954 0.3 . 1 . . . . . 216 LYS C . 50555 1 986 . 1 . 1 236 236 LYS CA C 13 59.268 0.3 . 1 . . . . . 216 LYS CA . 50555 1 987 . 1 . 1 236 236 LYS CB C 13 32.571 0.3 . 1 . . . . . 216 LYS CB . 50555 1 988 . 1 . 1 236 236 LYS N N 15 116.836 0.3 . 1 . . . . . 216 LYS N . 50555 1 989 . 1 . 1 237 237 LYS H H 1 8.180 0.020 . 1 . . . . . 217 LYS H . 50555 1 990 . 1 . 1 237 237 LYS C C 13 179.732 0.3 . 1 . . . . . 217 LYS C . 50555 1 991 . 1 . 1 237 237 LYS CA C 13 57.830 0.3 . 1 . . . . . 217 LYS CA . 50555 1 992 . 1 . 1 237 237 LYS CB C 13 31.292 0.3 . 1 . . . . . 217 LYS CB . 50555 1 993 . 1 . 1 237 237 LYS N N 15 114.570 0.3 . 1 . . . . . 217 LYS N . 50555 1 994 . 1 . 1 238 238 VAL H H 1 7.105 0.020 . 1 . . . . . 218 VAL H . 50555 1 995 . 1 . 1 238 238 VAL C C 13 178.130 0.3 . 1 . . . . . 218 VAL C . 50555 1 996 . 1 . 1 238 238 VAL CA C 13 67.158 0.3 . 1 . . . . . 218 VAL CA . 50555 1 997 . 1 . 1 238 238 VAL CB C 13 31.744 0.3 . 1 . . . . . 218 VAL CB . 50555 1 998 . 1 . 1 238 238 VAL N N 15 115.525 0.3 . 1 . . . . . 218 VAL N . 50555 1 999 . 1 . 1 239 239 LEU H H 1 8.439 0.020 . 1 . . . . . 219 LEU H . 50555 1 1000 . 1 . 1 239 239 LEU C C 13 179.938 0.3 . 1 . . . . . 219 LEU C . 50555 1 1001 . 1 . 1 239 239 LEU CA C 13 58.068 0.3 . 1 . . . . . 219 LEU CA . 50555 1 1002 . 1 . 1 239 239 LEU CB C 13 39.641 0.3 . 1 . . . . . 219 LEU CB . 50555 1 1003 . 1 . 1 239 239 LEU N N 15 118.321 0.3 . 1 . . . . . 219 LEU N . 50555 1 1004 . 1 . 1 240 240 ASP H H 1 7.676 0.020 . 1 . . . . . 220 ASP H . 50555 1 1005 . 1 . 1 240 240 ASP C C 13 177.833 0.3 . 1 . . . . . 220 ASP C . 50555 1 1006 . 1 . 1 240 240 ASP CA C 13 57.231 0.3 . 1 . . . . . 220 ASP CA . 50555 1 1007 . 1 . 1 240 240 ASP CB C 13 40.920 0.3 . 1 . . . . . 220 ASP CB . 50555 1 1008 . 1 . 1 240 240 ASP N N 15 116.645 0.3 . 1 . . . . . 220 ASP N . 50555 1 1009 . 1 . 1 241 241 ILE H H 1 6.952 0.020 . 1 . . . . . 221 ILE H . 50555 1 1010 . 1 . 1 241 241 ILE C C 13 178.794 0.3 . 1 . . . . . 221 ILE C . 50555 1 1011 . 1 . 1 241 241 ILE CA C 13 64.461 0.3 . 1 . . . . . 221 ILE CA . 50555 1 1012 . 1 . 1 241 241 ILE CB C 13 39.265 0.3 . 1 . . . . . 221 ILE CB . 50555 1 1013 . 1 . 1 241 241 ILE N N 15 118.861 0.3 . 1 . . . . . 221 ILE N . 50555 1 1014 . 1 . 1 242 242 VAL H H 1 7.307 0.020 . 1 . . . . . 222 VAL H . 50555 1 1015 . 1 . 1 242 242 VAL C C 13 176.941 0.3 . 1 . . . . . 222 VAL C . 50555 1 1016 . 1 . 1 242 242 VAL CA C 13 62.143 0.3 . 1 . . . . . 222 VAL CA . 50555 1 1017 . 1 . 1 242 242 VAL CB C 13 30.616 0.3 . 1 . . . . . 222 VAL CB . 50555 1 1018 . 1 . 1 242 242 VAL N N 15 107.981 0.3 . 1 . . . . . 222 VAL N . 50555 1 1019 . 1 . 1 243 243 LYS H H 1 6.672 0.020 . 1 . . . . . 223 LYS H . 50555 1 1020 . 1 . 1 243 243 LYS C C 13 176.575 0.3 . 1 . . . . . 223 LYS C . 50555 1 1021 . 1 . 1 243 243 LYS CA C 13 58.670 0.3 . 1 . . . . . 223 LYS CA . 50555 1 1022 . 1 . 1 243 243 LYS CB C 13 31.894 0.3 . 1 . . . . . 223 LYS CB . 50555 1 1023 . 1 . 1 243 243 LYS N N 15 118.265 0.3 . 1 . . . . . 223 LYS N . 50555 1 1024 . 1 . 1 244 244 ASP H H 1 7.210 0.020 . 