data_16588 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16588 _Entry.Title ; NMR Assignment of the C-terminal Domain of yeast Aha-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-27 _Entry.Accession_date 2009-10-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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.Entry_ID 1 Franz Hagn . . . 16588 2 Marco Retzlaff . . . 16588 3 Lars Mitschke . . . 16588 4 Martin Hessling . . . 16588 5 Frederik Gugel . . . 16588 6 Klaus Richter . . . 16588 7 Johannes Buchner . . . 16588 8 Horst Kessler . . . 16588 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Center for Integrated Protein Science, Technische Universitat Munchen' . 16588 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16588 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 385 16588 '15N chemical shifts' 122 16588 '1H chemical shifts' 122 16588 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 . . 2010-03-01 2009-10-27 update BMRB 'completed entry citation' 16588 1 . . 2009-11-24 2009-10-27 original author 'original release' 16588 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16588 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20159554 _Citation.Full_citation . _Citation.Title 'Asymmetric Activation of the Hsp90 Dimer by Its Cochaperone Aha1.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full 'Molecular cell' _Citation.Journal_volume 37 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 344 _Citation.Page_last 354 _Citation.Year 2010 _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.Entry_ID _Citation_author.Citation_ID 1 Marco Retzlaff . . . 16588 1 2 Franz Hagn . . . 16588 1 3 Lars Mitschke . . . 16588 1 4 Martin Hessling . . . 16588 1 5 Frederik Gugel . . . 16588 1 6 Horst Kessler . . . 16588 1 7 Klaus Richter . . . 16588 1 8 Johannes Buchner . . . 16588 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ATPase 16588 1 'Heat shock proteins' 16588 1 NMR 16588 1 structure 16588 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16588 _Assembly.ID 1 _Assembly.Name 'Aha1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Aha1 C-terminal domain' 1 $Aha1 A . yes native no no . Activator . 16588 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Aha1 _Entity.Sf_category entity _Entity.Sf_framecode Aha1 _Entity.Entry_ID 16588 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Aha1 _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 ; GSHMPESQVKSNYTRGNQKS SFTEIKDSASKPKKNALPSS TSTSAPVSSTNKVPQNGSGN STSIYLEPTFNVPSSELYET FLDKQRILAWTRSAQFFNSG PKLETKEKFELFGGNVISEL VSCEKDKKLVFHWKLKDWSA PFNSTIEMTFHESQEFHETK LQVKWTGIPVGEEDRVRANF EEYYVRSIKLTFGFGAVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Resiudes 1-4 represent an artificial peptide sequence after His6 tag removal, residues 5-198 represent Aha1 residues 157-350' _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 198 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Aha1 C-terminal domain' _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ GAA22442 . "K7_Aha1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 98.99 350 97.96 98.47 8.04e-134 . . . . 16588 1 2 no EMBL CAA92357 . "unknown [Saccharomyces cerevisiae]" . . . . . 98.99 350 98.98 99.49 4.15e-136 . . . . 16588 1 3 no EMBL CAA92365 . "unknown [Saccharomyces cerevisiae]" . . . . . 98.99 350 98.98 99.49 4.15e-136 . . . . 16588 1 4 no EMBL CAY78716 . "Aha1p [Saccharomyces cerevisiae EC1118]" . . . . . 98.99 350 97.96 98.47 8.13e-134 . . . . 16588 1 5 no GB AAA73862 . "unknown, partial [Saccharomyces cerevisiae]" . . . . . 98.99 222 98.98 99.49 9.36e-138 . . . . 16588 1 6 no GB AAS56020 . "YDR214W [Saccharomyces cerevisiae]" . . . . . 98.99 350 98.98 99.49 4.15e-136 . . . . 16588 1 7 no GB AHY75197 . "Aha1p [Saccharomyces cerevisiae YJM993]" . . . . . 98.99 350 97.96 98.98 1.27e-134 . . . . 16588 1 8 no GB AJP37925 . "Aha1p [Saccharomyces cerevisiae YJM1078]" . . . . . 98.99 350 98.47 98.98 5.04e-135 . . . . 16588 1 9 no GB AJU58047 . "Aha1p [Saccharomyces cerevisiae YJM189]" . . . . . 98.99 350 97.45 98.98 9.17e-134 . . . . 16588 1 10 no REF NP_010500 . "Aha1p [Saccharomyces cerevisiae S288c]" . . . . . 98.99 350 98.98 99.49 4.15e-136 . . . . 16588 1 11 no SP Q12449 . "RecName: Full=Hsp90 co-chaperone AHA1; AltName: Full=Activator of Hsp90 ATPase protein 1" . . . . . 98.99 350 98.98 99.49 4.15e-136 . . . . 16588 1 12 no TPG DAA12058 . "TPA: Aha1p [Saccharomyces cerevisiae S288c]" . . . . . 98.99 350 98.98 99.49 4.15e-136 . . . . 16588 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Activator of Hsp90 ATPase' 16588 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 1 153 GLY . 16588 1 2 154 SER . 16588 1 3 155 HIS . 16588 1 4 156 MET . 16588 1 5 157 PRO . 16588 1 6 158 GLU . 16588 1 7 159 SER . 16588 1 8 160 GLN . 16588 1 9 161 VAL . 16588 1 10 162 LYS . 16588 1 11 163 SER . 16588 1 12 164 ASN . 16588 1 13 165 TYR . 16588 1 14 166 THR . 16588 1 15 167 ARG . 16588 1 16 168 GLY . 16588 1 17 169 ASN . 16588 1 18 170 GLN . 16588 1 19 171 LYS . 16588 1 20 172 SER . 16588 1 21 173 SER . 16588 1 22 174 PHE . 16588 1 23 175 THR . 16588 1 24 176 GLU . 16588 1 25 177 ILE . 16588 1 26 178 LYS . 16588 1 27 179 ASP . 16588 1 28 180 SER . 16588 1 29 181 ALA . 16588 1 30 182 SER . 16588 1 31 183 LYS . 16588 1 32 184 PRO . 16588 1 33 185 LYS . 16588 1 34 186 LYS . 16588 1 35 187 ASN . 16588 1 36 188 ALA . 16588 1 37 189 LEU . 16588 1 38 190 PRO . 16588 1 39 191 SER . 16588 1 40 192 SER . 16588 1 41 193 THR . 16588 1 42 194 SER . 16588 1 43 195 THR . 16588 1 44 196 SER . 16588 1 45 197 ALA . 16588 1 46 198 PRO . 16588 1 47 199 VAL . 16588 1 48 200 SER . 16588 1 49 201 SER . 16588 1 50 202 THR . 16588 1 51 203 ASN . 16588 1 52 204 LYS . 16588 1 53 205 VAL . 16588 1 54 206 PRO . 16588 1 55 207 GLN . 16588 1 56 208 ASN . 16588 1 57 209 GLY . 16588 1 58 210 SER . 16588 1 59 211 GLY . 16588 1 60 212 ASN . 16588 1 61 213 SER . 16588 1 62 214 THR . 16588 1 63 215 SER . 16588 1 64 216 ILE . 16588 1 65 217 TYR . 16588 1 66 218 LEU . 16588 1 67 219 GLU . 16588 1 68 220 PRO . 16588 1 69 221 THR . 16588 1 70 222 PHE . 16588 1 71 223 ASN . 16588 1 72 224 VAL . 16588 1 73 225 PRO . 16588 1 74 226 SER . 16588 1 75 227 SER . 16588 1 76 228 GLU . 16588 1 77 229 LEU . 16588 1 78 230 TYR . 16588 1 79 231 GLU . 16588 1 80 232 THR . 16588 1 81 233 PHE . 16588 1 82 234 LEU . 16588 1 83 235 ASP . 16588 1 84 236 LYS . 16588 1 85 237 GLN . 16588 1 86 238 ARG . 16588 1 87 239 ILE . 16588 1 88 240 LEU . 16588 1 89 241 ALA . 16588 1 90 242 TRP . 16588 1 91 243 THR . 16588 1 92 244 ARG . 16588 1 93 245 SER . 16588 1 94 246 ALA . 16588 1 95 247 GLN . 16588 1 96 248 PHE . 16588 1 97 249 PHE . 16588 1 98 250 ASN . 16588 1 99 251 SER . 16588 1 100 252 GLY . 16588 1 101 253 PRO . 16588 1 102 254 LYS . 16588 1 103 255 LEU . 16588 1 104 256 GLU . 16588 1 105 257 THR . 16588 1 106 258 LYS . 16588 1 107 259 GLU . 16588 1 108 260 LYS . 16588 1 109 261 PHE . 16588 1 110 262 GLU . 16588 1 111 263 LEU . 16588 1 112 264 PHE . 16588 1 113 265 GLY . 16588 1 114 266 GLY . 16588 1 115 267 ASN . 16588 1 116 268 VAL . 16588 1 117 269 ILE . 16588 1 118 270 SER . 16588 1 119 271 GLU . 16588 1 120 272 LEU . 16588 1 121 273 VAL . 16588 1 122 274 SER . 16588 1 123 275 CYS . 16588 1 124 276 GLU . 16588 1 125 277 LYS . 16588 1 126 278 ASP . 16588 1 127 279 LYS . 16588 1 128 280 LYS . 16588 1 129 281 LEU . 16588 1 130 282 VAL . 16588 1 131 283 PHE . 16588 1 132 284 HIS . 16588 1 133 285 TRP . 16588 1 134 286 LYS . 16588 1 135 287 LEU . 16588 1 136 288 LYS . 16588 1 137 289 ASP . 16588 1 138 290 TRP . 16588 1 139 291 SER . 16588 1 140 292 ALA . 16588 1 141 293 PRO . 16588 1 142 294 PHE . 16588 1 143 295 ASN . 16588 1 144 296 SER . 