data_27274 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27274 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments of phosphorylated (T183 and Y185) p38 alpha in complex with an MKK3bKIM peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-10-04 _Entry.Accession_date 2017-10-04 _Entry.Last_release_date 2017-10-04 _Entry.Original_release_date 2017-10-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _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 'Senthil Kumar' Ganesan . . . . 27274 2 Rebecca Page . . . . 27274 3 Wolfgang Peti . . . . 27274 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Arizona' . 27274 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27274 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 532 27274 '15N chemical shifts' 265 27274 '1H chemical shifts' 265 27274 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 1 . . 2018-05-22 . original BMRB . 27274 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17471 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for non-phosphorylated p38 alpha MAPK' 27274 BMRB 19934 'Dual-phospholyrated apo Human p38 alpha ILVM methyl resonance assignments' 27274 BMRB 27273 'phosphorylated (T183 and Y185) p38 alpha' 27274 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27274 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29666261 _Citation.Full_citation . _Citation.Title ; Dynamic activation and regulation of the mitogen-activated protein kinase p38 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 115 _Citation.Journal_issue 18 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1091-6490 _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 4655 _Citation.Page_last 4660 _Citation.Year 2018 _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 'Ganesan Senthil' Kumar G. S. . . 27274 1 2 Michael Clarkson M. W. . . 27274 1 3 Micha Kunze . . . . 27274 1 4 Daniele Granata D. . . . 27274 1 5 'A Joshua' Wand A. J. . . 27274 1 6 Kresten Lindorff-Larsen K. . . . 27274 1 7 Rebecca Page R. . . . 27274 1 8 Wolfgang Peti W. . . . 27274 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MAPK 27274 1 p38 27274 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27274 _Assembly.ID 1 _Assembly.Name 'dp-p38a MKK3bKIM Complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 42470 _Assembly.Enzyme_commission_number . _Assembly.Details 'doubly phosphorylated (T183 and Y185)MAPK p38 alpha in complex with MKK3bKIM peptide' _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 'dp-p38 alpha' 1 $dp-p38_alpha A . yes native no no . . 'doubly phosphorylated (T183 and Y185)MAPK p38 alpha' 27274 1 2 'MKK3b KIM' 2 $MKK3b_KIM_peptide B . no native no no . . 'Kinase Interaction Motif peptide of MKK3 kinase' 27274 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 3P4K . . X-ray 2.3 'Crystal structure of phosphorylated p38 in complex with MKK3b kim peptide' . 27274 1 yes PDB 3PY3 . . X-ray 2.1 'crystal structure of phosphorylated p38 alpha' . 27274 1 yes PDB 5UOJ . . X-ray 2.1 'crystal structure of non-phosphorylated p38 alpha' . 27274 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Fast exchange' 27274 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID kinase 27274 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_dp-p38_alpha _Entity.Sf_category entity _Entity.Sf_framecode dp-p38_alpha _Entity.Entry_ID 27274 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name dp-p38_alpha _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 ; GHMGSQERPTFYRQELNKTI WEVPERYQNLSPVGSGAYGS VCAAFDTKTGLRVAVKKLSR PFQSIIHAKRTYRELRLLKH MKHENVIGLLDVFTPARSLE EFNDVYLVTHLMGADLNNIV KCQKLTDDHVQFLIYQILRG LKYIHSADIIHRDLKPSNLA VNEDCELKILDFGLARHTDD EMXGXVATRWYRAPEIMLNW MHYNQTVDIWSVGCIMAELL TGRTLFPGTDHIDQLKLILR LVGTPGAELLKKISSESARN YIQSLTQMPKMNFANVFIGA NPLAVDLLEKMLVLDSDKRI TAAQALAHAYFAQYHDPDDE PVADPYDQSFESRDLLIDEW KSLTYDEVISFV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues 1-3 are products of a non-native cloning artifact; Native Residue 183 is phosphorylated threonine and native residue 185 is phosphorylated tyrosine. ; _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 352 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40450 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes BMRB 17471 . 'p38 alpha' . . . . . . . . . . . . . . 27274 1 . yes PDB 3PY3 . 'phosphorylated p38 alpha' . . . . . . . . . . . . . . 27274 1 . yes PDB 3P4K . 'Phosphorylated p38 alpha bound to MKK3b' . . . . . . . . . . . . . . 