1 . . . . . 224 ASP H . 50555 1 1025 . 1 . 1 244 244 ASP C C 13 176.414 0.3 . 1 . . . . . 224 ASP C . 50555 1 1026 . 1 . 1 244 244 ASP CA C 13 54.809 0.3 . 1 . . . . . 224 ASP CA . 50555 1 1027 . 1 . 1 244 244 ASP CB C 13 41.443 0.3 . 1 . . . . . 224 ASP CB . 50555 1 1028 . 1 . 1 244 244 ASP N N 15 116.161 0.3 . 1 . . . . . 224 ASP N . 50555 1 1029 . 1 . 1 245 245 PHE H H 1 7.632 0.020 . 1 . . . . . 225 PHE H . 50555 1 1030 . 1 . 1 245 245 PHE C C 13 176.441 0.3 . 1 . . . . . 225 PHE C . 50555 1 1031 . 1 . 1 245 245 PHE CA C 13 54.608 0.3 . 1 . . . . . 225 PHE CA . 50555 1 1032 . 1 . 1 245 245 PHE CB C 13 38.739 0.3 . 1 . . . . . 225 PHE CB . 50555 1 1033 . 1 . 1 245 245 PHE N N 15 120.809 0.3 . 1 . . . . . 225 PHE N . 50555 1 1034 . 1 . 1 246 246 GLU H H 1 8.593 0.020 . 1 . . . . . 226 GLU H . 50555 1 1035 . 1 . 1 246 246 GLU C C 13 176.918 0.3 . 1 . . . . . 226 GLU C . 50555 1 1036 . 1 . 1 246 246 GLU CA C 13 59.473 0.3 . 1 . . . . . 226 GLU CA . 50555 1 1037 . 1 . 1 246 246 GLU CB C 13 30.465 0.3 . 1 . . . . . 226 GLU CB . 50555 1 1038 . 1 . 1 246 246 GLU N N 15 121.395 0.3 . 1 . . . . . 226 GLU N . 50555 1 1039 . 1 . 1 247 247 GLU H H 1 7.851 0.020 . 1 . . . . . 227 GLU H . 50555 1 1040 . 1 . 1 247 247 GLU C C 13 174.309 0.3 . 1 . . . . . 227 GLU C . 50555 1 1041 . 1 . 1 247 247 GLU CA C 13 55.040 0.3 . 1 . . . . . 227 GLU CA . 50555 1 1042 . 1 . 1 247 247 GLU CB C 13 33.624 0.3 . 1 . . . . . 227 GLU CB . 50555 1 1043 . 1 . 1 247 247 GLU N N 15 116.682 0.3 . 1 . . . . . 227 GLU N . 50555 1 1044 . 1 . 1 248 248 VAL H H 1 8.051 0.020 . 1 . . . . . 228 VAL H . 50555 1 1045 . 1 . 1 248 248 VAL C C 13 175.568 0.3 . 1 . . . . . 228 VAL C . 50555 1 1046 . 1 . 1 248 248 VAL CA C 13 62.263 0.3 . 1 . . . . . 228 VAL CA . 50555 1 1047 . 1 . 1 248 248 VAL CB C 13 36.933 0.3 . 1 . . . . . 228 VAL CB . 50555 1 1048 . 1 . 1 248 248 VAL N N 15 116.102 0.3 . 1 . . . . . 228 VAL N . 50555 1 1049 . 1 . 1 249 249 THR H H 1 8.976 0.020 . 1 . . . . . 229 THR H . 50555 1 1050 . 1 . 1 249 249 THR C C 13 172.708 0.3 . 1 . . . . . 229 THR C . 50555 1 1051 . 1 . 1 249 249 THR CA C 13 62.835 0.3 . 1 . . . . . 229 THR CA . 50555 1 1052 . 1 . 1 249 249 THR CB C 13 72.133 0.3 . 1 . . . . . 229 THR CB . 50555 1 1053 . 1 . 1 249 249 THR N N 15 123.954 0.3 . 1 . . . . . 229 THR N . 50555 1 1054 . 1 . 1 250 250 LEU H H 1 9.435 0.020 . 1 . . . . . 230 LEU H . 50555 1 1055 . 1 . 1 250 250 LEU C C 13 175.202 0.3 . 1 . . . . . 230 LEU C . 50555 1 1056 . 1 . 1 250 250 LEU CA C 13 53.104 0.3 . 1 . . . . . 230 LEU CA . 50555 1 1057 . 1 . 1 250 250 LEU CB C 13 45.808 0.3 . 1 . . . . . 230 LEU CB . 50555 1 1058 . 1 . 1 250 250 LEU N N 15 125.305 0.3 . 1 . . . . . 230 LEU N . 50555 1 1059 . 1 . 1 251 251 PHE H H 1 8.778 0.020 . 1 . . . . . 231 PHE H . 50555 1 1060 . 1 . 1 251 251 PHE C C 13 175.911 0.3 . 1 . . . . . 231 PHE C . 50555 1 1061 . 1 . 1 251 251 PHE CA C 13 57.334 0.3 . 1 . . . . . 231 PHE CA . 50555 1 1062 . 1 . 1 251 251 PHE CB C 13 44.154 0.3 . 1 . . . . . 231 PHE CB . 50555 1 1063 . 1 . 1 251 251 PHE N N 15 119.702 0.3 . 