16588 1 145 297 THR . 16588 1 146 298 ILE . 16588 1 147 299 GLU . 16588 1 148 300 MET . 16588 1 149 301 THR . 16588 1 150 302 PHE . 16588 1 151 303 HIS . 16588 1 152 304 GLU . 16588 1 153 305 SER . 16588 1 154 306 GLN . 16588 1 155 307 GLU . 16588 1 156 308 PHE . 16588 1 157 309 HIS . 16588 1 158 310 GLU . 16588 1 159 311 THR . 16588 1 160 312 LYS . 16588 1 161 313 LEU . 16588 1 162 314 GLN . 16588 1 163 315 VAL . 16588 1 164 316 LYS . 16588 1 165 317 TRP . 16588 1 166 318 THR . 16588 1 167 319 GLY . 16588 1 168 320 ILE . 16588 1 169 321 PRO . 16588 1 170 322 VAL . 16588 1 171 323 GLY . 16588 1 172 324 GLU . 16588 1 173 325 GLU . 16588 1 174 326 ASP . 16588 1 175 327 ARG . 16588 1 176 328 VAL . 16588 1 177 329 ARG . 16588 1 178 330 ALA . 16588 1 179 331 ASN . 16588 1 180 332 PHE . 16588 1 181 333 GLU . 16588 1 182 334 GLU . 16588 1 183 335 TYR . 16588 1 184 336 TYR . 16588 1 185 337 VAL . 16588 1 186 338 ARG . 16588 1 187 339 SER . 16588 1 188 340 ILE . 16588 1 189 341 LYS . 16588 1 190 342 LEU . 16588 1 191 343 THR . 16588 1 192 344 PHE . 16588 1 193 345 GLY . 16588 1 194 346 PHE . 16588 1 195 347 GLY . 16588 1 196 348 ALA . 16588 1 197 349 VAL . 16588 1 198 350 LEU . 16588 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16588 1 . SER 2 2 16588 1 . HIS 3 3 16588 1 . MET 4 4 16588 1 . PRO 5 5 16588 1 . GLU 6 6 16588 1 . SER 7 7 16588 1 . GLN 8 8 16588 1 . VAL 9 9 16588 1 . LYS 10 10 16588 1 . SER 11 11 16588 1 . ASN 12 12 16588 1 . TYR 13 13 16588 1 . THR 14 14 16588 1 . ARG 15 15 16588 1 . GLY 16 16 16588 1 . ASN 17 17 16588 1 . GLN 18 18 16588 1 . LYS 19 19 16588 1 . SER 20 20 16588 1 . SER 21 21 16588 1 . PHE 22 22 16588 1 . THR 23 23 16588 1 . GLU 24 24 16588 1 . ILE 25 25 16588 1 . LYS 26 26 16588 1 . ASP 27 27 16588 1 . SER 28 28 16588 1 . ALA 29 29 16588 1 . SER 30 30 16588 1 . LYS 31 31 16588 1 . PRO 32 32 16588 1 . LYS 33 33 16588 1 . LYS 34 34 16588 1 . ASN 35 35 16588 1 . ALA 36 36 16588 1 . LEU 37 37 16588 1 . PRO 38 38 16588 1 . SER 39 39 16588 1 . SER 40 40 16588 1 . THR 41 41 16588 1 . SER 42 42 16588 1 . THR 43 43 16588 1 . SER 44 44 16588 1 . ALA 45 45 16588 1 . PRO 46 46 16588 1 . VAL 47 47 16588 1 . SER 48 48 16588 1 . SER 49 49 16588 1 . THR 50 50 16588 1 . ASN 51 51 16588 1 . LYS 52 52 16588 1 . VAL 53 53 16588 1 . PRO 54 54 16588 1 . GLN 55 55 16588 1 . ASN 56 56 16588 1 . GLY 57 57 16588 1 . SER 58 58 16588 1 . GLY 59 59 16588 1 . ASN 60 60 16588 1 . SER 61 61 16588 1 . THR 62 62 16588 1 . SER 63 63 16588 1 . ILE 64 64 16588 1 . TYR 65 65 16588 1 . LEU 66 66 16588 1 . GLU 67 67 16588 1 . PRO 68 68 16588 1 . THR 69 69 16588 1 . PHE 70 70 16588 1 . ASN 71 71 16588 1 . VAL 72 72 16588 1 . PRO 73 73 16588 1 . SER 74 74 16588 1 . SER 75 75 16588 1 . GLU 76 76 16588 1 . LEU 77 77 16588 1 . TYR 78 78 16588 1 . GLU 79 79 16588 1 . THR 80 80 16588 1 . PHE 81 81 16588 1 . LEU 82 82 16588 1 . ASP 83 83 16588 1 . LYS 84 84 16588 1 . GLN 85 85 16588 1 . ARG 86 86 16588 1 . ILE 87 87 16588 1 . LEU 88 88 16588 1 . ALA 89 89 16588 1 . TRP 90 90 16588 1 . THR 91 91 16588 1 . ARG 92 92 16588 1 . SER 93 93 16588 1 . ALA 94 94 16588 1 . GLN 95 95 16588 1 . PHE 96 96 16588 1 . PHE 97 97 16588 1 . ASN 98 98 16588 1 . SER 99 99 16588 1 . GLY 100 100 16588 1 . PRO 101 101 16588 1 . LYS 102 102 16588 1 . LEU 103 103 16588 1 . GLU 104 104 16588 1 . THR 105 105 16588 1 . LYS 106 106 16588 1 . GLU 107 107 16588 1 . LYS 108 108 16588 1 . PHE 109 109 16588 1 . GLU 110 110 16588 1 . LEU 111 111 16588 1 . PHE 112 112 16588 1 . GLY 113 113 16588 1 . GLY 114 114 16588 1 . ASN 115 115 16588 1 . VAL 116 116 16588 1 . ILE 117 117 16588 1 . SER 118 118 16588 1 . GLU 119 119 16588 1 . LEU 120 120 16588 1 . VAL 121 121 16588 1 . SER 122 122 16588 1 . CYS 123 123 16588 1 . GLU 124 124 16588 1 . LYS 125 125 16588 1 . ASP 126 126 16588 1 . LYS 127 127 16588 1 . LYS 128 128 16588 1 . LEU 129 129 16588 1 . VAL 130 130 16588 1 . PHE 131 131 16588 1 . HIS 132 132 16588 1 . TRP 133 133 16588 1 . LYS 134 134 16588 1 . LEU 135 135 16588 1 . LYS 136 136 16588 1 . ASP 137 137 16588 1 . TRP 138 138 16588 1 . SER 139 139 16588 1 . ALA 140 140 16588 1 . PRO 141 141 16588 1 . PHE 142 142 16588 1 . ASN 143 143 16588 1 . SER 144 144 16588 1 . THR 145 145 16588 1 . ILE 146 146 16588 1 . GLU 147 147 16588 1 . MET 148 148 16588 1 . THR 149 149 16588 1 . PHE 150 150 16588 1 . HIS 151 151 16588 1 . GLU 152 152 16588 1 . SER 153 153 16588 1 . GLN 154 154 16588 1 . GLU 155 155 16588 1 . PHE 156 156 16588 1 . HIS 157 157 16588 1 . GLU 158 158 16588 1 . THR 159 159 16588 1 . LYS 160 160 16588 1 . LEU 161 161 16588 1 . GLN 162 162 16588 1 . VAL 163 163 16588 1 . LYS 164 164 16588 1 . TRP 165 165 16588 1 . THR 166 166 16588 1 . GLY 167 167 16588 1 . ILE 168 168 16588 1 . PRO 169 169 16588 1 . VAL 170 170 16588 1 . GLY 171 171 16588 1 . GLU 172 172 16588 1 . GLU 173 173 16588 1 . ASP 174 174 16588 1 . ARG 175 175 16588 1 . VAL 176 176 16588 1 . ARG 177 177 16588 1 . ALA 178 178 16588 1 . ASN 179 179 16588 1 . PHE 180 180 16588 1 . GLU 181 181 16588 1 . GLU 182 182 16588 1 . TYR 183 183 16588 1 . TYR 184 184 16588 1 . VAL 185 185 16588 1 . ARG 186 186 16588 1 . SER 187 187 16588 1 . ILE 188 188 16588 1 . LYS 189 189 16588 1 . LEU 190 190 16588 1 . THR 191 191 16588 1 . PHE 192 192 16588 1 . GLY 193 193 16588 1 . PHE 194 194 16588 1 . GLY 195 195 16588 1 . ALA 196 196 16588 1 . VAL 197 197 16588 1 . LEU 198 198 16588 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16588 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Aha1 . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 16588 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16588 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Aha1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET28a . . . 'N-terminal His6-tag, cleavable with Thrombin' . . 16588 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16588 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2mM Aha1 C-terminal domain in 20mM K-phospate 50mM KCl pH7.5' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Aha1 '[U-100% 13C; U-100% 15N]' . . 1 $Aha1 . . 1.2 . . mM 0.1 . . . 16588 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16588 1 3 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 16588 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16588 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16588 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16588 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 20mM K-phosphate pH7.5 50mM KCl ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 16588 1 pH 7.5 . pH 16588 1 pressure 1 . atm 16588 1 temperature 298 . K 16588 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16588 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16588 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16588 1 processing 16588 1 stop_ save_ save_PASTA _Software.Sf_category software _Software.Sf_framecode PASTA _Software.Entry_ID 16588 _Software.ID 2 _Software.Name PASTA _Software.Version 2 _Software.Details 'NMR Assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Gemmecker and Kessler' . . 16588 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16588 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16588 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16588 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16588 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16588 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16588 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 750 . . . 