27274 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID Kinase 27274 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 . GLY . 27274 1 2 . HIS . 27274 1 3 . MET . 27274 1 4 . GLY . 27274 1 5 . SER . 27274 1 6 . GLN . 27274 1 7 . GLU . 27274 1 8 . ARG . 27274 1 9 . PRO . 27274 1 10 . THR . 27274 1 11 . PHE . 27274 1 12 . TYR . 27274 1 13 . ARG . 27274 1 14 . GLN . 27274 1 15 . GLU . 27274 1 16 . LEU . 27274 1 17 . ASN . 27274 1 18 . LYS . 27274 1 19 . THR . 27274 1 20 . ILE . 27274 1 21 . TRP . 27274 1 22 . GLU . 27274 1 23 . VAL . 27274 1 24 . PRO . 27274 1 25 . GLU . 27274 1 26 . ARG . 27274 1 27 . TYR . 27274 1 28 . GLN . 27274 1 29 . ASN . 27274 1 30 . LEU . 27274 1 31 . SER . 27274 1 32 . PRO . 27274 1 33 . VAL . 27274 1 34 . GLY . 27274 1 35 . SER . 27274 1 36 . GLY . 27274 1 37 . ALA . 27274 1 38 . TYR . 27274 1 39 . GLY . 27274 1 40 . SER . 27274 1 41 . VAL . 27274 1 42 . CYS . 27274 1 43 . ALA . 27274 1 44 . ALA . 27274 1 45 . PHE . 27274 1 46 . ASP . 27274 1 47 . THR . 27274 1 48 . LYS . 27274 1 49 . THR . 27274 1 50 . GLY . 27274 1 51 . LEU . 27274 1 52 . ARG . 27274 1 53 . VAL . 27274 1 54 . ALA . 27274 1 55 . VAL . 27274 1 56 . LYS . 27274 1 57 . LYS . 27274 1 58 . LEU . 27274 1 59 . SER . 27274 1 60 . ARG . 27274 1 61 . PRO . 27274 1 62 . PHE . 27274 1 63 . GLN . 27274 1 64 . SER . 27274 1 65 . ILE . 27274 1 66 . ILE . 27274 1 67 . HIS . 27274 1 68 . ALA . 27274 1 69 . LYS . 27274 1 70 . ARG . 27274 1 71 . THR . 27274 1 72 . TYR . 27274 1 73 . ARG . 27274 1 74 . GLU . 27274 1 75 . LEU . 27274 1 76 . ARG . 27274 1 77 . LEU . 27274 1 78 . LEU . 27274 1 79 . LYS . 27274 1 80 . HIS . 27274 1 81 . MET . 27274 1 82 . LYS . 27274 1 83 . HIS . 27274 1 84 . GLU . 27274 1 85 . ASN . 27274 1 86 . VAL . 27274 1 87 . ILE . 27274 1 88 . GLY . 27274 1 89 . LEU . 27274 1 90 . LEU . 27274 1 91 . ASP . 27274 1 92 . VAL . 27274 1 93 . PHE . 27274 1 94 . THR . 27274 1 95 . PRO . 27274 1 96 . ALA . 27274 1 97 . ARG . 27274 1 98 . SER . 27274 1 99 . LEU . 27274 1 100 . GLU . 27274 1 101 . GLU . 27274 1 102 . PHE . 27274 1 103 . ASN . 27274 1 104 . ASP . 27274 1 105 . VAL . 27274 1 106 . TYR . 27274 1 107 . LEU . 27274 1 108 . VAL . 27274 1 109 . THR . 27274 1 110 . HIS . 27274 1 111 . LEU . 27274 1 112 . MET . 27274 1 113 . GLY . 27274 1 114 . ALA . 27274 1 115 . ASP . 27274 1 116 . LEU . 27274 1 117 . ASN . 27274 1 118 . ASN . 27274 1 119 . ILE . 27274 1 120 . VAL . 27274 1 121 . LYS . 27274 1 122 . CYS . 27274 1 123 . GLN . 27274 1 124 . LYS . 27274 1 125 . LEU . 27274 1 126 . THR . 27274 1 127 . ASP . 27274 1 128 . ASP . 27274 1 129 . HIS . 27274 1 130 . VAL . 27274 1 131 . GLN . 27274 1 132 . PHE . 27274 1 133 . LEU . 27274 1 134 . ILE . 27274 1 135 . TYR . 27274 1 136 . GLN . 27274 1 137 . ILE . 27274 1 138 . LEU . 27274 1 139 . ARG . 27274 1 140 . GLY . 27274 1 141 . LEU . 27274 1 142 . LYS . 27274 1 143 . TYR . 27274 1 144 . ILE . 27274 1 145 . HIS . 27274 1 146 . SER . 27274 1 147 . ALA . 27274 1 148 . ASP . 27274 1 149 . ILE . 27274 1 150 . ILE . 27274 1 151 . HIS . 27274 1 152 . ARG . 27274 1 153 . ASP . 27274 1 154 . LEU . 27274 1 155 . LYS . 27274 1 156 . PRO . 27274 1 157 . SER . 27274 1 158 . ASN . 27274 1 159 . LEU . 27274 1 160 . ALA . 27274 1 161 . VAL . 27274 1 162 . ASN . 27274 1 163 . GLU . 27274 1 164 . ASP . 27274 1 165 . CYS . 27274 1 166 . GLU . 27274 1 167 . LEU . 27274 1 168 . LYS . 27274 1 169 . ILE . 27274 1 170 . LEU . 27274 1 171 . ASP . 27274 1 172 . PHE . 27274 1 173 . GLY . 27274 1 174 . LEU . 27274 1 175 . ALA . 27274 1 176 . ARG . 27274 1 177 . HIS . 27274 1 178 . THR . 27274 1 179 . ASP . 27274 1 180 . ASP . 27274 1 181 . GLU . 27274 1 182 . MET . 27274 1 183 . TPO . 27274 1 184 . GLY . 27274 1 185 . PTR . 27274 1 186 . VAL . 27274 1 187 . ALA . 27274 1 188 . THR . 27274 1 189 . ARG . 27274 1 190 . TRP . 27274 1 191 . TYR . 27274 1 192 . ARG . 27274 1 193 . ALA . 27274 1 194 . PRO . 27274 1 195 . GLU . 27274 1 196 . ILE . 27274 1 197 . MET . 27274 1 198 . LEU . 27274 1 199 . ASN . 27274 1 200 . TRP . 27274 1 201 . MET . 27274 1 202 . HIS . 27274 1 203 . TYR . 27274 1 204 . ASN . 27274 1 205 . GLN . 27274 1 206 . THR . 27274 1 207 . VAL . 27274 1 208 . ASP . 27274 1 209 . ILE . 27274 1 210 . TRP . 27274 1 211 . SER . 27274 1 212 . VAL . 27274 1 213 . GLY . 27274 1 214 . CYS . 27274 1 215 . ILE . 27274 1 216 . MET . 27274 1 217 . ALA . 27274 1 218 . GLU . 27274 1 219 . LEU . 27274 1 220 . LEU . 27274 1 221 . THR . 27274 1 222 . GLY . 27274 1 223 . ARG . 27274 1 224 . THR . 