1 . . . . . 231 PHE N . 50555 1 1064 . 1 . 1 252 252 VAL H H 1 8.830 0.020 . 1 . . . . . 232 VAL H . 50555 1 1065 . 1 . 1 252 252 VAL C C 13 174.401 0.3 . 1 . . . . . 232 VAL C . 50555 1 1066 . 1 . 1 252 252 VAL CA C 13 62.711 0.3 . 1 . . . . . 232 VAL CA . 50555 1 1067 . 1 . 1 252 252 VAL CB C 13 32.797 0.3 . 1 . . . . . 232 VAL CB . 50555 1 1068 . 1 . 1 252 252 VAL N N 15 124.982 0.3 . 1 . . . . . 232 VAL N . 50555 1 1069 . 1 . 1 253 253 ILE H H 1 8.684 0.020 . 1 . . . . . 233 ILE H . 50555 1 1070 . 1 . 1 253 253 ILE C C 13 173.188 0.3 . 1 . . . . . 233 ILE C . 50555 1 1071 . 1 . 1 253 253 ILE CA C 13 59.648 0.3 . 1 . . . . . 233 ILE CA . 50555 1 1072 . 1 . 1 253 253 ILE CB C 13 36.708 0.3 . 1 . . . . . 233 ILE CB . 50555 1 1073 . 1 . 1 253 253 ILE N N 15 124.663 0.3 . 1 . . . . . 233 ILE N . 50555 1 1074 . 1 . 1 254 254 ASN H H 1 8.469 0.020 . 1 . . . . . 234 ASN H . 50555 1 1075 . 1 . 1 254 254 ASN C C 13 174.401 0.3 . 1 . . . . . 234 ASN C . 50555 1 1076 . 1 . 1 254 254 ASN CA C 13 51.532 0.3 . 1 . . . . . 234 ASN CA . 50555 1 1077 . 1 . 1 254 254 ASN CB C 13 42.950 0.3 . 1 . . . . . 234 ASN CB . 50555 1 1078 . 1 . 1 254 254 ASN N N 15 125.330 0.3 . 1 . . . . . 234 ASN N . 50555 1 1079 . 1 . 1 255 255 GLY H H 1 7.568 0.020 . 1 . . . . . 235 GLY H . 50555 1 1080 . 1 . 1 255 255 GLY CA C 13 45.432 0.3 . 1 . . . . . 235 GLY CA . 50555 1 1081 . 1 . 1 255 255 GLY N N 15 112.990 0.3 . 1 . . . . . 235 GLY N . 50555 1 1082 . 1 . 1 256 256 ASP H H 1 8.484 0.020 . 1 . . . . . 236 ASP H . 50555 1 1083 . 1 . 1 256 256 ASP C C 13 176.079 0.3 . 1 . . . . . 236 ASP C . 50555 1 1084 . 1 . 1 256 256 ASP CA C 13 55.554 0.3 . 1 . . . . . 236 ASP CA . 50555 1 1085 . 1 . 1 256 256 ASP CB C 13 38.287 0.3 . 1 . . . . . 236 ASP CB . 50555 1 1086 . 1 . 1 256 256 ASP N N 15 121.236 0.3 . 1 . . . . . 236 ASP N . 50555 1 1087 . 1 . 1 257 257 HIS H H 1 8.466 0.020 . 1 . . . . . 237 HIS H . 50555 1 1088 . 1 . 1 257 257 HIS CA C 13 55.287 0.3 . 1 . . . . . 237 HIS CA . 50555 1 1089 . 1 . 1 257 257 HIS CB C 13 28.395 0.3 . 1 . . . . . 237 HIS CB . 50555 1 1090 . 1 . 1 257 257 HIS N N 15 122.446 0.3 . 1 . . . . . 237 HIS N . 50555 1 1091 . 1 . 1 258 258 PHE H H 1 8.178 0.020 . 1 . . . . . 238 PHE H . 50555 1 1092 . 1 . 1 258 258 PHE CA C 13 62.674 0.3 . 1 . . . . . 238 PHE CA . 50555 1 1093 . 1 . 1 258 258 PHE CB C 13 43.274 0.3 . 1 . . . . . 238 PHE CB . 50555 1 1094 . 1 . 1 258 258 PHE N N 15 128.289 0.3 . 1 . . . . . 238 PHE N . 50555 1 1095 . 1 . 1 259 259 GLU H H 1 8.969 0.020 . 1 . . . . . 239 GLU H . 50555 1 1096 . 1 . 1 259 259 GLU CA C 13 60.765 0.3 . 1 . . . . . 239 GLU CA . 50555 1 1097 . 1 . 1 259 259 GLU N N 15 116.271 0.3 . 1 . . . . . 239 GLU N . 50555 1 1098 . 1 . 1 261 261 GLY H H 1 7.447 0.020 . 1 . . . . . 241 GLY H . 50555 1 1099 . 1 . 1 261 261 GLY CA C 13 47.614 0.3 . 1 . . . . . 241 GLY CA . 50555 1 1100 . 1 . 1 261 261 GLY N N 15 104.501 0.3 . 1 . . . . . 241 GLY N . 50555 1 1101 . 1 . 1 262 262 GLN H H 1 8.177 0.020 . 1 . . . . . 242 GLN H . 50555 1 1102 . 1 . 1 262 262 GLN C C 13 178.085 0.3 . 