16588 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16588 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16588 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16588 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16588 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16588 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16588 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16588 1 7 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16588 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16588 _Chem_shift_reference.ID 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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16588 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16588 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16588 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16588 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16588 1 2 '3D HNCO' . . . 16588 1 3 '3D HNCA' . . . 16588 1 4 '3D HNCACB' . . . 16588 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 60 60 ASN C C 13 174.55 0.05 . 1 . . . . 212 ASN C . 16588 1 2 . 1 1 60 60 ASN CA C 13 52.87 0.05 . 1 . . . . 212 ASN CA . 16588 1 3 . 1 1 60 60 ASN CB C 13 38.48 0.05 . 1 . . . . 212 ASN CB . 16588 1 4 . 1 1 61 61 SER H H 1 8.10 0.02 . 1 . . . . 213 SER H . 16588 1 5 . 1 1 61 61 SER C C 13 172.99 0.05 . 1 . . . . 213 SER C . 16588 1 6 . 1 1 61 61 SER CA C 13 57.03 0.05 . 1 . . . . 213 SER CA . 16588 1 7 . 1 1 61 61 SER CB C 13 65.77 0.05 . 1 . . . . 213 SER CB . 16588 1 8 . 1 1 61 61 SER N N 15 114.52 0.05 . 1 . . . . 213 SER N . 16588 1 9 . 1 1 62 62 THR H H 1 9.44 0.02 . 1 . . . . 214 THR H . 16588 1 10 . 1 1 62 62 THR C C 13 171.88 0.05 . 1 . . . . 214 THR C . 16588 1 11 . 1 1 62 62 THR CA C 13 59.30 0.05 . 1 . . . . 214 THR CA . 16588 1 12 . 1 1 62 62 THR CB C 13 70.06 0.05 . 1 . . . . 214 THR CB . 16588 1 13 . 1 1 62 62 THR N N 15 116.90 0.05 . 1 . . . . 214 THR N . 16588 1 14 . 1 1 63 63 SER H H 1 8.01 0.02 . 1 . . . . 215 SER H . 16588 1 15 . 1 1 63 63 SER C C 13 173.53 0.05 . 1 . . . . 215 SER C . 16588 1 16 . 1 1 63 63 SER CA C 13 55.68 0.05 . 1 . . . . 215 SER CA . 16588 1 17 . 1 1 63 63 SER CB C 13 66.67 0.05 . 1 . . . . 215 SER CB . 16588 1 18 . 1 1 63 63 SER N N 15 114.51 0.05 . 1 . . . . 215 SER N . 16588 1 19 . 1 1 64 64 ILE H H 1 8.99 0.02 . 1 . . . . 216 ILE H . 16588 1 20 . 1 1 64 64 ILE C C 13 173.18 0.05 . 1 . . . . 216 ILE C . 16588 1 21 . 1 1 64 64 ILE CA C 13 59.84 0.05 . 1 . . . . 216 ILE CA . 16588 1 22 . 1 1 64 64 ILE CB C 13 42.22 0.05 . 1 . . . . 216 ILE CB . 16588 1 23 . 1 1 64 64 ILE N N 15 115.15 0.05 . 1 . . . . 216 ILE N . 16588 1 24 . 1 1 65 65 TYR H H 1 8.17 0.02 . 1 . . . . 217 TYR H . 16588 1 25 . 1 1 65 65 TYR C C 13 175.04 0.05 . 1 . . . . 217 TYR C . 16588 1 26 . 1 1 65 65 TYR CA C 13 56.22 0.05 . 1 . . . . 217 TYR CA . 16588 1 27 . 1 1 65 65 TYR CB C 13 40.98 0.05 . 1 . . . . 217 TYR CB . 16588 1 28 . 1 1 65 65 TYR N N 15 121.37 0.05 . 1 . . . . 217 TYR N . 16588 1 29 . 1 1 66 66 LEU H H 1 8.43 0.02 . 1 . . . . 218 LEU H . 16588 1 30 . 1 1 66 66 LEU C C 13 176.00 0.05 . 1 . . . . 218 LEU C . 16588 1 31 . 1 1 66 66 LEU CA C 13 53.55 0.05 . 1 . . . . 218 LEU CA . 16588 1 32 . 1 1 66 66 LEU CB C 13 45.05 0.05 . 1 . . . . 218 LEU CB . 16588 1 33 . 1 1 66 66 LEU N N 15 124.76 0.05 . 1 . . . . 218 LEU N . 16588 1 34 . 1 1 73 73 PRO CA C 13 62.07 0.05 . 1 . . . . 225 PRO CA . 16588 1 35 . 1 1 73 73 PRO CB C 13 31.97 0.05 . 1 . . . . 225 PRO CB . 16588 1 36 . 1 1 74 74 SER H H 1 8.85 0.02 . 1 . . . . 226 SER H . 16588 1 37 . 1 1 74 74 SER C C 13 176.50 0.05 . 1 . . . . 226 SER C . 16588 1 38 . 1 1 74 74 SER CA C 13 62.52 0.05 . 1 . . . . 226 SER CA . 16588 1 39 . 1 1 74 74 SER CB C 13 64.40 0.05 . 1 . . . . 226 SER CB . 16588 1 40 . 1 1 74 74 SER N N 15 119.97 0.05 . 1 . . . . 226 SER N . 16588 1 41 . 1 1 75 75 SER H H 1 8.42 0.02 . 1 . . . . 227 SER H . 16588 1 42 . 1 1 75 75 SER C C 13 177.01 0.05 . 1 . . . . 227 SER C . 16588 1 43 . 1 1 75 75 SER CA C 13 60.41 0.05 . 1 . . . . 227 SER CA . 16588 1 44 . 1 1 75 75 SER CB C 13 61.92 0.05 . 1 . . . . 227 SER CB . 16588 1 45 . 1 1 75 75 SER N N 15 115.22 0.05 . 1 . . . . 227 SER N . 16588 1 46 . 1 1 76 76 GLU H H 1 6.64 0.02 . 1 . . . . 228 GLU H . 16588 1 47 . 1 1 76 76 GLU C C 13 179.48 0.05 . 1 . . . . 228 GLU C . 16588 1 48 . 1 1 76 76 GLU CA C 13 57.48 0.05 . 1 . . . . 228 GLU CA . 16588 1 49 . 1 1 76 76 GLU CB C 13 29.27 0.05 . 1 . . . . 228 GLU CB . 16588 1 50 . 1 1 76 76 GLU N N 15 119.93 0.05 . 1 . . . . 228 GLU N . 16588 1 51 . 1 1 77 77 LEU H H 1 7.38 0.02 . 1 . . . . 229 LEU H . 16588 1 52 . 1 1 77 77 LEU C C 13 177.01 0.05 . 1 . . . . 229 LEU C . 16588 1 53 . 1 1 77 77 LEU CA C 13 57.11 0.05 . 1 . . . . 229 LEU CA . 16588 1 54 . 1 1 77 77 LEU CB C 13 40.54 0.05 . 1 . . . . 229 LEU CB . 16588 1 55 . 1 1 77 77 LEU N N 15 122.13 0.05 . 1 . . . . 229 LEU N . 16588 1 56 . 1 1 78 78 TYR H H 1 8.75 0.02 . 1 . . . . 230 TYR H . 16588 1 57 . 1 1 78 78 TYR C C 13 177.06 0.05 . 1 . . . . 230 TYR C . 16588 1 58 . 1 1 78 78 TYR CA C 13 62.26 0.05 . 1 . . . . 230 TYR CA . 16588 1 59 . 1 1 78 78 TYR CB C 13 38.18 0.05 . 1 . . . . 230 TYR CB . 16588 1 60 . 1 1 78 78 TYR N N 15 120.30 0.05 . 1 . . . . 230 TYR N . 16588 1 61 . 1 1 79 79 GLU H H 1 7.46 0.02 . 1 . . . . 231 GLU H . 16588 1 62 . 1 1 79 79 GLU C C 13 179.14 0.05 . 1 . . . . 231 GLU C . 16588 1 63 . 1 1 79 79 GLU CA C 13 58.25 0.05 . 1 . . . . 231 GLU CA . 16588 1 64 . 1 1 79 79 GLU CB C 13 29.14 0.05 . 1 . . . . 231 GLU CB . 16588 1 65 . 1 1 79 79 GLU N N 15 114.62 0.05 . 1 . . . . 231 GLU N . 16588 1 66 . 1 1 80 80 THR H H 1 7.48 0.02 . 1 . . . . 232 THR H . 16588 1 67 . 1 1 80 80 THR C C 13 172.89 0.05 . 1 . . . . 232 THR C . 16588 1 68 . 1 1 80 80 THR CA C 13 66.65 0.05 . 1 . . . . 232 THR CA . 16588 1 69 . 1 1 80 80 THR CB C 13 67.61 0.05 . 1 . . . . 232 THR CB . 16588 1 70 . 1 1 80 80 THR N N 15 116.38 0.05 . 1 . . . . 232 THR N . 16588 1 71 . 1 1 81 81 PHE H H 1 7.11 0.02 . 1 . . . . 233 PHE H . 16588 1 72 . 1 1 81 81 PHE C C 13 175.18 0.05 . 1 . . . . 233 PHE C . 16588 1 73 . 1 1 81 81 PHE CA C 13 59.78 0.05 . 1 . . . . 233 PHE CA . 16588 1 74 . 1 1 81 81 PHE CB C 13 41.05 0.05 . 1 . . . . 233 PHE CB . 16588 1 75 . 1 1 81 81 PHE N N 15 114.26 0.05 . 1 . . . . 233 PHE N . 16588 1 76 . 1 1 82 82 LEU H H 1 7.01 0.02 . 1 . . . . 234 LEU H . 16588 1 77 . 1 1 82 82 LEU C C 13 176.28 0.05 . 1 . . . . 234 LEU C . 16588 1 78 . 1 1 82 82 LEU CA C 13 55.27 0.05 . 1 . . . . 234 LEU CA . 16588 1 79 . 1 1 82 82 LEU CB C 13 45.84 0.05 . 1 . . . . 234 LEU CB . 16588 1 80 . 1 1 82 82 LEU N N 15 115.98 0.05 . 1 . . . . 234 LEU N . 16588 1 81 . 1 1 83 83 ASP H H 1 8.25 0.02 . 1 . . . . 235 ASP H . 16588 1 82 . 1 1 83 83 ASP C C 13 176.18 0.05 . 1 . . . . 235 ASP C . 16588 1 83 . 1 1 83 83 ASP CA C 13 54.74 0.05 . 1 . . . . 235 ASP CA . 16588 1 84 . 1 1 83 83 ASP CB C 13 42.23 0.05 . 1 . . . . 235 ASP CB . 16588 1 85 . 1 1 83 83 ASP N N 15 119.45 0.05 . 1 . . . . 235 ASP N . 16588 1 86 . 1 1 84 84 LYS H H 1 7.91 0.02 . 1 . . . . 236 LYS H . 16588 1 87 . 1 1 84 84 LYS C C 13 177.82 0.05 . 1 . . . . 236 LYS C . 16588 1 88 . 1 1 84 84 LYS CA C 13 60.61 0.05 . 1 . . . . 236 LYS CA . 16588 1 89 . 1 1 84 84 LYS CB C 13 31.27 0.05 . 1 . . . . 236 LYS CB . 16588 1 90 . 1 1 84 84 LYS N N 15 126.15 0.05 . 1 . . . . 236 LYS N . 16588 1 91 . 1 1 85 85 GLN H H 1 8.08 0.02 . 1 . . . . 237 GLN H . 16588 1 92 . 1 1 85 85 GLN C C 13 180.07 0.05 . 1 . . . . 237 GLN C . 16588 1 93 . 1 1 85 85 GLN CA C 13 58.85 0.05 . 1 . . . . 237 GLN CA . 16588 1 94 . 1 1 85 85 GLN CB C 13 27.06 0.05 . 1 . . . . 237 GLN CB . 16588 1 95 . 1 1 85 85 GLN N N 15 118.49 0.05 . 1 . . . . 237 GLN N . 16588 1 96 . 1 1 86 86 ARG H H 1 8.39 0.02 . 1 . . . . 238 ARG H . 16588 1 97 . 1 1 86 86 ARG C C 13 177.84 0.05 . 1 . . . . 238 ARG C . 16588 1 98 . 1 1 86 86 ARG CA C 13 60.31 0.05 . 1 . . . . 238 ARG CA . 16588 1 99 . 1 1 86 86 ARG CB C 13 29.34 0.05 . 