27274 1 225 . LEU . 27274 1 226 . PHE . 27274 1 227 . PRO . 27274 1 228 . GLY . 27274 1 229 . THR . 27274 1 230 . ASP . 27274 1 231 . HIS . 27274 1 232 . ILE . 27274 1 233 . ASP . 27274 1 234 . GLN . 27274 1 235 . LEU . 27274 1 236 . LYS . 27274 1 237 . LEU . 27274 1 238 . ILE . 27274 1 239 . LEU . 27274 1 240 . ARG . 27274 1 241 . LEU . 27274 1 242 . VAL . 27274 1 243 . GLY . 27274 1 244 . THR . 27274 1 245 . PRO . 27274 1 246 . GLY . 27274 1 247 . ALA . 27274 1 248 . GLU . 27274 1 249 . LEU . 27274 1 250 . LEU . 27274 1 251 . LYS . 27274 1 252 . LYS . 27274 1 253 . ILE . 27274 1 254 . SER . 27274 1 255 . SER . 27274 1 256 . GLU . 27274 1 257 . SER . 27274 1 258 . ALA . 27274 1 259 . ARG . 27274 1 260 . ASN . 27274 1 261 . TYR . 27274 1 262 . ILE . 27274 1 263 . GLN . 27274 1 264 . SER . 27274 1 265 . LEU . 27274 1 266 . THR . 27274 1 267 . GLN . 27274 1 268 . MET . 27274 1 269 . PRO . 27274 1 270 . LYS . 27274 1 271 . MET . 27274 1 272 . ASN . 27274 1 273 . PHE . 27274 1 274 . ALA . 27274 1 275 . ASN . 27274 1 276 . VAL . 27274 1 277 . PHE . 27274 1 278 . ILE . 27274 1 279 . GLY . 27274 1 280 . ALA . 27274 1 281 . ASN . 27274 1 282 . PRO . 27274 1 283 . LEU . 27274 1 284 . ALA . 27274 1 285 . VAL . 27274 1 286 . ASP . 27274 1 287 . LEU . 27274 1 288 . LEU . 27274 1 289 . GLU . 27274 1 290 . LYS . 27274 1 291 . MET . 27274 1 292 . LEU . 27274 1 293 . VAL . 27274 1 294 . LEU . 27274 1 295 . ASP . 27274 1 296 . SER . 27274 1 297 . ASP . 27274 1 298 . LYS . 27274 1 299 . ARG . 27274 1 300 . ILE . 27274 1 301 . THR . 27274 1 302 . ALA . 27274 1 303 . ALA . 27274 1 304 . GLN . 27274 1 305 . ALA . 27274 1 306 . LEU . 27274 1 307 . ALA . 27274 1 308 . HIS . 27274 1 309 . ALA . 27274 1 310 . TYR . 27274 1 311 . PHE . 27274 1 312 . ALA . 27274 1 313 . GLN . 27274 1 314 . TYR . 27274 1 315 . HIS . 27274 1 316 . ASP . 27274 1 317 . PRO . 27274 1 318 . ASP . 27274 1 319 . ASP . 27274 1 320 . GLU . 27274 1 321 . PRO . 27274 1 322 . VAL . 27274 1 323 . ALA . 27274 1 324 . ASP . 27274 1 325 . PRO . 27274 1 326 . TYR . 27274 1 327 . ASP . 27274 1 328 . GLN . 27274 1 329 . SER . 27274 1 330 . PHE . 27274 1 331 . GLU . 27274 1 332 . SER . 27274 1 333 . ARG . 27274 1 334 . ASP . 27274 1 335 . LEU . 27274 1 336 . LEU . 27274 1 337 . ILE . 27274 1 338 . ASP . 27274 1 339 . GLU . 27274 1 340 . TRP . 27274 1 341 . LYS . 27274 1 342 . SER . 27274 1 343 . LEU . 27274 1 344 . THR . 27274 1 345 . TYR . 27274 1 346 . ASP . 27274 1 347 . GLU . 27274 1 348 . VAL . 27274 1 349 . ILE . 27274 1 350 . SER . 27274 1 351 . PHE . 27274 1 352 . VAL . 27274 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 27274 1 . HIS 2 2 27274 1 . MET 3 3 27274 1 . GLY 4 4 27274 1 . SER 5 5 27274 1 . GLN 6 6 27274 1 . GLU 7 7 27274 1 . ARG 8 8 27274 1 . PRO 9 9 27274 1 . THR 10 10 27274 1 . PHE 11 11 27274 1 . TYR 12 12 27274 1 . ARG 13 13 27274 1 . GLN 14 14 27274 1 . GLU 15 15 27274 1 . LEU 16 16 27274 1 . ASN 17 17 27274 1 . LYS 18 18 27274 1 . THR 19 19 27274 1 . ILE 20 20 27274 1 . TRP 21 21 27274 1 . GLU 22 22 27274 1 . VAL 23 23 27274 1 . PRO 24 24 27274 1 . GLU 25 25 27274 1 . ARG 26 26 27274 1 . TYR 27 27 27274 1 . GLN 28 28 27274 1 . ASN 29 29 27274 1 . LEU 30 30 27274 1 . SER 31 31 27274 1 . PRO 32 32 27274 1 . VAL 33 33 27274 1 . GLY 34 34 27274 1 . SER 35 35 27274 1 . GLY 36 36 27274 1 . ALA 37 37 27274 1 . TYR 38 38 27274 1 . GLY 39 39 27274 1 . SER 40 40 27274 1 . VAL 41 41 27274 1 . CYS 42 42 27274 1 . ALA 43 43 27274 1 . ALA 44 44 27274 1 . PHE 45 45 27274 1 . ASP 46 46 27274 1 . THR 47 47 27274 1 . LYS 48 48 27274 1 . THR 49 49 27274 1 . GLY 50 50 27274 1 . LEU 51 51 27274 1 . ARG 52 52 27274 1 . VAL 53 53 27274 1 . ALA 54 54 27274 1 . VAL 55 55 27274 1 . LYS 56 56 27274 1 . LYS 57 57 27274 1 . LEU 58 58 27274 1 . SER 59 59 27274 1 . ARG 60 60 27274 1 . PRO 61 61 27274 1 . PHE 62 62 27274 1 . GLN 63 63 27274 1 . SER 64 64 27274 1 . ILE 65 65 27274 1 . ILE 66 66 27274 1 . HIS 67 67 27274 1 . ALA 68 68 27274 1 . LYS 69 69 27274 1 . ARG 70 70 27274 1 . THR 71 71 27274 1 . TYR 72 72 27274 1 . ARG 73 73 27274 1 . GLU 74 74 27274 1 . LEU 75 75 27274 1 . ARG 76 76 27274 1 . LEU 77 77 27274 1 . LEU 78 78 27274 1 . LYS 79 79 27274 1 . HIS 80 80 27274 1 . MET 81 81 27274 1 . LYS 82 82 27274 1 . HIS 83 83 27274 1 . GLU 84 84 27274 1 . ASN 85 85 27274 1 . VAL 86 86 27274 1 . ILE 87 87 27274 1 . GLY 88 88 27274 1 . LEU 89 89 27274 1 . LEU 90 90 27274 1 . ASP 91 91 27274 1 . VAL 92 92 27274 1 . PHE 93 93 27274 1 . THR 94 94 27274 1 . PRO 