1 . . . . . 242 GLN C . 50555 1 1103 . 1 . 1 262 262 GLN CA C 13 59.524 0.3 . 1 . . . . . 242 GLN CA . 50555 1 1104 . 1 . 1 262 262 GLN CB C 13 27.757 0.3 . 1 . . . . . 242 GLN CB . 50555 1 1105 . 1 . 1 262 262 GLN N N 15 120.231 0.3 . 1 . . . . . 242 GLN N . 50555 1 1106 . 1 . 1 263 263 ALA H H 1 8.084 0.020 . 1 . . . . . 243 ALA H . 50555 1 1107 . 1 . 1 263 263 ALA C C 13 180.807 0.3 . 1 . . . . . 243 ALA C . 50555 1 1108 . 1 . 1 263 263 ALA CA C 13 55.360 0.3 . 1 . . . . . 243 ALA CA . 50555 1 1109 . 1 . 1 263 263 ALA CB C 13 17.980 0.3 . 1 . . . . . 243 ALA CB . 50555 1 1110 . 1 . 1 263 263 ALA N N 15 120.496 0.3 . 1 . . . . . 243 ALA N . 50555 1 1111 . 1 . 1 264 264 LEU H H 1 7.266 0.020 . 1 . . . . . 244 LEU H . 50555 1 1112 . 1 . 1 264 264 LEU C C 13 177.215 0.3 . 1 . . . . . 244 LEU C . 50555 1 1113 . 1 . 1 264 264 LEU CA C 13 57.814 0.3 . 1 . . . . . 244 LEU CA . 50555 1 1114 . 1 . 1 264 264 LEU CB C 13 41.221 0.3 . 1 . . . . . 244 LEU CB . 50555 1 1115 . 1 . 1 264 264 LEU N N 15 119.829 0.3 . 1 . . . . . 244 LEU N . 50555 1 1116 . 1 . 1 265 265 TYR H H 1 7.987 0.020 . 1 . . . . . 245 TYR H . 50555 1 1117 . 1 . 1 265 265 TYR C C 13 176.369 0.3 . 1 . . . . . 245 TYR C . 50555 1 1118 . 1 . 1 265 265 TYR CA C 13 60.859 0.3 . 1 . . . . . 245 TYR CA . 50555 1 1119 . 1 . 1 265 265 TYR CB C 13 38.793 0.3 . 1 . . . . . 245 TYR CB . 50555 1 1120 . 1 . 1 265 265 TYR N N 15 118.068 0.3 . 1 . . . . . 245 TYR N . 50555 1 1121 . 1 . 1 266 266 LYS H H 1 8.219 0.020 . 1 . . . . . 246 LYS H . 50555 1 1122 . 1 . 1 266 266 LYS C C 13 178.331 0.3 . 1 . . . . . 246 LYS C . 50555 1 1123 . 1 . 1 266 266 LYS CA C 13 58.806 0.3 . 1 . . . . . 246 LYS CA . 50555 1 1124 . 1 . 1 266 266 LYS CB C 13 32.120 0.3 . 1 . . . . . 246 LYS CB . 50555 1 1125 . 1 . 1 266 266 LYS N N 15 117.465 0.3 . 1 . . . . . 246 LYS N . 50555 1 1126 . 1 . 1 267 267 LYS H H 1 7.758 0.020 . 1 . . . . . 247 LYS H . 50555 1 1127 . 1 . 1 267 267 LYS C C 13 179.000 0.3 . 1 . . . . . 247 LYS C . 50555 1 1128 . 1 . 1 267 267 LYS CA C 13 59.422 0.3 . 1 . . . . . 247 LYS CA . 50555 1 1129 . 1 . 1 267 267 LYS CB C 13 32.872 0.3 . 1 . . . . . 247 LYS CB . 50555 1 1130 . 1 . 1 267 267 LYS N N 15 119.360 0.3 . 1 . . . . . 247 LYS N . 50555 1 1131 . 1 . 1 268 268 LEU H H 1 8.130 0.020 . 1 . . . . . 248 LEU H . 50555 1 1132 . 1 . 1 268 268 LEU C C 13 179.365 0.3 . 1 . . . . . 248 LEU C . 50555 1 1133 . 1 . 1 268 268 LEU CA C 13 57.797 0.3 . 1 . . . . . 248 LEU CA . 50555 1 1134 . 1 . 1 268 268 LEU CB C 13 42.478 0.3 . 1 . . . . . 248 LEU CB . 50555 1 1135 . 1 . 1 268 268 LEU N N 15 116.886 0.3 . 1 . . . . . 248 LEU N . 50555 1 1136 . 1 . 1 269 269 GLN H H 1 7.850 0.020 . 1 . . . . . 249 GLN H . 50555 1 1137 . 1 . 1 269 269 GLN C C 13 178.542 0.3 . 1 . . . . . 249 GLN C . 50555 1 1138 . 1 . 1 269 269 GLN CA C 13 59.915 0.3 . 1 . . . . . 249 GLN CA . 50555 1 1139 . 1 . 1 269 269 GLN CB C 13 29.412 0.3 . 1 . . . . . 249 GLN CB . 50555 1 1140 . 1 . 1 269 269 GLN N N 15 116.535 0.3 . 1 . . . . . 249 GLN N . 50555 1 1141 . 1 . 