1 . . . . 238 ARG CB . 16588 1 100 . 1 1 86 86 ARG N N 15 120.88 0.05 . 1 . . . . 238 ARG N . 16588 1 101 . 1 1 87 87 ILE H H 1 8.65 0.02 . 1 . . . . 239 ILE H . 16588 1 102 . 1 1 87 87 ILE C C 13 180.38 0.05 . 1 . . . . 239 ILE C . 16588 1 103 . 1 1 87 87 ILE CA C 13 64.18 0.05 . 1 . . . . 239 ILE CA . 16588 1 104 . 1 1 87 87 ILE CB C 13 37.90 0.05 . 1 . . . . 239 ILE CB . 16588 1 105 . 1 1 87 87 ILE N N 15 118.68 0.05 . 1 . . . . 239 ILE N . 16588 1 106 . 1 1 88 88 LEU H H 1 8.31 0.02 . 1 . . . . 240 LEU H . 16588 1 107 . 1 1 88 88 LEU C C 13 178.70 0.05 . 1 . . . . 240 LEU C . 16588 1 108 . 1 1 88 88 LEU CA C 13 57.99 0.05 . 1 . . . . 240 LEU CA . 16588 1 109 . 1 1 88 88 LEU CB C 13 41.02 0.05 . 1 . . . . 240 LEU CB . 16588 1 110 . 1 1 88 88 LEU N N 15 122.20 0.05 . 1 . . . . 240 LEU N . 16588 1 111 . 1 1 89 89 ALA H H 1 7.43 0.02 . 1 . . . . 241 ALA H . 16588 1 112 . 1 1 89 89 ALA C C 13 178.98 0.05 . 1 . . . . 241 ALA C . 16588 1 113 . 1 1 89 89 ALA CA C 13 54.86 0.05 . 1 . . . . 241 ALA CA . 16588 1 114 . 1 1 89 89 ALA CB C 13 17.52 0.05 . 1 . . . . 241 ALA CB . 16588 1 115 . 1 1 89 89 ALA N N 15 121.42 0.05 . 1 . . . . 241 ALA N . 16588 1 116 . 1 1 90 90 TRP H H 1 7.97 0.02 . 1 . . . . 242 TRP H . 16588 1 117 . 1 1 90 90 TRP C C 13 178.85 0.05 . 1 . . . . 242 TRP C . 16588 1 118 . 1 1 90 90 TRP CA C 13 57.58 0.05 . 1 . . . . 242 TRP CA . 16588 1 119 . 1 1 90 90 TRP CB C 13 28.90 0.05 . 1 . . . . 242 TRP CB . 16588 1 120 . 1 1 90 90 TRP N N 15 110.82 0.05 . 1 . . . . 242 TRP N . 16588 1 121 . 1 1 91 91 THR H H 1 7.82 0.02 . 1 . . . . 243 THR H . 16588 1 122 . 1 1 91 91 THR C C 13 175.13 0.05 . 1 . . . . 243 THR C . 16588 1 123 . 1 1 91 91 THR CA C 13 63.77 0.05 . 1 . . . . 243 THR CA . 16588 1 124 . 1 1 91 91 THR CB C 13 69.59 0.05 . 1 . . . . 243 THR CB . 16588 1 125 . 1 1 91 91 THR N N 15 114.02 0.05 . 1 . . . . 243 THR N . 16588 1 126 . 1 1 92 92 ARG H H 1 7.42 0.02 . 1 . . . . 244 ARG H . 16588 1 127 . 1 1 92 92 ARG C C 13 175.82 0.05 . 1 . . . . 244 ARG C . 16588 1 128 . 1 1 92 92 ARG CA C 13 57.85 0.05 . 1 . . . . 244 ARG CA . 16588 1 129 . 1 1 92 92 ARG CB C 13 27.21 0.05 . 1 . . . . 244 ARG CB . 16588 1 130 . 1 1 92 92 ARG N N 15 115.22 0.05 . 1 . . . . 244 ARG N . 16588 1 131 . 1 1 93 93 SER H H 1 7.48 0.02 . 1 . . . . 245 SER H . 16588 1 132 . 1 1 93 93 SER C C 13 171.00 0.05 . 1 . . . . 245 SER C . 16588 1 133 . 1 1 93 93 SER CA C 13 57.84 0.05 . 1 . . . . 245 SER CA . 16588 1 134 . 1 1 93 93 SER CB C 13 61.48 0.05 . 1 . . . . 245 SER CB . 16588 1 135 . 1 1 93 93 SER N N 15 112.19 0.05 . 1 . . . . 245 SER N . 16588 1 136 . 1 1 94 94 ALA H H 1 7.73 0.02 . 1 . . . . 246 ALA H . 16588 1 137 . 1 1 94 94 ALA C C 13 174.32 0.05 . 1 . . . . 246 ALA C . 16588 1 138 . 1 1 94 94 ALA CA C 13 51.11 0.05 . 1 . . . . 246 ALA CA . 16588 1 139 . 1 1 94 94 ALA CB C 13 22.49 0.05 . 1 . . . . 246 ALA CB . 16588 1 140 . 1 1 94 94 ALA N N 15 127.99 0.05 . 1 . . . . 246 ALA N . 16588 1 141 . 1 1 95 95 GLN H H 1 8.48 0.02 . 1 . . . . 247 GLN H . 16588 1 142 . 1 1 95 95 GLN C C 13 172.57 0.05 . 1 . . . . 247 GLN C . 16588 1 143 . 1 1 95 95 GLN CA C 13 54.05 0.05 . 1 . . . . 247 GLN CA . 16588 1 144 . 1 1 95 95 GLN CB C 13 30.64 0.05 . 1 . . . . 247 GLN CB . 16588 1 145 . 1 1 95 95 GLN N N 15 121.35 0.05 . 1 . . . . 247 GLN N . 16588 1 146 . 1 1 96 96 PHE H H 1 8.33 0.02 . 1 . . . . 248 PHE H . 16588 1 147 . 1 1 96 96 PHE C C 13 176.12 0.05 . 1 . . . . 248 PHE C . 16588 1 148 . 1 1 96 96 PHE CA C 13 55.39 0.05 . 1 . . . . 248 PHE CA . 16588 1 149 . 1 1 96 96 PHE CB C 13 40.97 0.05 . 1 . . . . 248 PHE CB . 16588 1 150 . 1 1 96 96 PHE N N 15 122.02 0.05 . 1 . . . . 248 PHE N . 16588 1 151 . 1 1 97 97 PHE H H 1 9.72 0.02 . 1 . . . . 249 PHE H . 16588 1 152 . 1 1 97 97 PHE C C 13 175.41 0.05 . 1 . . . . 249 PHE C . 16588 1 153 . 1 1 97 97 PHE CA C 13 58.68 0.05 . 1 . . . . 249 PHE CA . 16588 1 154 . 1 1 97 97 PHE CB C 13 39.62 0.05 . 1 . . . . 249 PHE CB . 16588 1 155 . 1 1 97 97 PHE N N 15 119.89 0.05 . 1 . . . . 249 PHE N . 16588 1 156 . 1 1 98 98 ASN H H 1 8.03 0.02 . 1 . . . . 250 ASN H . 16588 1 157 . 1 1 98 98 ASN C C 13 177.41 0.05 . 1 . . . . 250 ASN C . 16588 1 158 . 1 1 98 98 ASN CA C 13 51.78 0.05 . 1 . . . . 250 ASN CA . 16588 1 159 . 1 1 98 98 ASN CB C 13 39.47 0.05 . 1 . . . . 250 ASN CB . 16588 1 160 . 1 1 98 98 ASN N N 15 117.81 0.05 . 1 . . . . 250 ASN N . 16588 1 161 . 1 1 99 99 SER C C 13 174.80 0.05 . 1 . . . . 251 SER C . 16588 1 162 . 1 1 99 99 SER CA C 13 58.88 0.05 . 1 . . . . 251 SER CA . 16588 1 163 . 1 1 99 99 SER CB C 13 63.80 0.05 . 1 . . . . 251 SER CB . 16588 1 164 . 1 1 100 100 GLY H H 1 8.00 0.02 . 1 . . . . 252 GLY H . 16588 1 165 . 1 1 100 100 GLY C C 13 173.24 0.05 . 1 . . . . 252 GLY C . 16588 1 166 . 1 1 100 100 GLY CA C 13 44.28 0.05 . 1 . . . . 252 GLY CA . 16588 1 167 . 1 1 100 100 GLY N N 15 111.34 0.05 . 1 . . . . 252 GLY N . 16588 1 168 . 1 1 101 101 PRO CA C 13 64.27 0.05 . 1 . . . . 253 PRO CA . 16588 1 169 . 1 1 101 101 PRO CB C 13 31.52 0.05 . 1 . . . . 253 PRO CB . 16588 1 170 . 1 1 102 102 LYS H H 1 7.58 0.02 . 1 . . . . 254 LYS H . 16588 1 171 . 1 1 102 102 LYS C C 13 175.72 0.05 . 1 . . . . 254 LYS C . 16588 1 172 . 1 1 102 102 LYS CA C 13 52.63 0.05 . 1 . . . . 254 LYS CA . 16588 1 173 . 1 1 102 102 LYS CB C 13 34.50 0.05 . 1 . . . . 254 LYS CB . 16588 1 174 . 1 1 102 102 LYS N N 15 117.18 0.05 . 1 . . . . 254 LYS N . 16588 1 175 . 1 1 103 103 LEU H H 1 8.35 0.02 . 1 . . . . 255 LEU H . 16588 1 176 . 1 1 103 103 LEU C C 13 175.46 0.05 . 1 . . . . 255 LEU C . 16588 1 177 . 1 1 103 103 LEU CA C 13 55.34 0.05 . 1 . . . . 255 LEU CA . 16588 1 178 . 1 1 103 103 LEU CB C 13 43.11 0.05 . 1 . . . . 255 LEU CB . 16588 1 179 . 1 1 103 103 LEU N N 15 122.02 0.05 . 1 . . . . 255 LEU N . 16588 1 180 . 1 1 104 104 GLU H H 1 8.07 0.02 . 1 . . . . 256 GLU H . 16588 1 181 . 1 1 104 104 GLU C C 13 176.81 0.05 . 1 . . . . 256 GLU C . 16588 1 182 . 1 1 104 104 GLU CA C 13 53.11 0.05 . 1 . . . . 256 GLU CA . 16588 1 183 . 1 1 104 104 GLU CB C 13 31.84 0.05 . 1 . . . . 256 GLU CB . 16588 1 184 . 1 1 104 104 GLU N N 15 120.05 0.05 . 1 . . . . 256 GLU N . 16588 1 185 . 1 1 105 105 THR H H 1 8.45 0.02 . 1 . . . . 257 THR H . 16588 1 186 . 1 1 105 105 THR C C 13 175.92 0.05 . 1 . . . . 257 THR C . 16588 1 187 . 1 1 105 105 THR CA C 13 64.47 0.05 . 1 . . . . 257 THR CA . 16588 1 188 . 1 1 105 105 THR CB C 13 68.19 0.05 . 1 . . . . 257 THR CB . 16588 1 189 . 1 1 105 105 THR N N 15 114.29 0.05 . 1 . . . . 257 THR N . 16588 1 190 . 1 1 106 106 LYS H H 1 9.05 0.02 . 1 . . . . 258 LYS H . 16588 1 191 . 1 1 106 106 LYS C C 13 175.39 0.05 . 1 . . . . 258 LYS C . 16588 1 192 . 1 1 106 106 LYS CA C 13 58.02 0.05 . 1 . . . . 258 LYS CA . 16588 1 193 . 1 1 106 106 LYS CB C 13 28.95 0.05 . 1 . . . . 258 LYS CB . 16588 1 194 . 1 1 106 106 LYS N N 15 116.33 0.05 . 1 . . . . 258 LYS N . 16588 1 195 . 1 1 107 107 GLU H H 1 8.19 0.02 . 1 . . . . 259 GLU H . 16588 1 196 . 1 1 107 107 GLU C C 13 175.68 0.05 . 1 . . . . 259 GLU C . 16588 1 197 . 1 1 107 107 GLU CA C 13 56.56 0.05 . 1 . . . . 259 GLU CA . 16588 1 198 . 1 1 107 107 GLU CB C 13 30.47 0.05 . 1 . . . . 259 GLU CB . 16588 1 199 . 1 1 107 107 GLU N N 15 121.94 0.05 . 1 . . . . 259 GLU N . 16588 1 200 . 1 1 108 108 LYS H H 1 8.45 0.02 . 1 . . . . 260 LYS H . 16588 1 201 . 1 1 108 108 LYS C C 13 175.82 0.05 . 1 . . . . 260 LYS C . 16588 1 202 . 1 1 108 108 LYS CA C 13 55.43 0.05 . 1 . . . . 260 LYS CA . 16588 1 203 . 1 1 108 108 LYS CB C 13 33.30 0.05 . 1 . . . . 260 LYS CB . 16588 1 204 . 1 1 108 108 LYS N N 15 127.63 0.05 . 1 . . . . 260 LYS N . 16588 1 205 . 1 1 109 109 PHE H H 1 8.95 0.02 . 1 . . . . 261 PHE H . 16588 1 206 . 1 1 109 109 PHE C C 13 172.00 0.05 . 1 . . . . 261 PHE C . 16588 1 207 . 