95 95 27274 1 . ALA 96 96 27274 1 . ARG 97 97 27274 1 . SER 98 98 27274 1 . LEU 99 99 27274 1 . GLU 100 100 27274 1 . GLU 101 101 27274 1 . PHE 102 102 27274 1 . ASN 103 103 27274 1 . ASP 104 104 27274 1 . VAL 105 105 27274 1 . TYR 106 106 27274 1 . LEU 107 107 27274 1 . VAL 108 108 27274 1 . THR 109 109 27274 1 . HIS 110 110 27274 1 . LEU 111 111 27274 1 . MET 112 112 27274 1 . GLY 113 113 27274 1 . ALA 114 114 27274 1 . ASP 115 115 27274 1 . LEU 116 116 27274 1 . ASN 117 117 27274 1 . ASN 118 118 27274 1 . ILE 119 119 27274 1 . VAL 120 120 27274 1 . LYS 121 121 27274 1 . CYS 122 122 27274 1 . GLN 123 123 27274 1 . LYS 124 124 27274 1 . LEU 125 125 27274 1 . THR 126 126 27274 1 . ASP 127 127 27274 1 . ASP 128 128 27274 1 . HIS 129 129 27274 1 . VAL 130 130 27274 1 . GLN 131 131 27274 1 . PHE 132 132 27274 1 . LEU 133 133 27274 1 . ILE 134 134 27274 1 . TYR 135 135 27274 1 . GLN 136 136 27274 1 . ILE 137 137 27274 1 . LEU 138 138 27274 1 . ARG 139 139 27274 1 . GLY 140 140 27274 1 . LEU 141 141 27274 1 . LYS 142 142 27274 1 . TYR 143 143 27274 1 . ILE 144 144 27274 1 . HIS 145 145 27274 1 . SER 146 146 27274 1 . ALA 147 147 27274 1 . ASP 148 148 27274 1 . ILE 149 149 27274 1 . ILE 150 150 27274 1 . HIS 151 151 27274 1 . ARG 152 152 27274 1 . ASP 153 153 27274 1 . LEU 154 154 27274 1 . LYS 155 155 27274 1 . PRO 156 156 27274 1 . SER 157 157 27274 1 . ASN 158 158 27274 1 . LEU 159 159 27274 1 . ALA 160 160 27274 1 . VAL 161 161 27274 1 . ASN 162 162 27274 1 . GLU 163 163 27274 1 . ASP 164 164 27274 1 . CYS 165 165 27274 1 . GLU 166 166 27274 1 . LEU 167 167 27274 1 . LYS 168 168 27274 1 . ILE 169 169 27274 1 . LEU 170 170 27274 1 . ASP 171 171 27274 1 . PHE 172 172 27274 1 . GLY 173 173 27274 1 . LEU 174 174 27274 1 . ALA 175 175 27274 1 . ARG 176 176 27274 1 . HIS 177 177 27274 1 . THR 178 178 27274 1 . ASP 179 179 27274 1 . ASP 180 180 27274 1 . GLU 181 181 27274 1 . MET 182 182 27274 1 . TPO 183 183 27274 1 . GLY 184 184 27274 1 . PTR 185 185 27274 1 . VAL 186 186 27274 1 . ALA 187 187 27274 1 . THR 188 188 27274 1 . ARG 189 189 27274 1 . TRP 190 190 27274 1 . TYR 191 191 27274 1 . ARG 192 192 27274 1 . ALA 193 193 27274 1 . PRO 194 194 27274 1 . GLU 195 195 27274 1 . ILE 196 196 27274 1 . MET 197 197 27274 1 . LEU 198 198 27274 1 . ASN 199 199 27274 1 . TRP 200 200 27274 1 . MET 201 201 27274 1 . HIS 202 202 27274 1 . TYR 203 203 27274 1 . ASN 204 204 27274 1 . GLN 205 205 27274 1 . THR 206 206 27274 1 . VAL 207 207 27274 1 . ASP 208 208 27274 1 . ILE 209 209 27274 1 . TRP 210 210 27274 1 . SER 211 211 27274 1 . VAL 212 212 27274 1 . GLY 213 213 27274 1 . CYS 214 214 27274 1 . ILE 215 215 27274 1 . MET 216 216 27274 1 . ALA 217 217 27274 1 . GLU 218 218 27274 1 . LEU 219 219 27274 1 . LEU 220 220 27274 1 . THR 221 221 27274 1 . GLY 222 222 27274 1 . ARG 223 223 27274 1 . THR 224 224 27274 1 . LEU 225 225 27274 1 . PHE 226 226 27274 1 . PRO 227 227 27274 1 . GLY 228 228 27274 1 . THR 229 229 27274 1 . ASP 230 230 27274 1 . HIS 231 231 27274 1 . ILE 232 232 27274 1 . ASP 233 233 27274 1 . GLN 234 234 27274 1 . LEU 235 235 27274 1 . LYS 236 236 27274 1 . LEU 237 237 27274 1 . ILE 238 238 27274 1 . LEU 239 239 27274 1 . ARG 240 240 27274 1 . LEU 241 241 27274 1 . VAL 242 242 27274 1 . GLY 243 243 27274 1 . THR 244 244 27274 1 . PRO 245 245 27274 1 . GLY 246 246 27274 1 . ALA 247 247 27274 1 . GLU 248 248 27274 1 . LEU 249 249 27274 1 . LEU 250 250 27274 1 . LYS 251 251 27274 1 . LYS 252 252 27274 1 . ILE 253 253 27274 1 . SER 254 254 27274 1 . SER 255 255 27274 1 . GLU 256 256 27274 1 . SER 257 257 27274 1 . ALA 258 258 27274 1 . ARG 259 259 27274 1 . ASN 260 260 27274 1 . TYR 261 261 27274 1 . ILE 262 262 27274 1 . GLN 263 263 27274 1 . SER 264 264 27274 1 . LEU 265 265 27274 1 . THR 266 266 27274 1 . GLN 267 267 27274 1 . MET 268 268 27274 1 . PRO 269 269 27274 1 . LYS 270 270 27274 1 . MET 271 271 27274 1 . ASN 272 272 27274 1 . PHE 273 273 27274 1 . ALA 274 274 27274 1 . ASN 275 275 27274 1 . VAL 276 276 27274 1 . PHE 277 277 27274 1 . ILE 278 278 27274 1 . GLY 279 279 27274 1 . ALA 280 280 27274 1 . ASN 281 281 27274 1 . PRO 282 282 27274 1 . LEU 283 283 27274 1 . ALA 284 284 27274 1 . VAL 285 285 27274 1 . ASP 286 286 27274 1 . LEU 287 287 27274 1 . LEU 288 288 27274 1 . GLU 289 289 27274 1 . LYS 290 290 27274 1 . MET 291 291 27274 1 . LEU 292 292 27274 1 . VAL 293 293 27274 1 . LEU 294 294 27274 1 . ASP 295 295 27274 1 . SER 296 296 27274 1 . ASP 297 297 27274 1 . LYS 298 298 27274 1 . ARG 299 