1 270 270 ASP H H 1 7.664 0.020 . 1 . . . . . 250 ASP H . 50555 1 1142 . 1 . 1 270 270 ASP C C 13 178.405 0.3 . 1 . . . . . 250 ASP C . 50555 1 1143 . 1 . 1 270 270 ASP CA C 13 56.878 0.3 . 1 . . . . . 250 ASP CA . 50555 1 1144 . 1 . 1 270 270 ASP CB C 13 40.920 0.3 . 1 . . . . . 250 ASP CB . 50555 1 1145 . 1 . 1 270 270 ASP N N 15 118.133 0.3 . 1 . . . . . 250 ASP N . 50555 1 1146 . 1 . 1 271 271 ASP H H 1 8.333 0.020 . 1 . . . . . 251 ASP H . 50555 1 1147 . 1 . 1 271 271 ASP C C 13 178.268 0.3 . 1 . . . . . 251 ASP C . 50555 1 1148 . 1 . 1 271 271 ASP CA C 13 56.467 0.3 . 1 . . . . . 251 ASP CA . 50555 1 1149 . 1 . 1 271 271 ASP CB C 13 42.123 0.3 . 1 . . . . . 251 ASP CB . 50555 1 1150 . 1 . 1 271 271 ASP N N 15 117.608 0.3 . 1 . . . . . 251 ASP N . 50555 1 1151 . 1 . 1 272 272 CYS H H 1 7.942 0.020 . 1 . . . . . 252 CYS H . 50555 1 1152 . 1 . 1 272 272 CYS C C 13 172.387 0.3 . 1 . . . . . 252 CYS C . 50555 1 1153 . 1 . 1 272 272 CYS CA C 13 60.980 0.3 . 1 . . . . . 252 CYS CA . 50555 1 1154 . 1 . 1 272 272 CYS CB C 13 26.479 0.3 . 1 . . . . . 252 CYS CB . 50555 1 1155 . 1 . 1 272 272 CYS N N 15 117.690 0.3 . 1 . . . . . 252 CYS N . 50555 1 1156 . 1 . 1 274 274 SER H H 1 8.476 0.020 . 1 . . . . . 254 SER H . 50555 1 1157 . 1 . 1 274 274 SER CA C 13 61.225 0.3 . 1 . . . . . 254 SER CA . 50555 1 1158 . 1 . 1 274 274 SER N N 15 118.616 0.3 . 1 . . . . . 254 SER N . 50555 1 1159 . 1 . 1 275 275 ALA H H 1 7.779 0.020 . 1 . . . . . 255 ALA H . 50555 1 1160 . 1 . 1 275 275 ALA C C 13 179.320 0.3 . 1 . . . . . 255 ALA C . 50555 1 1161 . 1 . 1 275 275 ALA CA C 13 53.405 0.3 . 1 . . . . . 255 ALA CA . 50555 1 1162 . 1 . 1 275 275 ALA CB C 13 19.334 0.3 . 1 . . . . . 255 ALA CB . 50555 1 1163 . 1 . 1 275 275 ALA N N 15 118.618 0.3 . 1 . . . . . 255 ALA N . 50555 1 1164 . 1 . 1 276 276 TYR H H 1 7.923 0.020 . 1 . . . . . 256 TYR H . 50555 1 1165 . 1 . 1 276 276 TYR C C 13 176.025 0.3 . 1 . . . . . 256 TYR C . 50555 1 1166 . 1 . 1 276 276 TYR CA C 13 56.570 0.3 . 1 . . . . . 256 TYR CA . 50555 1 1167 . 1 . 1 276 276 TYR CB C 13 36.633 0.3 . 1 . . . . . 256 TYR CB . 50555 1 1168 . 1 . 1 276 276 TYR N N 15 119.146 0.3 . 1 . . . . . 256 TYR N . 50555 1 1169 . 1 . 1 277 277 GLN H H 1 8.334 0.020 . 1 . . . . . 257 GLN H . 50555 1 1170 . 1 . 1 277 277 GLN C C 13 174.309 0.3 . 1 . . . . . 257 GLN C . 50555 1 1171 . 1 . 1 277 277 GLN CA C 13 55.920 0.3 . 1 . . . . . 257 GLN CA . 50555 1 1172 . 1 . 1 277 277 GLN CB C 13 31.593 0.3 . 1 . . . . . 257 GLN CB . 50555 1 1173 . 1 . 1 277 277 GLN N N 15 120.163 0.3 . 1 . . . . . 257 GLN N . 50555 1 1174 . 1 . 1 278 278 VAL H H 1 8.588 0.020 . 1 . . . . . 258 VAL H . 50555 1 1175 . 1 . 1 278 278 VAL C C 13 174.264 0.3 . 1 . . . . . 258 VAL C . 50555 1 1176 . 1 . 1 278 278 VAL CA C 13 62.012 0.3 . 1 . . . . . 258 VAL CA . 50555 1 1177 . 1 . 1 278 278 VAL CB C 13 33.398 0.3 . 1 . . . . . 258 VAL CB . 50555 1 1178 . 1 . 1 278 278 VAL N N 15 124.805 0.3 . 1 . . . . . 258 VAL N . 50555 1 1179 . 1 . 1 279 279 ALA H H 1 8.714 0.020 . 1 . . . . . 259 ALA H . 50555 1 1180 . 1 . 