1 1 109 109 PHE CA C 13 55.98 0.05 . 1 . . . . 261 PHE CA . 16588 1 208 . 1 1 109 109 PHE CB C 13 41.03 0.05 . 1 . . . . 261 PHE CB . 16588 1 209 . 1 1 109 109 PHE N N 15 117.23 0.05 . 1 . . . . 261 PHE N . 16588 1 210 . 1 1 110 110 GLU H H 1 8.44 0.02 . 1 . . . . 262 GLU H . 16588 1 211 . 1 1 110 110 GLU C C 13 175.65 0.05 . 1 . . . . 262 GLU C . 16588 1 212 . 1 1 110 110 GLU CA C 13 53.24 0.05 . 1 . . . . 262 GLU CA . 16588 1 213 . 1 1 110 110 GLU CB C 13 33.31 0.05 . 1 . . . . 262 GLU CB . 16588 1 214 . 1 1 110 110 GLU N N 15 117.00 0.05 . 1 . . . . 262 GLU N . 16588 1 215 . 1 1 111 111 LEU H H 1 8.80 0.02 . 1 . . . . 263 LEU H . 16588 1 216 . 1 1 111 111 LEU C C 13 177.17 0.05 . 1 . . . . 263 LEU C . 16588 1 217 . 1 1 111 111 LEU CA C 13 52.03 0.05 . 1 . . . . 263 LEU CA . 16588 1 218 . 1 1 111 111 LEU CB C 13 45.87 0.05 . 1 . . . . 263 LEU CB . 16588 1 219 . 1 1 111 111 LEU N N 15 120.83 0.05 . 1 . . . . 263 LEU N . 16588 1 220 . 1 1 112 112 PHE H H 1 7.72 0.02 . 1 . . . . 264 PHE H . 16588 1 221 . 1 1 112 112 PHE C C 13 177.88 0.05 . 1 . . . . 264 PHE C . 16588 1 222 . 1 1 112 112 PHE CA C 13 56.16 0.05 . 1 . . . . 264 PHE CA . 16588 1 223 . 1 1 112 112 PHE CB C 13 34.55 0.05 . 1 . . . . 264 PHE CB . 16588 1 224 . 1 1 112 112 PHE N N 15 114.93 0.05 . 1 . . . . 264 PHE N . 16588 1 225 . 1 1 113 113 GLY H H 1 8.18 0.02 . 1 . . . . 265 GLY H . 16588 1 226 . 1 1 113 113 GLY C C 13 175.48 0.05 . 1 . . . . 265 GLY C . 16588 1 227 . 1 1 113 113 GLY CA C 13 45.97 0.05 . 1 . . . . 265 GLY CA . 16588 1 228 . 1 1 113 113 GLY N N 15 110.34 0.05 . 1 . . . . 265 GLY N . 16588 1 229 . 1 1 114 114 GLY H H 1 7.41 0.02 . 1 . . . . 266 GLY H . 16588 1 230 . 1 1 114 114 GLY C C 13 173.16 0.05 . 1 . . . . 266 GLY C . 16588 1 231 . 1 1 114 114 GLY CA C 13 44.15 0.05 . 1 . . . . 266 GLY CA . 16588 1 232 . 1 1 114 114 GLY N N 15 105.40 0.05 . 1 . . . . 266 GLY N . 16588 1 233 . 1 1 115 115 ASN H H 1 7.28 0.02 . 1 . . . . 267 ASN H . 16588 1 234 . 1 1 115 115 ASN C C 13 174.44 0.05 . 1 . . . . 267 ASN C . 16588 1 235 . 1 1 115 115 ASN CA C 13 55.37 0.05 . 1 . . . . 267 ASN CA . 16588 1 236 . 1 1 115 115 ASN CB C 13 39.50 0.05 . 1 . . . . 267 ASN CB . 16588 1 237 . 1 1 115 115 ASN N N 15 116.55 0.05 . 1 . . . . 267 ASN N . 16588 1 238 . 1 1 116 116 VAL H H 1 7.66 0.02 . 1 . . . . 268 VAL H . 16588 1 239 . 1 1 116 116 VAL C C 13 173.97 0.05 . 1 . . . . 268 VAL C . 16588 1 240 . 1 1 116 116 VAL CA C 13 60.09 0.05 . 1 . . . . 268 VAL CA . 16588 1 241 . 1 1 116 116 VAL CB C 13 33.89 0.05 . 1 . . . . 268 VAL CB . 16588 1 242 . 1 1 116 116 VAL N N 15 115.64 0.05 . 1 . . . . 268 VAL N . 16588 1 243 . 1 1 117 117 ILE H H 1 8.09 0.02 . 1 . . . . 269 ILE H . 16588 1 244 . 1 1 117 117 ILE C C 13 175.81 0.05 . 1 . . . . 269 ILE C . 16588 1 245 . 1 1 117 117 ILE CA C 13 60.38 0.05 . 1 . . . . 269 ILE CA . 16588 1 246 . 1 1 117 117 ILE CB C 13 39.08 0.05 . 1 . . . . 269 ILE CB . 16588 1 247 . 1 1 117 117 ILE N N 15 126.36 0.05 . 1 . . . . 269 ILE N . 16588 1 248 . 1 1 118 118 SER H H 1 8.62 0.02 . 1 . . . . 270 SER H . 16588 1 249 . 1 1 118 118 SER C C 13 170.56 0.05 . 1 . . . . 270 SER C . 16588 1 250 . 1 1 118 118 SER CA C 13 54.52 0.05 . 1 . . . . 270 SER CA . 16588 1 251 . 1 1 118 118 SER CB C 13 66.17 0.05 . 1 . . . . 270 SER CB . 16588 1 252 . 1 1 118 118 SER N N 15 123.68 0.05 . 1 . . . . 270 SER N . 16588 1 253 . 1 1 119 119 GLU H H 1 7.68 0.02 . 1 . . . . 271 GLU H . 16588 1 254 . 1 1 119 119 GLU C C 13 176.14 0.05 . 1 . . . . 271 GLU C . 16588 1 255 . 1 1 119 119 GLU CA C 13 54.66 0.05 . 1 . . . . 271 GLU CA . 16588 1 256 . 1 1 119 119 GLU CB C 13 34.11 0.05 . 1 . . . . 271 GLU CB . 16588 1 257 . 1 1 119 119 GLU N N 15 119.61 0.05 . 1 . . . . 271 GLU N . 16588 1 258 . 1 1 120 120 LEU H H 1 8.98 0.02 . 1 . . . . 272 LEU H . 16588 1 259 . 1 1 120 120 LEU C C 13 175.02 0.05 . 1 . . . . 272 LEU C . 16588 1 260 . 1 1 120 120 LEU CA C 13 55.04 0.05 . 1 . . . . 272 LEU CA . 16588 1 261 . 1 1 120 120 LEU CB C 13 40.54 0.05 . 1 . . . . 272 LEU CB . 16588 1 262 . 1 1 120 120 LEU N N 15 128.03 0.05 . 1 . . . . 272 LEU N . 16588 1 263 . 1 1 121 121 VAL H H 1 9.22 0.02 . 1 . . . . 273 VAL H . 16588 1 264 . 1 1 121 121 VAL C C 13 176.00 0.05 . 1 . . . . 273 VAL C . 16588 1 265 . 1 1 121 121 VAL CA C 13 63.69 0.05 . 1 . . . . 273 VAL CA . 16588 1 266 . 1 1 121 121 VAL CB C 13 32.18 0.05 . 1 . . . . 273 VAL CB . 16588 1 267 . 1 1 121 121 VAL N N 15 129.88 0.05 . 1 . . . . 273 VAL N . 16588 1 268 . 1 1 122 122 SER H H 1 7.40 0.02 . 1 . . . . 274 SER H . 16588 1 269 . 1 1 122 122 SER C C 13 171.19 0.05 . 1 . . . . 274 SER C . 16588 1 270 . 1 1 122 122 SER CA C 13 57.06 0.05 . 1 . . . . 274 SER CA . 16588 1 271 . 1 1 122 122 SER CB C 13 64.38 0.05 . 1 . . . . 274 SER CB . 16588 1 272 . 1 1 122 122 SER N N 15 109.89 0.05 . 1 . . . . 274 SER N . 16588 1 273 . 1 1 123 123 CYS H H 1 8.47 0.02 . 1 . . . . 275 CYS H . 16588 1 274 . 1 1 123 123 CYS C C 13 172.56 0.05 . 1 . . . . 275 CYS C . 16588 1 275 . 1 1 123 123 CYS CA C 13 55.16 0.05 . 1 . . . . 275 CYS CA . 16588 1 276 . 1 1 123 123 CYS CB C 13 31.44 0.05 . 1 . . . . 275 CYS CB . 16588 1 277 . 1 1 123 123 CYS N N 15 114.93 0.05 . 1 . . . . 275 CYS N . 16588 1 278 . 1 1 124 124 GLU H H 1 8.88 0.02 . 1 . . . . 276 GLU H . 16588 1 279 . 1 1 124 124 GLU C C 13 175.01 0.05 . 1 . . . . 276 GLU C . 16588 1 280 . 1 1 124 124 GLU CA C 13 55.44 0.05 . 1 . . . . 276 GLU CA . 16588 1 281 . 1 1 124 124 GLU CB C 13 31.54 0.05 . 1 . . . . 276 GLU CB . 16588 1 282 . 1 1 124 124 GLU N N 15 123.10 0.05 . 1 . . . . 276 GLU N . 16588 1 283 . 1 1 125 125 LYS H H 1 8.35 0.02 . 1 . . . . 277 LYS H . 16588 1 284 . 1 1 125 125 LYS C C 13 174.60 0.05 . 1 . . . . 277 LYS C . 16588 1 285 . 1 1 125 125 LYS CA C 13 58.28 0.05 . 1 . . . . 277 LYS CA . 16588 1 286 . 1 1 125 125 LYS CB C 13 31.78 0.05 . 1 . . . . 277 LYS CB . 16588 1 287 . 1 1 125 125 LYS N N 15 127.86 0.05 . 1 . . . . 277 LYS N . 16588 1 288 . 1 1 126 126 ASP C C 13 173.20 0.05 . 1 . . . . 278 ASP C . 16588 1 289 . 1 1 126 126 ASP CA C 13 57.73 0.05 . 1 . . . . 278 ASP CA . 16588 1 290 . 1 1 126 126 ASP CB C 13 38.70 0.05 . 1 . . . . 278 ASP CB . 16588 1 291 . 1 1 127 127 LYS H H 1 7.92 0.02 . 1 . . . . 279 LYS H . 16588 1 292 . 1 1 127 127 LYS C C 13 176.70 0.05 . 1 . . . . 279 LYS C . 16588 1 293 . 1 1 127 127 LYS CA C 13 57.58 0.05 . 1 . . . . 279 LYS CA . 16588 1 294 . 1 1 127 127 LYS CB C 13 35.83 0.05 . 1 . . . . 279 LYS CB . 16588 1 295 . 1 1 127 127 LYS N N 15 115.86 0.05 . 1 . . . . 279 LYS N . 16588 1 296 . 1 1 128 128 LYS H H 1 8.62 0.02 . 1 . . . . 280 LYS H . 16588 1 297 . 1 1 128 128 LYS C C 13 174.77 0.05 . 1 . . . . 280 LYS C . 16588 1 298 . 1 1 128 128 LYS CA C 13 55.55 0.05 . 1 . . . . 280 LYS CA . 16588 1 299 . 1 1 128 128 LYS CB C 13 35.98 0.05 . 1 . . . . 280 LYS CB . 16588 1 300 . 1 1 128 128 LYS N N 15 120.57 0.05 . 1 . . . . 280 LYS N . 16588 1 301 . 1 1 129 129 LEU H H 1 9.10 0.02 . 1 . . . . 281 LEU H . 16588 1 302 . 1 1 129 129 LEU C C 13 174.65 0.05 . 1 . . . . 281 LEU C . 16588 1 303 . 1 1 129 129 LEU CA C 13 53.87 0.05 . 1 . . . . 281 LEU CA . 16588 1 304 . 1 1 129 129 LEU CB C 13 47.15 0.05 . 1 . . . . 281 LEU CB . 16588 1 305 . 1 1 129 129 LEU N N 15 125.08 0.05 . 1 . . . . 281 LEU N . 16588 1 306 . 1 1 130 130 VAL H H 1 7.93 0.02 . 1 . . . . 282 VAL H . 16588 1 307 . 1 1 130 130 VAL C C 13 175.13 0.05 . 1 . . . . 282 VAL C . 16588 1 308 . 1 1 130 130 VAL CA C 13 60.38 0.05 . 1 . . . . 282 VAL CA . 16588 1 309 . 1 1 130 130 VAL CB C 13 33.09 0.05 . 1 . . . . 282 VAL CB . 16588 1 310 . 1 1 130 130 VAL N N 15 119.86 0.05 . 1 . . . . 282 VAL N . 16588 1 311 . 1 1 131 131 PHE H H 1 9.25 0.02 . 1 . . . . 283 PHE H . 16588 1 312 . 1 1 131 131 PHE C C 13 177.43 0.05 . 1 . . . . 283 PHE C . 