299 27274 1 . ILE 300 300 27274 1 . THR 301 301 27274 1 . ALA 302 302 27274 1 . ALA 303 303 27274 1 . GLN 304 304 27274 1 . ALA 305 305 27274 1 . LEU 306 306 27274 1 . ALA 307 307 27274 1 . HIS 308 308 27274 1 . ALA 309 309 27274 1 . TYR 310 310 27274 1 . PHE 311 311 27274 1 . ALA 312 312 27274 1 . GLN 313 313 27274 1 . TYR 314 314 27274 1 . HIS 315 315 27274 1 . ASP 316 316 27274 1 . PRO 317 317 27274 1 . ASP 318 318 27274 1 . ASP 319 319 27274 1 . GLU 320 320 27274 1 . PRO 321 321 27274 1 . VAL 322 322 27274 1 . ALA 323 323 27274 1 . ASP 324 324 27274 1 . PRO 325 325 27274 1 . TYR 326 326 27274 1 . ASP 327 327 27274 1 . GLN 328 328 27274 1 . SER 329 329 27274 1 . PHE 330 330 27274 1 . GLU 331 331 27274 1 . SER 332 332 27274 1 . ARG 333 333 27274 1 . ASP 334 334 27274 1 . LEU 335 335 27274 1 . LEU 336 336 27274 1 . ILE 337 337 27274 1 . ASP 338 338 27274 1 . GLU 339 339 27274 1 . TRP 340 340 27274 1 . LYS 341 341 27274 1 . SER 342 342 27274 1 . LEU 343 343 27274 1 . THR 344 344 27274 1 . TYR 345 345 27274 1 . ASP 346 346 27274 1 . GLU 347 347 27274 1 . VAL 348 348 27274 1 . ILE 349 349 27274 1 . SER 350 350 27274 1 . PHE 351 351 27274 1 . VAL 352 352 27274 1 stop_ save_ save_MKK3b_KIM_peptide _Entity.Sf_category entity _Entity.Sf_framecode MKK3b_KIM_peptide _Entity.Entry_ID 27274 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name MKK3b_KIM_peptide _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 ; SKGKSKRKKDLRISCASK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This is the Kinase interaction motif peptide of MKK3' _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 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment MKK3bKIM _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2020.42 _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 Kinase 27274 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 . SER . 27274 2 2 . LYS . 27274 2 3 . GLY . 27274 2 4 . LYS . 27274 2 5 . SER . 27274 2 6 . LYS . 27274 2 7 . ARG . 27274 2 8 . LYS . 27274 2 9 . LYS . 27274 2 10 . ASP . 27274 2 11 . LEU . 27274 2 12 . ARG . 27274 2 13 . ILE . 27274 2 14 . SER . 27274 2 15 . CYS . 27274 2 16 . ALA . 27274 2 17 . SER . 27274 2 18 . LYS . 27274 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 27274 2 . LYS 2 2 27274 2 . GLY 3 3 27274 2 . LYS 4 4 27274 2 . SER 5 5 27274 2 . LYS 6 6 27274 2 . ARG 7 7 27274 2 . LYS 8 8 27274 2 . LYS 9 9 27274 2 . ASP 10 10 27274 2 . LEU 11 11 27274 2 . ARG 12 12 27274 2 . ILE 13 13 27274 2 . SER 14 14 27274 2 . CYS 15 15 27274 2 . ALA 16 16 27274 2 . SER 17 17 27274 2 . LYS 18 18 27274 2 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 27274 _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 $dp-p38_alpha . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27274 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 27274 _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 $dp-p38_alpha . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . RP1B . . . 27274 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_TPO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_TPO _Chem_comp.Entry_ID 27274 _Chem_comp.ID TPO _Chem_comp.Provenance PDB _Chem_comp.Name PHOSPHOTHREONINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code TPO _Chem_comp.PDB_code TPO _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 . _Chem_comp.One_letter_code T _Chem_comp.Three_letter_code TPO _Chem_comp.Number_atoms_all 22 _Chem_comp.Number_atoms_nh 12 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 _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 THR _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 PHOSPHONOTHREONINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C4 H10 N O6 P' _Chem_comp.Formula_weight 199.099 _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 1FMO _Chem_comp.Processing_site EBI _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 CC(C(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 27274 TPO C[C@@H](O[P](O)(O)=O)[C@H](N)C(O)=O SMILES_CANONICAL CACTVS 3.341 27274 TPO C[C@H]([C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27274 TPO C[CH](O[P](O)(O)=O)[CH](N)C(O)=O SMILES CACTVS 3.341 27274 TPO InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1 InChI InChI 1.03 27274 TPO O=P(O)(O)OC(C(N)C(=O)O)C SMILES ACDLabs 10.04 27274 TPO USRGIUJOYOXOQJ-GBXIJSLDSA-N InChIKey InChI 1.03 27274 TPO 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 '(2S,3R)-2-amino-3-phosphonooxy-butanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27274 TPO O-phosphono-L-threonine 'SYSTEMATIC NAME' ACDLabs 10.04 27274 TPO 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 N N N N . N . . N 0 . . . 