1 279 279 ALA C C 13 173.559 0.3 . 1 . . . . . 259 ALA C . 50555 1 1181 . 1 . 1 279 279 ALA CA C 13 50.998 0.3 . 1 . . . . . 259 ALA CA . 50555 1 1182 . 1 . 1 279 279 ALA CB C 13 22.417 0.3 . 1 . . . . . 259 ALA CB . 50555 1 1183 . 1 . 1 279 279 ALA N N 15 131.760 0.3 . 1 . . . . . 259 ALA N . 50555 1 1184 . 1 . 1 280 280 TYR H H 1 8.047 0.020 . 1 . . . . . 260 TYR H . 50555 1 1185 . 1 . 1 280 280 TYR C C 13 175.339 0.3 . 1 . . . . . 260 TYR C . 50555 1 1186 . 1 . 1 280 280 TYR CA C 13 56.346 0.3 . 1 . . . . . 260 TYR CA . 50555 1 1187 . 1 . 1 280 280 TYR CB C 13 41.145 0.3 . 1 . . . . . 260 TYR CB . 50555 1 1188 . 1 . 1 280 280 TYR N N 15 119.713 0.3 . 1 . . . . . 260 TYR N . 50555 1 1189 . 1 . 1 281 281 SER H H 1 8.234 0.020 . 1 . . . . . 261 SER H . 50555 1 1190 . 1 . 1 281 281 SER CA C 13 56.136 0.3 . 1 . . . . . 261 SER CA . 50555 1 1191 . 1 . 1 281 281 SER CB C 13 63.709 0.3 . 1 . . . . . 261 SER CB . 50555 1 1192 . 1 . 1 281 281 SER N N 15 121.513 0.3 . 1 . . . . . 261 SER N . 50555 1 1193 . 1 . 1 282 282 GLU H H 1 7.818 0.020 . 1 . . . . . 262 GLU H . 50555 1 1194 . 1 . 1 282 282 GLU C C 13 177.513 0.3 . 1 . . . . . 262 GLU C . 50555 1 1195 . 1 . 1 282 282 GLU CA C 13 54.852 0.3 . 1 . . . . . 262 GLU CA . 50555 1 1196 . 1 . 1 282 282 GLU CB C 13 34.602 0.3 . 1 . . . . . 262 GLU CB . 50555 1 1197 . 1 . 1 282 282 GLU N N 15 117.291 0.3 . 1 . . . . . 262 GLU N . 50555 1 1198 . 1 . 1 283 283 PHE H H 1 7.448 0.020 . 1 . . . . . 263 PHE H . 50555 1 1199 . 1 . 1 283 283 PHE C C 13 176.735 0.3 . 1 . . . . . 263 PHE C . 50555 1 1200 . 1 . 1 283 283 PHE CA C 13 58.299 0.3 . 1 . . . . . 263 PHE CA . 50555 1 1201 . 1 . 1 283 283 PHE CB C 13 40.017 0.3 . 1 . . . . . 263 PHE CB . 50555 1 1202 . 1 . 1 283 283 PHE N N 15 117.805 0.3 . 1 . . . . . 263 PHE N . 50555 1 1203 . 1 . 1 286 286 VAL H H 1 8.887 0.020 . 1 . . . . . 266 VAL H . 50555 1 1204 . 1 . 1 286 286 VAL CA C 13 66.650 0.3 . 1 . . . . . 266 VAL CA . 50555 1 1205 . 1 . 1 286 286 VAL N N 15 116.256 0.3 . 1 . . . . . 266 VAL N . 50555 1 1206 . 1 . 1 287 287 VAL H H 1 6.889 0.020 . 1 . . . . . 267 VAL H . 50555 1 1207 . 1 . 1 287 287 VAL C C 13 178.011 0.3 . 1 . . . . . 267 VAL C . 50555 1 1208 . 1 . 1 287 287 VAL CA C 13 66.984 0.3 . 1 . . . . . 267 VAL CA . 50555 1 1209 . 1 . 1 287 287 VAL N N 15 113.771 0.3 . 1 . . . . . 267 VAL N . 50555 1 1210 . 1 . 1 288 288 ALA H H 1 8.227 0.020 . 1 . . . . . 268 ALA H . 50555 1 1211 . 1 . 1 288 288 ALA CA C 13 55.965 0.3 . 1 . . . . . 268 ALA CA . 50555 1 1212 . 1 . 1 288 288 ALA N N 15 121.592 0.3 . 1 . . . . . 268 ALA N . 50555 1 1213 . 1 . 1 289 289 ALA H H 1 8.060 0.020 . 1 . . . . . 269 ALA H . 50555 1 1214 . 1 . 1 289 289 ALA CA C 13 55.091 0.3 . 1 . . . . . 269 ALA CA . 50555 1 1215 . 1 . 1 289 289 ALA CB C 13 18.582 0.3 . 1 . . . . . 269 ALA CB . 50555 1 1216 . 1 . 1 289 289 ALA N N 15 117.868 0.3 . 1 . . . . . 269 ALA N . 50555 1 1217 . 1 . 1 290 290 HIS H H 1 7.014 0.020 . 1 . . . . . 270 HIS H . 50555 1 1218 . 1 . 1 290 290 HIS CA C 13 58.663 0.3 . 1 . . . . . 270 HIS CA . 50555 1 1219 . 1 . 