16588 1 313 . 1 1 131 131 PHE CA C 13 55.91 0.05 . 1 . . . . 283 PHE CA . 16588 1 314 . 1 1 131 131 PHE CB C 13 42.79 0.05 . 1 . . . . 283 PHE CB . 16588 1 315 . 1 1 131 131 PHE N N 15 123.21 0.05 . 1 . . . . 283 PHE N . 16588 1 316 . 1 1 132 132 HIS H H 1 9.14 0.02 . 1 . . . . 284 HIS H . 16588 1 317 . 1 1 132 132 HIS C C 13 176.43 0.05 . 1 . . . . 284 HIS C . 16588 1 318 . 1 1 132 132 HIS CA C 13 54.80 0.05 . 1 . . . . 284 HIS CA . 16588 1 319 . 1 1 132 132 HIS CB C 13 30.72 0.05 . 1 . . . . 284 HIS CB . 16588 1 320 . 1 1 132 132 HIS N N 15 118.58 0.05 . 1 . . . . 284 HIS N . 16588 1 321 . 1 1 133 133 TRP H H 1 9.26 0.02 . 1 . . . . 285 TRP H . 16588 1 322 . 1 1 133 133 TRP C C 13 175.12 0.05 . 1 . . . . 285 TRP C . 16588 1 323 . 1 1 133 133 TRP CA C 13 59.58 0.05 . 1 . . . . 285 TRP CA . 16588 1 324 . 1 1 133 133 TRP CB C 13 34.91 0.05 . 1 . . . . 285 TRP CB . 16588 1 325 . 1 1 133 133 TRP N N 15 126.43 0.05 . 1 . . . . 285 TRP N . 16588 1 326 . 1 1 134 134 LYS H H 1 8.71 0.02 . 1 . . . . 286 LYS H . 16588 1 327 . 1 1 134 134 LYS C C 13 172.68 0.05 . 1 . . . . 286 LYS C . 16588 1 328 . 1 1 134 134 LYS CA C 13 55.24 0.05 . 1 . . . . 286 LYS CA . 16588 1 329 . 1 1 134 134 LYS CB C 13 35.11 0.05 . 1 . . . . 286 LYS CB . 16588 1 330 . 1 1 134 134 LYS N N 15 129.88 0.05 . 1 . . . . 286 LYS N . 16588 1 331 . 1 1 135 135 LEU C C 13 179.40 0.05 . 1 . . . . 287 LEU C . 16588 1 332 . 1 1 135 135 LEU CA C 13 52.54 0.05 . 1 . . . . 287 LEU CA . 16588 1 333 . 1 1 135 135 LEU CB C 13 41.09 0.05 . 1 . . . . 287 LEU CB . 16588 1 334 . 1 1 136 136 LYS H H 1 8.32 0.02 . 1 . . . . 288 LYS H . 16588 1 335 . 1 1 136 136 LYS C C 13 176.00 0.05 . 1 . . . . 288 LYS C . 16588 1 336 . 1 1 136 136 LYS CA C 13 58.70 0.05 . 1 . . . . 288 LYS CA . 16588 1 337 . 1 1 136 136 LYS CB C 13 31.31 0.05 . 1 . . . . 288 LYS CB . 16588 1 338 . 1 1 136 136 LYS N N 15 122.15 0.05 . 1 . . . . 288 LYS N . 16588 1 339 . 1 1 137 137 ASP H H 1 7.85 0.02 . 1 . . . . 289 ASP H . 16588 1 340 . 1 1 137 137 ASP C C 13 176.86 0.05 . 1 . . . . 289 ASP C . 16588 1 341 . 1 1 137 137 ASP CA C 13 53.35 0.05 . 1 . . . . 289 ASP CA . 16588 1 342 . 1 1 137 137 ASP CB C 13 40.06 0.05 . 1 . . . . 289 ASP CB . 16588 1 343 . 1 1 137 137 ASP N N 15 112.02 0.05 . 1 . . . . 289 ASP N . 16588 1 344 . 1 1 138 138 TRP H H 1 7.58 0.02 . 1 . . . . 290 TRP H . 16588 1 345 . 1 1 138 138 TRP C C 13 177.26 0.05 . 1 . . . . 290 TRP C . 16588 1 346 . 1 1 138 138 TRP CA C 13 55.05 0.05 . 1 . . . . 290 TRP CA . 16588 1 347 . 1 1 138 138 TRP CB C 13 29.23 0.05 . 1 . . . . 290 TRP CB . 16588 1 348 . 1 1 138 138 TRP N N 15 120.40 0.05 . 1 . . . . 290 TRP N . 16588 1 349 . 1 1 139 139 SER H H 1 9.05 0.02 . 1 . . . . 291 SER H . 16588 1 350 . 1 1 139 139 SER C C 13 174.45 0.05 . 1 . . . . 291 SER C . 16588 1 351 . 1 1 139 139 SER CA C 13 57.91 0.05 . 1 . . . . 291 SER CA . 16588 1 352 . 1 1 139 139 SER CB C 13 64.01 0.05 . 1 . . . . 291 SER CB . 16588 1 353 . 1 1 139 139 SER N N 15 119.71 0.05 . 1 . . . . 291 SER N . 16588 1 354 . 1 1 140 140 ALA H H 1 8.66 0.02 . 1 . . . . 292 ALA H . 16588 1 355 . 1 1 140 140 ALA C C 13 176.73 0.05 . 1 . . . . 292 ALA C . 16588 1 356 . 1 1 140 140 ALA CA C 13 51.21 0.05 . 1 . . . . 292 ALA CA . 16588 1 357 . 1 1 140 140 ALA CB C 13 16.48 0.05 . 1 . . . . 292 ALA CB . 16588 1 358 . 1 1 140 140 ALA N N 15 126.68 0.05 . 1 . . . . 292 ALA N . 16588 1 359 . 1 1 141 141 PRO CA C 13 64.40 0.05 . 1 . . . . 293 PRO CA . 16588 1 360 . 1 1 141 141 PRO CB C 13 30.75 0.05 . 1 . . . . 293 PRO CB . 16588 1 361 . 1 1 142 142 PHE H H 1 7.57 0.02 . 1 . . . . 294 PHE H . 16588 1 362 . 1 1 142 142 PHE C C 13 177.40 0.05 . 1 . . . . 294 PHE C . 16588 1 363 . 1 1 142 142 PHE CA C 13 57.33 0.05 . 1 . . . . 294 PHE CA . 16588 1 364 . 1 1 142 142 PHE CB C 13 39.98 0.05 . 1 . . . . 294 PHE CB . 16588 1 365 . 1 1 142 142 PHE N N 15 115.79 0.05 . 1 . . . . 294 PHE N . 16588 1 366 . 1 1 143 143 ASN H H 1 8.79 0.02 . 1 . . . . 295 ASN H . 16588 1 367 . 1 1 143 143 ASN C C 13 174.79 0.05 . 1 . . . . 295 ASN C . 16588 1 368 . 1 1 143 143 ASN CA C 13 54.47 0.05 . 1 . . . . 295 ASN CA . 16588 1 369 . 1 1 143 143 ASN CB C 13 37.77 0.05 . 1 . . . . 295 ASN CB . 16588 1 370 . 1 1 143 143 ASN N N 15 120.40 0.05 . 1 . . . . 295 ASN N . 16588 1 371 . 1 1 144 144 SER H H 1 8.92 0.02 . 1 . . . . 296 SER H . 16588 1 372 . 1 1 144 144 SER C C 13 173.28 0.05 . 1 . . . . 296 SER C . 16588 1 373 . 1 1 144 144 SER CA C 13 59.40 0.05 . 1 . . . . 296 SER CA . 16588 1 374 . 1 1 144 144 SER CB C 13 67.10 0.05 . 1 . . . . 296 SER CB . 16588 1 375 . 1 1 144 144 SER N N 15 123.66 0.05 . 1 . . . . 296 SER N . 16588 1 376 . 1 1 145 145 THR H H 1 9.23 0.02 . 1 . . . . 297 THR H . 16588 1 377 . 1 1 145 145 THR C C 13 172.10 0.05 . 1 . . . . 297 THR C . 16588 1 378 . 1 1 145 145 THR CA C 13 62.67 0.05 . 1 . . . . 297 THR CA . 16588 1 379 . 1 1 145 145 THR CB C 13 70.58 0.05 . 1 . . . . 297 THR CB . 16588 1 380 . 1 1 145 145 THR N N 15 116.80 0.05 . 1 . . . . 297 THR N . 16588 1 381 . 1 1 146 146 ILE H H 1 9.42 0.02 . 1 . . . . 298 ILE H . 16588 1 382 . 1 1 146 146 ILE C C 13 174.06 0.05 . 1 . . . . 298 ILE C . 16588 1 383 . 1 1 146 146 ILE CA C 13 59.86 0.05 . 1 . . . . 298 ILE CA . 16588 1 384 . 1 1 146 146 ILE CB C 13 39.45 0.05 . 1 . . . . 298 ILE CB . 16588 1 385 . 1 1 146 146 ILE N N 15 126.05 0.05 . 1 . . . . 298 ILE N . 16588 1 386 . 1 1 147 147 GLU H H 1 8.91 0.02 . 1 . . . . 299 GLU H . 16588 1 387 . 1 1 147 147 GLU C C 13 175.03 0.05 . 1 . . . . 299 GLU C . 16588 1 388 . 1 1 147 147 GLU CA C 13 54.52 0.05 . 1 . . . . 299 GLU CA . 16588 1 389 . 1 1 147 147 GLU CB C 13 31.05 0.05 . 1 . . . . 299 GLU CB . 16588 1 390 . 1 1 147 147 GLU N N 15 127.11 0.05 . 1 . . . . 299 GLU N . 16588 1 391 . 1 1 148 148 MET H H 1 9.53 0.02 . 1 . . . . 300 MET H . 16588 1 392 . 1 1 148 148 MET C C 13 174.87 0.05 . 1 . . . . 300 MET C . 16588 1 393 . 1 1 148 148 MET CA C 13 53.82 0.05 . 1 . . . . 300 MET CA . 16588 1 394 . 1 1 148 148 MET CB C 13 34.36 0.05 . 1 . . . . 300 MET CB . 16588 1 395 . 1 1 148 148 MET N N 15 126.02 0.05 . 1 . . . . 300 MET N . 16588 1 396 . 1 1 149 149 THR H H 1 9.03 0.02 . 1 . . . . 301 THR H . 16588 1 397 . 1 1 149 149 THR C C 13 173.13 0.05 . 1 . . . . 301 THR C . 16588 1 398 . 1 1 149 149 THR CA C 13 60.52 0.05 . 1 . . . . 301 THR CA . 16588 1 399 . 1 1 149 149 THR CB C 13 70.04 0.05 . 1 . . . . 301 THR CB . 16588 1 400 . 1 1 149 149 THR N N 15 116.63 0.05 . 1 . . . . 301 THR N . 16588 1 401 . 1 1 150 150 PHE H H 1 9.02 0.02 . 1 . . . . 302 PHE H . 16588 1 402 . 1 1 150 150 PHE C C 13 175.21 0.05 . 1 . . . . 302 PHE C . 16588 1 403 . 1 1 150 150 PHE CA C 13 55.96 0.05 . 1 . . . . 302 PHE CA . 16588 1 404 . 1 1 150 150 PHE CB C 13 43.86 0.05 . 1 . . . . 302 PHE CB . 16588 1 405 . 1 1 150 150 PHE N N 15 119.29 0.05 . 1 . . . . 302 PHE N . 16588 1 406 . 1 1 151 151 HIS H H 1 8.76 0.02 . 1 . . . . 303 HIS H . 16588 1 407 . 1 1 151 151 HIS C C 13 173.13 0.05 . 1 . . . . 303 HIS C . 16588 1 408 . 1 1 151 151 HIS CA C 13 52.78 0.05 . 1 . . . . 303 HIS CA . 16588 1 409 . 1 1 151 151 HIS CB C 13 37.05 0.05 . 1 . . . . 303 HIS CB . 16588 1 410 . 1 1 151 151 HIS N N 15 125.20 0.05 . 1 . . . . 303 HIS N . 16588 1 411 . 1 1 152 152 GLU H H 1 7.28 0.02 . 1 . . . . 304 GLU H . 16588 1 412 . 1 1 152 152 GLU C C 13 171.57 0.05 . 1 . . . . 304 GLU C . 16588 1 413 . 1 1 152 152 GLU CA C 13 57.98 0.05 . 1 . . . . 304 GLU CA . 16588 1 414 . 1 1 152 152 GLU CB C 13 32.98 0.05 . 1 . . . . 304 GLU CB . 16588 1 415 . 1 1 152 152 GLU N N 15 117.19 0.05 . 1 . . . . 304 GLU N . 16588 1 416 . 1 1 154 154 GLN C C 13 177.19 0.05 . 1 . . . . 306 GLN C . 16588 1 417 . 1 1 154 154 GLN CA C 13 57.62 0.05 . 1 . . . . 306 GLN CA . 16588 1 418 . 1 1 154 154 GLN CB C 13 27.76 0.05 . 