1 no no . . . . 21.891 . 2.133 . -14.748 . 1.153 -1.040 2.377 1 . 27274 TPO CA CA CA CA . C . . S 0 . . . 1 no no . . . . 22.318 . 2.994 . -13.673 . 0.572 0.199 1.844 2 . 27274 TPO CB CB CB CB . C . . R 0 . . . 1 no no . . . . 21.313 . 4.075 . -13.361 . 1.111 0.449 0.434 3 . 27274 TPO CG2 CG2 CG2 CG2 . C . . N 0 . . . 1 no no . . . . 21.837 . 5.045 . -12.302 . 2.634 0.580 0.485 4 . 27274 TPO OG1 OG1 OG1 OG1 . O . . N 0 . . . 1 no no . . . . 20.898 . 4.716 . -14.523 . 0.755 -0.645 -0.412 5 . 27274 TPO P P P P . P . . N 0 . . . 1 no no . . . . 19.424 . 4.424 . -14.993 . -0.142 -0.039 -1.603 6 . 27274 TPO O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 19.358 . 5.014 . -16.321 . 0.644 0.968 -2.350 7 . 27274 TPO O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 19.243 . 2.986 . -14.834 . -0.580 -1.224 -2.601 8 . 27274 TPO O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 18.506 . 5.082 . -14.021 . -1.456 0.656 -0.985 9 . 27274 TPO C C C C . C . . N 0 . . . 1 no no . . . . 22.539 . 2.278 . -12.384 . -0.927 0.070 1.794 10 . 27274 TPO O O O O . O . . N 0 . . . 1 no no . . . . 21.778 . 1.390 . -12.005 . -1.435 -1.012 1.626 11 . 27274 TPO OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 23.582 . 2.721 . -11.720 . -1.700 1.159 1.935 12 . 27274 TPO H H H H . H . . N 0 . . . 1 no no . . . . 22.570 . 1.402 . -14.958 . 2.154 -0.949 2.296 13 . 27274 TPO H2 H2 H2 2HN . H . . N 0 . . . 1 no yes . . . . 21.663 . 2.673 . -15.582 . 0.877 -1.782 1.751 14 . 27274 TPO HA HA HA HA . H . . N 0 . . . 1 no no . . . . 23.275 . 3.418 . -14.056 . 0.844 1.034 2.490 15 . 27274 TPO HB HB HB HB . H . . N 0 . . . 1 no no . . . . 20.410 . 3.593 . -12.916 . 0.680 1.369 0.039 16 . 27274 TPO HG21 HG21 HG21 1HG2 . H . . N 0 . . . 0 no no . . . . 21.094 . 5.844 . -12.071 . 3.065 -0.339 0.881 17 . 27274 TPO HG22 HG22 HG22 2HG2 . H . . N 0 . . . 0 no no . . . . 22.154 . 4.506 . -11.378 . 3.018 0.758 -0.518 18 . 27274 TPO HG23 HG23 HG23 3HG2 . H . . N 0 . . . 0 no no . . . . 22.821 . 5.477 . -12.598 . 2.906 1.415 1.131 19 . 27274 TPO HOP2 HOP2 HOP2 2HOP . H . . N 0 . . . 0 no no . . . . 18.353 . 2.809 . -15.117 . -1.114 -0.819 -3.298 20 . 27274 TPO HOP3 HOP3 HOP3 3HOP . H . . N 0 . . . 0 no no . . . . 17.616 . 4.905 . -14.304 . -1.938 -0.033 -0.509 21 . 27274 TPO HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 23.722 . 2.264 . -10.898 . -2.662 1.076 1.902 22 . 27274 TPO 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 N CA no N 1 . 27274 TPO 2 . SING N H no N 2 . 27274 TPO 3 . SING N H2 no N 3 . 27274 TPO 4 . SING CA CB no N 4 . 27274 TPO 5 . SING CA C no N 5 . 27274 TPO 6 . SING CA HA no N 6 . 27274 TPO 7 . SING CB CG2 no N 7 . 27274 TPO 8 . SING CB OG1 no N 8 . 27274 TPO 9 . SING CB HB no N 9 . 27274 TPO 10 . SING CG2 HG21 no N 10 . 27274 TPO 11 . SING CG2 HG22 no N 11 . 27274 TPO 12 . SING CG2 HG23 no N 12 . 27274 TPO 13 . SING OG1 P no N 13 . 27274 TPO 14 . DOUB P O1P no N 14 . 27274 TPO 15 . SING P O2P no N 15 . 27274 TPO 16 . SING P O3P no N 16 . 27274 TPO 17 . SING O2P HOP2 no N 17 . 27274 TPO 18 . SING O3P HOP3 no N 18 . 27274 TPO 19 . DOUB C O no N 19 . 27274 TPO 20 . SING C OXT no N 20 . 27274 TPO 21 . SING OXT HXT no N 21 . 27274 TPO stop_ save_ save_chem_comp_PTR _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_PTR _Chem_comp.Entry_ID 27274 _Chem_comp.ID PTR _Chem_comp.Provenance PDB _Chem_comp.Name O-PHOSPHOTYROSINE _Chem_comp.Type 'L-PEPTIDE LINKING' _Chem_comp.BMRB_code PTR _Chem_comp.PDB_code PTR _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 . _Chem_comp.One_letter_code Y _Chem_comp.Three_letter_code PTR _Chem_comp.Number_atoms_all 29 _Chem_comp.Number_atoms_nh 17 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 _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 TYR _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 PHOSPHONOTYROSINE _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C9 H12 N O6 P' _Chem_comp.Formula_weight 261.168 _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 . _Chem_comp.Processing_site RCSB _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 DCWXELXMIBXGTH-QMMMGPOBSA-N InChIKey InChI 1.03 27274 PTR InChI=1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 InChI InChI 1.03 27274 PTR N[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES_CANONICAL CACTVS 3.341 27274 PTR N[CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O SMILES CACTVS 3.341 27274 PTR O=P(Oc1ccc(cc1)CC(C(=O)O)N)(O)O SMILES ACDLabs 10.04 27274 PTR c1cc(ccc1CC(C(=O)O)N)OP(=O)(O)O SMILES 'OpenEye OEToolkits' 1.5.0 27274 PTR c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27274 PTR 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 '(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27274 PTR O-phosphono-L-tyrosine 'SYSTEMATIC NAME' ACDLabs 10.04 27274 PTR 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 N N N N . N . . N 0 . . . 