1 290 290 HIS N N 15 114.470 0.3 . 1 . . . . . 270 HIS N . 50555 1 1220 . 1 . 1 291 291 LEU H H 1 7.508 0.020 . 1 . . . . . 271 LEU H . 50555 1 1221 . 1 . 1 291 291 LEU CA C 13 56.957 0.3 . 1 . . . . . 271 LEU CA . 50555 1 1222 . 1 . 1 291 291 LEU CB C 13 42.033 0.3 . 1 . . . . . 271 LEU CB . 50555 1 1223 . 1 . 1 291 291 LEU N N 15 112.710 0.3 . 1 . . . . . 271 LEU N . 50555 1 1224 . 1 . 1 292 292 GLY H H 1 8.435 0.020 . 1 . . . . . 272 GLY H . 50555 1 1225 . 1 . 1 292 292 GLY CA C 13 44.326 0.3 . 1 . . . . . 272 GLY CA . 50555 1 1226 . 1 . 1 292 292 GLY N N 15 104.949 0.3 . 1 . . . . . 272 GLY N . 50555 1 1227 . 1 . 1 293 293 SER H H 1 8.243 0.020 . 1 . . . . . 273 SER H . 50555 1 1228 . 1 . 1 293 293 SER C C 13 176.895 0.3 . 1 . . . . . 273 SER C . 50555 1 1229 . 1 . 1 293 293 SER CA C 13 59.685 0.3 . 1 . . . . . 273 SER CA . 50555 1 1230 . 1 . 1 293 293 SER CB C 13 64.612 0.3 . 1 . . . . . 273 SER CB . 50555 1 1231 . 1 . 1 293 293 SER N N 15 113.455 0.3 . 1 . . . . . 273 SER N . 50555 1 1232 . 1 . 1 294 294 GLY H H 1 10.739 0.020 . 1 . . . . . 274 GLY H . 50555 1 1233 . 1 . 1 294 294 GLY CA C 13 45.959 0.3 . 1 . . . . . 274 GLY CA . 50555 1 1234 . 1 . 1 294 294 GLY N N 15 113.677 0.3 . 1 . . . . . 274 GLY N . 50555 1 1235 . 1 . 1 295 295 GLY H H 1 8.454 0.020 . 1 . . . . . 275 GLY H . 50555 1 1236 . 1 . 1 295 295 GLY CA C 13 46.109 0.3 . 1 . . . . . 275 GLY CA . 50555 1 1237 . 1 . 1 295 295 GLY N N 15 108.226 0.3 . 1 . . . . . 275 GLY N . 50555 1 1238 . 1 . 1 296 296 LEU H H 1 8.345 0.020 . 1 . . . . . 276 LEU H . 50555 1 1239 . 1 . 1 296 296 LEU C C 13 174.332 0.3 . 1 . . . . . 276 LEU C . 50555 1 1240 . 1 . 1 296 296 LEU CA C 13 57.026 0.3 . 1 . . . . . 276 LEU CA . 50555 1 1241 . 1 . 1 296 296 LEU CB C 13 44.003 0.3 . 1 . . . . . 276 LEU CB . 50555 1 1242 . 1 . 1 296 296 LEU N N 15 125.501 0.3 . 1 . . . . . 276 LEU N . 50555 1 1243 . 1 . 1 297 297 GLY H H 1 9.898 0.020 . 1 . . . . . 277 GLY H . 50555 1 1244 . 1 . 1 297 297 GLY CA C 13 44.395 0.3 . 1 . . . . . 277 GLY CA . 50555 1 1245 . 1 . 1 297 297 GLY N N 15 112.627 0.3 . 1 . . . . . 277 GLY N . 50555 1 1246 . 1 . 1 298 298 LEU H H 1 8.886 0.020 . 1 . . . . . 278 LEU H . 50555 1 1247 . 1 . 1 298 298 LEU CA C 13 54.023 0.3 . 1 . . . . . 278 LEU CA . 50555 1 1248 . 1 . 1 298 298 LEU CB C 13 45.583 0.3 . 1 . . . . . 278 LEU CB . 50555 1 1249 . 1 . 1 298 298 LEU N N 15 122.644 0.3 . 1 . . . . . 278 LEU N . 50555 1 1250 . 1 . 1 299 299 GLY H H 1 9.374 0.020 . 1 . . . . . 279 GLY H . 50555 1 1251 . 1 . 1 299 299 GLY CA C 13 43.552 0.3 . 1 . . . . . 279 GLY CA . 50555 1 1252 . 1 . 1 299 299 GLY N N 15 112.715 0.3 . 1 . . . . . 279 GLY N . 50555 1 1253 . 1 . 1 300 300 TYR H H 1 8.617 0.020 . 1 . . . . . 280 TYR H . 50555 1 1254 . 1 . 1 300 300 TYR C C 13 172.433 0.3 . 1 . . . . . 280 TYR C . 50555 1 1255 . 1 . 1 300 300 TYR CA C 13 54.976 0.3 . 1 . . . . . 280 TYR CA . 50555 1 1256 . 1 . 1 300 300 TYR CB C 13 44.451 0.3 . 1 . . . . . 280 TYR CB . 50555 1 1257 . 1 . 1 300 300 TYR N N 15 116.033 0.3 . 1 . . . . . 280 TYR N . 50555 1 1258 . 1 . 