1 . . . . 306 GLN CB . 16588 1 419 . 1 1 155 155 GLU H H 1 8.39 0.02 . 1 . . . . 307 GLU H . 16588 1 420 . 1 1 155 155 GLU C C 13 176.53 0.05 . 1 . . . . 307 GLU C . 16588 1 421 . 1 1 155 155 GLU CA C 13 57.70 0.05 . 1 . . . . 307 GLU CA . 16588 1 422 . 1 1 155 155 GLU CB C 13 28.98 0.05 . 1 . . . . 307 GLU CB . 16588 1 423 . 1 1 155 155 GLU N N 15 118.58 0.05 . 1 . . . . 307 GLU N . 16588 1 424 . 1 1 156 156 PHE H H 1 7.49 0.02 . 1 . . . . 308 PHE H . 16588 1 425 . 1 1 156 156 PHE C C 13 174.91 0.05 . 1 . . . . 308 PHE C . 16588 1 426 . 1 1 156 156 PHE CA C 13 56.54 0.05 . 1 . . . . 308 PHE CA . 16588 1 427 . 1 1 156 156 PHE CB C 13 38.89 0.05 . 1 . . . . 308 PHE CB . 16588 1 428 . 1 1 156 156 PHE N N 15 114.68 0.05 . 1 . . . . 308 PHE N . 16588 1 429 . 1 1 157 157 HIS H H 1 7.83 0.02 . 1 . . . . 309 HIS H . 16588 1 430 . 1 1 157 157 HIS C C 13 173.39 0.05 . 1 . . . . 309 HIS C . 16588 1 431 . 1 1 157 157 HIS CA C 13 55.98 0.05 . 1 . . . . 309 HIS CA . 16588 1 432 . 1 1 157 157 HIS CB C 13 26.92 0.05 . 1 . . . . 309 HIS CB . 16588 1 433 . 1 1 157 157 HIS N N 15 117.35 0.05 . 1 . . . . 309 HIS N . 16588 1 434 . 1 1 158 158 GLU H H 1 7.51 0.02 . 1 . . . . 310 GLU H . 16588 1 435 . 1 1 158 158 GLU C C 13 175.23 0.05 . 1 . . . . 310 GLU C . 16588 1 436 . 1 1 158 158 GLU CA C 13 54.52 0.05 . 1 . . . . 310 GLU CA . 16588 1 437 . 1 1 158 158 GLU CB C 13 32.93 0.05 . 1 . . . . 310 GLU CB . 16588 1 438 . 1 1 158 158 GLU N N 15 116.30 0.05 . 1 . . . . 310 GLU N . 16588 1 439 . 1 1 159 159 THR H H 1 9.20 0.02 . 1 . . . . 311 THR H . 16588 1 440 . 1 1 159 159 THR C C 13 173.33 0.05 . 1 . . . . 311 THR C . 16588 1 441 . 1 1 159 159 THR CA C 13 62.72 0.05 . 1 . . . . 311 THR CA . 16588 1 442 . 1 1 159 159 THR CB C 13 70.44 0.05 . 1 . . . . 311 THR CB . 16588 1 443 . 1 1 159 159 THR N N 15 120.12 0.05 . 1 . . . . 311 THR N . 16588 1 444 . 1 1 160 160 LYS H H 1 9.00 0.02 . 1 . . . . 312 LYS H . 16588 1 445 . 1 1 160 160 LYS C C 13 173.87 0.05 . 1 . . . . 312 LYS C . 16588 1 446 . 1 1 160 160 LYS CA C 13 54.76 0.05 . 1 . . . . 312 LYS CA . 16588 1 447 . 1 1 160 160 LYS CB C 13 33.37 0.05 . 1 . . . . 312 LYS CB . 16588 1 448 . 1 1 160 160 LYS N N 15 128.47 0.05 . 1 . . . . 312 LYS N . 16588 1 449 . 1 1 161 161 LEU H H 1 8.62 0.02 . 1 . . . . 313 LEU H . 16588 1 450 . 1 1 161 161 LEU C C 13 174.44 0.05 . 1 . . . . 313 LEU C . 16588 1 451 . 1 1 161 161 LEU CA C 13 51.77 0.05 . 1 . . . . 313 LEU CA . 16588 1 452 . 1 1 161 161 LEU CB C 13 43.69 0.05 . 1 . . . . 313 LEU CB . 16588 1 453 . 1 1 161 161 LEU N N 15 129.04 0.05 . 1 . . . . 313 LEU N . 16588 1 454 . 1 1 162 162 GLN H H 1 8.63 0.02 . 1 . . . . 314 GLN H . 16588 1 455 . 1 1 162 162 GLN C C 13 175.75 0.05 . 1 . . . . 314 GLN C . 16588 1 456 . 1 1 162 162 GLN CA C 13 55.47 0.05 . 1 . . . . 314 GLN CA . 16588 1 457 . 1 1 162 162 GLN CB C 13 28.07 0.05 . 1 . . . . 314 GLN CB . 16588 1 458 . 1 1 162 162 GLN N N 15 122.30 0.05 . 1 . . . . 314 GLN N . 16588 1 459 . 1 1 163 163 VAL H H 1 8.93 0.02 . 1 . . . . 315 VAL H . 16588 1 460 . 1 1 163 163 VAL C C 13 173.78 0.05 . 1 . . . . 315 VAL C . 16588 1 461 . 1 1 163 163 VAL CA C 13 61.23 0.05 . 1 . . . . 315 VAL CA . 16588 1 462 . 1 1 163 163 VAL CB C 13 32.17 0.05 . 1 . . . . 315 VAL CB . 16588 1 463 . 1 1 163 163 VAL N N 15 126.69 0.05 . 1 . . . . 315 VAL N . 16588 1 464 . 1 1 164 164 LYS H H 1 8.69 0.02 . 1 . . . . 316 LYS H . 16588 1 465 . 1 1 164 164 LYS C C 13 174.37 0.05 . 1 . . . . 316 LYS C . 16588 1 466 . 1 1 164 164 LYS CA C 13 55.19 0.05 . 1 . . . . 316 LYS CA . 16588 1 467 . 1 1 164 164 LYS CB C 13 33.69 0.05 . 1 . . . . 316 LYS CB . 16588 1 468 . 1 1 164 164 LYS N N 15 127.44 0.05 . 1 . . . . 316 LYS N . 16588 1 469 . 1 1 165 165 TRP H H 1 8.77 0.02 . 1 . . . . 317 TRP H . 16588 1 470 . 1 1 165 165 TRP C C 13 175.33 0.05 . 1 . . . . 317 TRP C . 16588 1 471 . 1 1 165 165 TRP CA C 13 54.19 0.05 . 1 . . . . 317 TRP CA . 16588 1 472 . 1 1 165 165 TRP CB C 13 32.11 0.05 . 1 . . . . 317 TRP CB . 16588 1 473 . 1 1 165 165 TRP N N 15 134.92 0.05 . 1 . . . . 317 TRP N . 16588 1 474 . 1 1 166 166 THR H H 1 9.54 0.02 . 1 . . . . 318 THR H . 16588 1 475 . 1 1 166 166 THR C C 13 175.31 0.05 . 1 . . . . 318 THR C . 16588 1 476 . 1 1 166 166 THR CA C 13 59.64 0.05 . 1 . . . . 318 THR CA . 16588 1 477 . 1 1 166 166 THR CB C 13 71.59 0.05 . 1 . . . . 318 THR CB . 16588 1 478 . 1 1 166 166 THR N N 15 114.87 0.05 . 1 . . . . 318 THR N . 16588 1 479 . 1 1 167 167 GLY H H 1 8.74 0.02 . 1 . . . . 319 GLY H . 16588 1 480 . 1 1 167 167 GLY C C 13 174.11 0.05 . 1 . . . . 319 GLY C . 16588 1 481 . 1 1 167 167 GLY CA C 13 46.09 0.05 . 1 . . . . 319 GLY CA . 16588 1 482 . 1 1 167 167 GLY N N 15 108.63 0.05 . 1 . . . . 319 GLY N . 16588 1 483 . 1 1 168 168 ILE H H 1 7.93 0.02 . 1 . . . . 320 ILE H . 16588 1 484 . 1 1 168 168 ILE C C 13 174.64 0.05 . 1 . . . . 320 ILE C . 16588 1 485 . 1 1 168 168 ILE CA C 13 58.52 0.05 . 1 . . . . 320 ILE CA . 16588 1 486 . 1 1 168 168 ILE CB C 13 39.57 0.05 . 1 . . . . 320 ILE CB . 16588 1 487 . 1 1 168 168 ILE N N 15 120.48 0.05 . 1 . . . . 320 ILE N . 16588 1 488 . 1 1 169 169 PRO CA C 13 62.28 0.05 . 1 . . . . 321 PRO CA . 16588 1 489 . 1 1 169 169 PRO CB C 13 29.56 0.05 . 1 . . . . 321 PRO CB . 16588 1 490 . 1 1 170 170 VAL H H 1 7.52 0.02 . 1 . . . . 322 VAL H . 16588 1 491 . 1 1 170 170 VAL C C 13 177.00 0.05 . 1 . . . . 322 VAL C . 16588 1 492 . 1 1 170 170 VAL CA C 13 64.72 0.05 . 1 . . . . 322 VAL CA . 16588 1 493 . 1 1 170 170 VAL CB C 13 30.59 0.05 . 1 . . . . 322 VAL CB . 16588 1 494 . 1 1 170 170 VAL N N 15 122.23 0.05 . 1 . . . . 322 VAL N . 16588 1 495 . 1 1 171 171 GLY H H 1 9.09 0.02 . 1 . . . . 323 GLY H . 16588 1 496 . 1 1 171 171 GLY C C 13 175.99 0.05 . 1 . . . . 323 GLY C . 16588 1 497 . 1 1 171 171 GLY CA C 13 44.56 0.05 . 1 . . . . 323 GLY CA . 16588 1 498 . 1 1 171 171 GLY N N 15 117.08 0.05 . 1 . . . . 323 GLY N . 16588 1 499 . 1 1 172 172 GLU H H 1 7.81 0.02 . 1 . . . . 324 GLU H . 16588 1 500 . 1 1 172 172 GLU C C 13 176.58 0.05 . 1 . . . . 324 GLU C . 16588 1 501 . 1 1 172 172 GLU CA C 13 55.36 0.05 . 1 . . . . 324 GLU CA . 16588 1 502 . 1 1 172 172 GLU CB C 13 30.08 0.05 . 1 . . . . 324 GLU CB . 16588 1 503 . 1 1 172 172 GLU N N 15 118.17 0.05 . 1 . . . . 324 GLU N . 16588 1 504 . 1 1 173 173 GLU C C 13 177.60 0.05 . 1 . . . . 325 GLU C . 16588 1 505 . 1 1 173 173 GLU CA C 13 61.07 0.05 . 1 . . . . 325 GLU CA . 16588 1 506 . 1 1 173 173 GLU CB C 13 27.24 0.05 . 1 . . . . 325 GLU CB . 16588 1 507 . 1 1 174 174 ASP H H 1 8.24 0.02 . 1 . . . . 326 ASP H . 16588 1 508 . 1 1 174 174 ASP C C 13 178.62 0.05 . 1 . . . . 326 ASP C . 16588 1 509 . 1 1 174 174 ASP CA C 13 57.11 0.05 . 1 . . . . 326 ASP CA . 16588 1 510 . 1 1 174 174 ASP CB C 13 39.23 0.05 . 1 . . . . 326 ASP CB . 16588 1 511 . 1 1 174 174 ASP N N 15 119.15 0.05 . 1 . . . . 326 ASP N . 16588 1 512 . 1 1 175 175 ARG H H 1 7.95 0.02 . 1 . . . . 327 ARG H . 16588 1 513 . 1 1 175 175 ARG C C 13 179.82 0.05 . 1 . . . . 327 ARG C . 16588 1 514 . 1 1 175 175 ARG CA C 13 58.95 0.05 . 1 . . . . 327 ARG CA . 16588 1 515 . 1 1 175 175 ARG CB C 13 29.59 0.05 . 1 . . . . 327 ARG CB . 16588 1 516 . 1 1 175 175 ARG N N 15 123.52 0.05 . 1 . . . . 327 ARG N . 16588 1 517 . 1 1 176 176 VAL H H 1 8.32 0.02 . 1 . . . . 328 VAL H . 16588 1 518 . 1 1 176 176 VAL C C 13 177.16 0.05 . 1 . . . . 328 VAL C . 16588 1 519 . 1 1 176 176 VAL CA C 13 65.92 0.05 . 1 . . . . 328 VAL CA . 16588 1 520 . 1 1 176 176 VAL CB C 13 29.38 0.05 . 1 . . . . 328 VAL CB . 16588 1 521 . 1 1 176 176 VAL N N 15 117.60 0.05 . 1 . . . . 328 VAL N . 16588 1 522 . 1 1 177 177 ARG H H 1 7.75 0.02 . 1 . . . . 329 ARG H . 16588 1 523 . 1 1 177 177 ARG C C 13 178.18 0.05 . 1 . . . . 329 ARG C . 16588 1 524 . 1 1 177 177 ARG CA C 13 60.05 0.05 . 