1 no no . . . . 46.366 . 11.139 . -0.665 . 1.298 0.975 3.302 1 . 27274 PTR CA CA CA CA . C . . S 0 . . . 1 no no . . . . 44.969 . 11.616 . -0.749 . -0.036 0.399 3.512 2 . 27274 PTR C C C C . C . . N 0 . . . 1 no no . . . . 44.978 . 13.010 . -1.358 . -0.148 -0.106 4.928 3 . 27274 PTR O O O O . O . . N 0 . . . 1 no no . . . . 43.891 . 13.514 . -1.708 . 0.833 -0.507 5.505 4 . 27274 PTR OXT OXT OXT OXT . O . . N 0 . . . 1 no yes . . . . 46.088 . 13.575 . -1.497 . -1.339 -0.110 5.546 5 . 27274 PTR CB CB CB CB . C . . N 0 . . . 1 no no . . . . 44.332 . 11.618 . 0.644 . -0.250 -0.760 2.538 6 . 27274 PTR CG CG CG CG . C . . N 0 . . . 1 yes no . . . . 44.885 . 12.640 . 1.620 . -0.138 -0.254 1.123 7 . 27274 PTR CD1 CD1 CD1 CD1 . C . . N 0 . . . 1 yes no . . . . 45.913 . 12.302 . 2.506 . 1.089 -0.250 0.487 8 . 27274 PTR CD2 CD2 CD2 CD2 . C . . N 0 . . . 1 yes no . . . . 44.319 . 13.921 . 1.716 . -1.264 0.198 0.461 9 . 27274 PTR CE1 CE1 CE1 CE1 . C . . N 0 . . . 1 yes no . . . . 46.364 . 13.214 . 3.480 . 1.194 0.212 -0.810 10 . 27274 PTR CE2 CE2 CE2 CE2 . C . . N 0 . . . 1 yes no . . . . 44.753 . 14.849 . 2.683 . -1.163 0.668 -0.834 11 . 27274 PTR CZ CZ CZ CZ . C . . N 0 . . . 1 yes no . . . . 45.772 . 14.487 . 3.562 . 0.067 0.673 -1.474 12 . 27274 PTR OH OH OH OH . O . . N 0 . . . 1 no no . . . . 46.216 . 15.385 . 4.594 . 0.168 1.129 -2.750 13 . 27274 PTR P P P P . P . . N 0 . . . 1 no no . . . . 45.382 . 15.884 . 5.757 . -0.065 -0.136 -3.717 14 . 27274 PTR O1P O1P O1P O1P . O . . N 0 . . . 1 no no . . . . 44.096 . 16.422 . 5.355 . -1.409 -0.705 -3.467 15 . 27274 PTR O2P O2P O2P O2P . O . . N 0 . . . 1 no no . . . . 46.274 . 16.938 . 6.218 . 0.040 0.334 -5.253 16 . 27274 PTR O3P O3P O3P O3P . O . . N 0 . . . 1 no no . . . . 45.279 . 14.830 . 6.778 . 1.053 -1.253 -3.419 17 . 27274 PTR H H H 1HN . H . . N 0 . . . 1 no no . . . . 46.360 . 10.204 . -0.256 . 1.963 0.235 3.473 18 . 27274 PTR HN2 HN2 HN2 2HN . H . . N 0 . . . 1 no yes . . . . 46.972 . 11.785 . -0.159 . 1.365 1.204 2.322 19 . 27274 PTR HA HA HA HA . H . . N 0 . . . 1 no no . . . . 44.360 . 10.939 . -1.392 . -0.793 1.164 3.339 20 . 27274 PTR HXT HXT HXT HXT . H . . N 0 . . . 1 no yes . . . . 46.093 . 14.445 . -1.877 . -1.411 -0.435 6.454 21 . 27274 PTR HB2 HB2 HB2 1HB . H . . N 0 . . . 1 no no . . . . 43.226 . 11.735 . 0.556 . 0.506 -1.525 2.711 22 . 27274 PTR HB3 HB3 HB3 2HB . H . . N 0 . . . 1 no no . . . . 44.388 . 10.597 . 1.089 . -1.241 -1.187 2.694 23 . 27274 PTR HD1 HD1 HD1 HD1 . H . . N 0 . . . 1 no no . . . . 46.374 . 11.302 . 2.435 . 1.966 -0.609 1.004 24 . 27274 PTR HD2 HD2 HD2 HD2 . H . . N 0 . . . 1 no no . . . . 43.515 . 14.204 . 1.015 . -2.222 0.194 0.959 25 . 27274 PTR HE1 HE1 HE1 HE1 . H . . N 0 . . . 1 no no . . . . 47.174 . 12.933 . 4.173 . 2.154 0.216 -1.306 26 . 27274 PTR HE2 HE2 HE2 HE2 . H . . N 0 . . . 1 no no . . . . 44.298 . 15.851 . 2.751 . -2.041 1.026 -1.349 27 . 27274 PTR HO2P HO2P HO2P PHO2 . H . . N 0 . . . 0 no no . . . . 45.751 . 17.250 . 6.947 . -0.105 -0.451 -5.797 28 . 27274 PTR HO3P HO3P HO3P PHO3 . H . . N 0 . . . 0 no no . . . . 44.756 . 15.142 . 7.507 . 1.911 -0.843 -3.593 29 . 27274 PTR 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 N CA no N 1 . 27274 PTR 2 . SING N H no N 2 . 27274 PTR 3 . SING N HN2 no N 3 . 27274 PTR 4 . SING CA C no N 4 . 27274 PTR 5 . SING CA CB no N 5 . 27274 PTR 6 . SING CA HA no N 6 . 27274 PTR 7 . DOUB C O no N 7 . 27274 PTR 8 . SING C OXT no N 8 . 27274 PTR 9 . SING OXT HXT no N 9 . 27274 PTR 10 . SING CB CG no N 10 . 27274 PTR 11 . SING CB HB2 no N 11 . 27274 PTR 12 . SING CB HB3 no N 12 . 27274 PTR 13 . DOUB CG CD1 yes N 13 . 27274 PTR 14 . SING CG CD2 yes N 14 . 27274 PTR 15 . SING CD1 CE1 yes N 15 . 27274 PTR 16 . SING CD1 HD1 no N 16 . 27274 PTR 17 . DOUB CD2 CE2 yes N 17 . 27274 PTR 18 . SING CD2 HD2 no N 18 . 27274 PTR 19 . DOUB CE1 CZ yes N 19 . 27274 PTR 20 . SING CE1 HE1 no N 20 . 27274 PTR 21 . SING CE2 CZ yes N 21 . 