1 301 301 VAL H H 1 8.941 0.020 . 1 . . . . . 281 VAL H . 50555 1 1259 . 1 . 1 301 301 VAL C C 13 178.421 0.3 . 1 . . . . . 281 VAL C . 50555 1 1260 . 1 . 1 301 301 VAL CA C 13 60.851 0.3 . 1 . . . . . 281 VAL CA . 50555 1 1261 . 1 . 1 301 301 VAL CB C 13 36.783 0.3 . 1 . . . . . 281 VAL CB . 50555 1 1262 . 1 . 1 301 301 VAL N N 15 116.751 0.3 . 1 . . . . . 281 VAL N . 50555 1 1263 . 1 . 1 302 302 GLY H H 1 8.763 0.020 . 1 . . . . . 282 GLY H . 50555 1 1264 . 1 . 1 302 302 GLY C C 13 175.303 0.3 . 1 . . . . . 282 GLY C . 50555 1 1265 . 1 . 1 302 302 GLY CA C 13 49.043 0.3 . 1 . . . . . 282 GLY CA . 50555 1 1266 . 1 . 1 302 302 GLY N N 15 117.794 0.3 . 1 . . . . . 282 GLY N . 50555 1 1267 . 1 . 1 303 303 ARG H H 1 8.077 0.020 . 1 . . . . . 283 ARG H . 50555 1 1268 . 1 . 1 303 303 ARG C C 13 174.953 0.3 . 1 . . . . . 283 ARG C . 50555 1 1269 . 1 . 1 303 303 ARG CA C 13 53.357 0.3 . 1 . . . . . 283 ARG CA . 50555 1 1270 . 1 . 1 303 303 ARG CB C 13 36.011 0.3 . 1 . . . . . 283 ARG CB . 50555 1 1271 . 1 . 1 303 303 ARG N N 15 116.829 0.3 . 1 . . . . . 283 ARG N . 50555 1 1272 . 1 . 1 304 304 LYS H H 1 8.963 0.020 . 1 . . . . . 284 LYS H . 50555 1 1273 . 1 . 1 304 304 LYS C C 13 174.993 0.3 . 1 . . . . . 284 LYS C . 50555 1 1274 . 1 . 1 304 304 LYS CA C 13 55.434 0.3 . 1 . . . . . 284 LYS CA . 50555 1 1275 . 1 . 1 304 304 LYS CB C 13 31.142 0.3 . 1 . . . . . 284 LYS CB . 50555 1 1276 . 1 . 1 304 304 LYS N N 15 123.970 0.3 . 1 . . . . . 284 LYS N . 50555 1 1277 . 1 . 1 305 305 ILE H H 1 6.421 0.020 . 1 . . . . . 285 ILE H . 50555 1 1278 . 1 . 1 305 305 ILE C C 13 175.134 0.3 . 1 . . . . . 285 ILE C . 50555 1 1279 . 1 . 1 305 305 ILE CA C 13 57.632 0.3 . 1 . . . . . 285 ILE CA . 50555 1 1280 . 1 . 1 305 305 ILE CB C 13 37.460 0.3 . 1 . . . . . 285 ILE CB . 50555 1 1281 . 1 . 1 305 305 ILE N N 15 127.299 0.3 . 1 . . . . . 285 ILE N . 50555 1 1282 . 1 . 1 306 306 ARG H H 1 8.944 0.020 . 1 . . . . . 286 ARG H . 50555 1 1283 . 1 . 1 306 306 ARG C C 13 176.722 0.3 . 1 . . . . . 286 ARG C . 50555 1 1284 . 1 . 1 306 306 ARG CA C 13 57.032 0.3 . 1 . . . . . 286 ARG CA . 50555 1 1285 . 1 . 1 306 306 ARG CB C 13 30.390 0.3 . 1 . . . . . 286 ARG CB . 50555 1 1286 . 1 . 1 306 306 ARG N N 15 128.335 0.3 . 1 . . . . . 286 ARG N . 50555 1 1287 . 1 . 1 307 307 LEU H H 1 8.946 0.020 . 1 . . . . . 287 LEU H . 50555 1 1288 . 1 . 1 307 307 LEU C C 13 175.659 0.3 . 1 . . . . . 287 LEU C . 50555 1 1289 . 1 . 1 307 307 LEU CA C 13 55.252 0.3 . 1 . . . . . 287 LEU CA . 50555 1 1290 . 1 . 1 307 307 LEU CB C 13 41.570 0.3 . 1 . . . . . 287 LEU CB . 50555 1 1291 . 1 . 1 307 307 LEU N N 15 128.818 0.3 . 1 . . . . . 287 LEU N . 50555 1 1292 . 1 . 1 308 308 THR H H 1 6.914 0.020 . 1 . . . . . 288 THR H . 50555 1 1293 . 1 . 1 308 308 THR C C 13 179.023 0.3 . 1 . . . . . 288 THR C . 50555 1 1294 . 1 . 1 308 308 THR CA C 13 61.829 0.3 . 1 . . . . . 288 THR CA . 50555 1 1295 . 1 . 1 308 308 THR CB C 13 71.531 0.3 . 1 . . . . . 288 THR CB . 50555 1 1296 . 1 . 1 308 308 THR N N 15 111.105 0.3 . 1 . . . . . 288 THR N . 50555 1 stop_ save_