1 . . . . 329 ARG CA . 16588 1 525 . 1 1 177 177 ARG CB C 13 29.52 0.05 . 1 . . . . 329 ARG CB . 16588 1 526 . 1 1 177 177 ARG N N 15 120.05 0.05 . 1 . . . . 329 ARG N . 16588 1 527 . 1 1 178 178 ALA H H 1 7.94 0.02 . 1 . . . . 330 ALA H . 16588 1 528 . 1 1 178 178 ALA C C 13 180.97 0.05 . 1 . . . . 330 ALA C . 16588 1 529 . 1 1 178 178 ALA CA C 13 54.69 0.05 . 1 . . . . 330 ALA CA . 16588 1 530 . 1 1 178 178 ALA CB C 13 17.54 0.05 . 1 . . . . 330 ALA CB . 16588 1 531 . 1 1 178 178 ALA N N 15 119.23 0.05 . 1 . . . . 330 ALA N . 16588 1 532 . 1 1 179 179 ASN H H 1 8.03 0.02 . 1 . . . . 331 ASN H . 16588 1 533 . 1 1 179 179 ASN C C 13 175.81 0.05 . 1 . . . . 331 ASN C . 16588 1 534 . 1 1 179 179 ASN CA C 13 56.81 0.05 . 1 . . . . 331 ASN CA . 16588 1 535 . 1 1 179 179 ASN CB C 13 39.38 0.05 . 1 . . . . 331 ASN CB . 16588 1 536 . 1 1 179 179 ASN N N 15 117.74 0.05 . 1 . . . . 331 ASN N . 16588 1 537 . 1 1 180 180 PHE H H 1 8.79 0.02 . 1 . . . . 332 PHE H . 16588 1 538 . 1 1 180 180 PHE C C 13 178.87 0.05 . 1 . . . . 332 PHE C . 16588 1 539 . 1 1 180 180 PHE CA C 13 61.41 0.05 . 1 . . . . 332 PHE CA . 16588 1 540 . 1 1 180 180 PHE CB C 13 39.83 0.05 . 1 . . . . 332 PHE CB . 16588 1 541 . 1 1 180 180 PHE N N 15 120.26 0.05 . 1 . . . . 332 PHE N . 16588 1 542 . 1 1 181 181 GLU H H 1 8.94 0.02 . 1 . . . . 333 GLU H . 16588 1 543 . 1 1 181 181 GLU C C 13 177.93 0.05 . 1 . . . . 333 GLU C . 16588 1 544 . 1 1 181 181 GLU CA C 13 59.58 0.05 . 1 . . . . 333 GLU CA . 16588 1 545 . 1 1 181 181 GLU CB C 13 28.71 0.05 . 1 . . . . 333 GLU CB . 16588 1 546 . 1 1 181 181 GLU N N 15 118.49 0.05 . 1 . . . . 333 GLU N . 16588 1 547 . 1 1 182 182 GLU H H 1 7.96 0.02 . 1 . . . . 334 GLU H . 16588 1 548 . 1 1 182 182 GLU C C 13 177.73 0.05 . 1 . . . . 334 GLU C . 16588 1 549 . 1 1 182 182 GLU CA C 13 58.54 0.05 . 1 . . . . 334 GLU CA . 16588 1 550 . 1 1 182 182 GLU CB C 13 29.52 0.05 . 1 . . . . 334 GLU CB . 16588 1 551 . 1 1 182 182 GLU N N 15 117.14 0.05 . 1 . . . . 334 GLU N . 16588 1 552 . 1 1 183 183 TYR H H 1 8.43 0.02 . 1 . . . . 335 TYR H . 16588 1 553 . 1 1 183 183 TYR C C 13 175.81 0.05 . 1 . . . . 335 TYR C . 16588 1 554 . 1 1 183 183 TYR CA C 13 59.61 0.05 . 1 . . . . 335 TYR CA . 16588 1 555 . 1 1 183 183 TYR CB C 13 37.44 0.05 . 1 . . . . 335 TYR CB . 16588 1 556 . 1 1 183 183 TYR N N 15 114.75 0.05 . 1 . . . . 335 TYR N . 16588 1 557 . 1 1 184 184 TYR H H 1 7.67 0.02 . 1 . . . . 336 TYR H . 16588 1 558 . 1 1 184 184 TYR C C 13 175.03 0.05 . 1 . . . . 336 TYR C . 16588 1 559 . 1 1 184 184 TYR CA C 13 57.94 0.05 . 1 . . . . 336 TYR CA . 16588 1 560 . 1 1 184 184 TYR CB C 13 36.83 0.05 . 1 . . . . 336 TYR CB . 16588 1 561 . 1 1 184 184 TYR N N 15 115.58 0.05 . 1 . . . . 336 TYR N . 16588 1 562 . 1 1 185 185 VAL H H 1 7.55 0.02 . 1 . . . . 337 VAL H . 16588 1 563 . 1 1 185 185 VAL C C 13 177.43 0.05 . 1 . . . . 337 VAL C . 16588 1 564 . 1 1 185 185 VAL CA C 13 67.12 0.05 . 1 . . . . 337 VAL CA . 16588 1 565 . 1 1 185 185 VAL CB C 13 30.79 0.05 . 1 . . . . 337 VAL CB . 16588 1 566 . 1 1 185 185 VAL N N 15 115.21 0.05 . 1 . . . . 337 VAL N . 16588 1 567 . 1 1 186 186 ARG H H 1 8.31 0.02 . 1 . . . . 338 ARG H . 16588 1 568 . 1 1 186 186 ARG C C 13 178.51 0.05 . 1 . . . . 338 ARG C . 16588 1 569 . 1 1 186 186 ARG CA C 13 60.10 0.05 . 1 . . . . 338 ARG CA . 16588 1 570 . 1 1 186 186 ARG CB C 13 28.88 0.05 . 1 . . . . 338 ARG CB . 16588 1 571 . 1 1 186 186 ARG N N 15 116.85 0.05 . 1 . . . . 338 ARG N . 16588 1 572 . 1 1 187 187 SER H H 1 6.63 0.02 . 1 . . . . 339 SER H . 16588 1 573 . 1 1 187 187 SER C C 13 178.50 0.05 . 1 . . . . 339 SER C . 16588 1 574 . 1 1 187 187 SER CA C 13 60.72 0.05 . 1 . . . . 339 SER CA . 16588 1 575 . 1 1 187 187 SER CB C 13 63.35 0.05 . 1 . . . . 339 SER CB . 16588 1 576 . 1 1 187 187 SER N N 15 108.90 0.05 . 1 . . . . 339 SER N . 16588 1 577 . 1 1 188 188 ILE H H 1 8.15 0.02 . 1 . . . . 340 ILE H . 16588 1 578 . 1 1 188 188 ILE C C 13 177.80 0.05 . 1 . . . . 340 ILE C . 16588 1 579 . 1 1 188 188 ILE CA C 13 67.08 0.05 . 1 . . . . 340 ILE CA . 16588 1 580 . 1 1 188 188 ILE CB C 13 37.05 0.05 . 1 . . . . 340 ILE CB . 16588 1 581 . 1 1 188 188 ILE N N 15 123.33 0.05 . 1 . . . . 340 ILE N . 16588 1 582 . 1 1 189 189 LYS H H 1 7.97 0.02 . 1 . . . . 341 LYS H . 16588 1 583 . 1 1 189 189 LYS C C 13 179.56 0.05 . 1 . . . . 341 LYS C . 16588 1 584 . 1 1 189 189 LYS CA C 13 62.03 0.05 . 1 . . . . 341 LYS CA . 16588 1 585 . 1 1 189 189 LYS CB C 13 31.73 0.05 . 1 . . . . 341 LYS CB . 16588 1 586 . 1 1 189 189 LYS N N 15 117.24 0.05 . 1 . . . . 341 LYS N . 16588 1 587 . 1 1 190 190 LEU H H 1 8.38 0.02 . 1 . . . . 342 LEU H . 16588 1 588 . 1 1 190 190 LEU C C 13 179.63 0.05 . 1 . . . . 342 LEU C . 16588 1 589 . 1 1 190 190 LEU CA C 13 56.93 0.05 . 1 . . . . 342 LEU CA . 16588 1 590 . 1 1 190 190 LEU CB C 13 41.83 0.05 . 1 . . . . 342 LEU CB . 16588 1 591 . 1 1 190 190 LEU N N 15 117.31 0.05 . 1 . . . . 342 LEU N . 16588 1 592 . 1 1 191 191 THR H H 1 8.40 0.02 . 1 . . . . 343 THR H . 16588 1 593 . 1 1 191 191 THR C C 13 175.25 0.05 . 1 . . . . 343 THR C . 16588 1 594 . 1 1 191 191 THR CA C 13 66.41 0.05 . 1 . . . . 343 THR CA . 16588 1 595 . 1 1 191 191 THR CB C 13 68.48 0.05 . 1 . . . . 343 THR CB . 16588 1 596 . 1 1 191 191 THR N N 15 115.28 0.05 . 1 . . . . 343 THR N . 16588 1 597 . 1 1 192 192 PHE H H 1 7.02 0.02 . 1 . . . . 344 PHE H . 16588 1 598 . 1 1 192 192 PHE C C 13 175.47 0.05 . 1 . . . . 344 PHE C . 16588 1 599 . 1 1 192 192 PHE CA C 13 56.89 0.05 . 1 . . . . 344 PHE CA . 16588 1 600 . 1 1 192 192 PHE CB C 13 38.16 0.05 . 1 . . . . 344 PHE CB . 16588 1 601 . 1 1 192 192 PHE N N 15 114.22 0.05 . 1 . . . . 344 PHE N . 16588 1 602 . 1 1 193 193 GLY H H 1 7.49 0.02 . 1 . . . . 345 GLY H . 16588 1 603 . 1 1 193 193 GLY C C 13 175.92 0.05 . 1 . . . . 345 GLY C . 16588 1 604 . 1 1 193 193 GLY CA C 13 46.44 0.05 . 1 . . . . 345 GLY CA . 16588 1 605 . 1 1 193 193 GLY N N 15 108.88 0.05 . 1 . . . . 345 GLY N . 16588 1 606 . 1 1 194 194 PHE H H 1 7.70 0.02 . 1 . . . . 346 PHE H . 16588 1 607 . 1 1 194 194 PHE C C 13 175.45 0.05 . 1 . . . . 346 PHE C . 16588 1 608 . 1 1 194 194 PHE CA C 13 53.35 0.05 . 1 . . . . 346 PHE CA . 16588 1 609 . 1 1 194 194 PHE CB C 13 38.15 0.05 . 1 . . . . 346 PHE CB . 16588 1 610 . 1 1 194 194 PHE N N 15 117.38 0.05 . 1 . . . . 346 PHE N . 16588 1 611 . 1 1 195 195 GLY H H 1 7.96 0.02 . 1 . . . . 347 GLY H . 16588 1 612 . 1 1 195 195 GLY C C 13 172.15 0.05 . 1 . . . . 347 GLY C . 16588 1 613 . 1 1 195 195 GLY CA C 13 44.69 0.05 . 1 . . . . 347 GLY CA . 16588 1 614 . 1 1 195 195 GLY N N 15 109.43 0.05 . 1 . . . . 347 GLY N . 16588 1 615 . 1 1 196 196 ALA H H 1 8.19 0.02 . 1 . . . . 348 ALA H . 16588 1 616 . 1 1 196 196 ALA C C 13 177.80 0.05 . 1 . . . . 348 ALA C . 16588 1 617 . 1 1 196 196 ALA CA C 13 51.94 0.05 . 1 . . . . 348 ALA CA . 16588 1 618 . 1 1 196 196 ALA CB C 13 19.02 0.05 . 1 . . . . 348 ALA CB . 16588 1 619 . 1 1 196 196 ALA N N 15 123.22 0.05 . 1 . . . . 348 ALA N . 16588 1 620 . 1 1 197 197 VAL H H 1 8.26 0.02 . 1 . . . . 349 VAL H . 16588 1 621 . 1 1 197 197 VAL C C 13 174.73 0.05 . 1 . . . . 349 VAL C . 16588 1 622 . 1 1 197 197 VAL CA C 13 61.39 0.05 . 1 . . . . 349 VAL CA . 16588 1 623 . 1 1 197 197 VAL CB C 13 32.56 0.05 . 1 . . . . 349 VAL CB . 16588 1 624 . 1 1 197 197 VAL N N 15 119.33 0.05 . 1 . . . . 349 VAL N . 16588 1 625 . 1 1 198 198 LEU H H 1 7.82 0.02 . 1 . . . . 350 LEU H . 16588 1 626 . 1 1 198 198 LEU C C 13 182.33 0.05 . 1 . . . . 350 LEU C . 16588 1 627 . 1 1 198 198 LEU CA C 13 56.23 0.05 . 1 . . . . 350 LEU CA . 16588 1 628 . 1 1 198 198 LEU CB C 13 42.63 0.05 . 1 . . . . 350 LEU CB . 16588 1 629 . 1 1 198 198 LEU N N 15 131.02 0.05 . 1 . . . . 350 LEU N . 16588 1 stop_ save_