27274 PTR 22 . SING CE2 HE2 no N 22 . 27274 PTR 23 . SING CZ OH no N 23 . 27274 PTR 24 . SING OH P no N 24 . 27274 PTR 25 . DOUB P O1P no N 25 . 27274 PTR 26 . SING P O2P no N 26 . 27274 PTR 27 . SING P O3P no N 27 . 27274 PTR 28 . SING O2P HO2P no N 28 . 27274 PTR 29 . SING O3P HO3P no N 29 . 27274 PTR stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27274 _Sample.ID 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 'dp-p38 alpha' '[U-2H; U-13C; U-15N]' . . 1 $dp-p38_alpha . . 0.35 . . mM . . . . 27274 1 2 'MKK3b KIM' '[U-2H; U-13C; U-15N]' . . 2 $MKK3b_KIM_peptide . . 0.35 . . mM . . . . 27274 1 3 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 27274 1 4 'Sodium Chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27274 1 5 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 27274 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 27274 _Sample_condition_list.ID 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' 0.15 . M 27274 1 pH 7.4 . pH 27274 1 pressure 1 . atm 27274 1 temperature 293 . K 27274 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27274 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27274 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27274 1 processing 27274 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27274 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version NMRFAM _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27274 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27274 2 'data analysis' 27274 2 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 27274 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27274 _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 . 850 . . . 27274 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 27274 _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 . . . . . . . . . . . . . . . . 27274 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27274 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27274 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27274 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 27274 _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.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 na indirect 0.251449530 . . . . . 27274 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 27274 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 27274 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 27274 _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' . . . 27274 1 2 '3D HNCA' . . . 27274 1 3 '3D HN(CO)CA' . . . 27274 1 4 '3D HNCACB' . . . 27274 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 MET CA C 13 55.09 0.20 . 1 . . . . . 3 MET CA . 27274 1 2 . 1 1 3 3 MET CB C 13 31.68 0.20 . 1 . . . . . 3 MET CB . 27274 1 3 . 1 1 4 4 GLY H H 1 8.36 0.03 . 1 . . . . . 4 GLY H . 27274 1 4 . 1 1 4 4 GLY CA C 13 44.77 0.20 . 1 . . . . . 4 GLY CA . 27274 1 5 . 1 1 4 4 GLY N N 15 111.00 0.30 . 1 . . . . . 4 GLY N . 27274 1 6 . 1 1 5 5 SER H H 1 8.14 0.03 . 1 . . . . . 5 SER H . 27274 1 7 . 1 1 5 5 SER CA C 13 58.03 0.20 . 1 . . . . . 5 SER CA . 27274 1 8 . 1 1 5 5 SER CB C 13 63.16 0.20 . 1 . . . . . 5 SER CB . 27274 1 9 . 1 1 5 5 SER N N 15 116.11 0.30 . 1 . . . . . 5 SER N . 27274 1 10 . 1 1 6 6 GLN H H 1 8.39 0.03 . 1 . . . . . 6 GLN H . 27274 1 11 . 1 1 6 6 GLN CA C 13 55.30 0.20 . 1 . . . . . 6 GLN CA . 27274 1 12 . 1 1 6 6 GLN CB C 13 28.77 0.20 . 1 . . . . . 6 GLN CB . 27274 1 13 . 1 1 6 6 GLN N N 15 122.25 0.30 . 1 . . . . . 6 GLN N . 27274 1 14 . 1 1 7 7 GLU H H 1 8.27 0.03 . 1 . . . . . 7 GLU H . 27274 1 15 . 1 1 7 7 GLU CA C 13 55.64 0.20 . 1 . . . . . 7 GLU CA . 27274 1 16 . 1 1 7 7 GLU CB C 13 29.28 0.20 . 1 . . . . . 7 GLU CB . 27274 1 17 . 1 1 7 7 GLU N N 15 122.61 0.30 . 1 . . . . . 7 GLU N . 27274 1 18 . 1 1 8 8 ARG H H 1 8.34 0.03 . 1 . . . . . 8 ARG H . 27274 1 19 . 1 1 8 8 ARG CA C 13 53.57 0.20 . 1 . . . . . 8 ARG CA . 27274 1 20 . 1 1 8 8 ARG CB C 13 29.74 0.20 . 1 . . . . . 8 ARG CB . 27274 1 21 . 1 1 8 8 ARG N N 15 125.48 0.30 . 1 . . . . . 8 ARG N . 27274 1 22 . 1 1 9 9 PRO CA C 13 62.22 0.20 . 1 . . . . . 9 PRO CA . 27274 1 23 . 1 1 9 9 PRO CB C 13 31.60 0.20 . 1 . . . . . 9 PRO CB . 27274 1 24 . 1 1 10 10 THR H H 1 8.42 0.03 . 1 . . . . . 10 THR H . 27274 1 25 . 1 1 10 10 THR CA C 13 62.68 0.20 . 1 . . . . . 10 THR CA . 27274 1 26 . 1 1 10 10 THR CB C 13 68.81 0.20 . 1 . . . . . 10 THR CB . 27274 1 27 . 1 1 10 10 THR N N 15 117.49 0.30 . 1 . . . . . 10 THR N . 27274 1 28 . 1 1 11 11 PHE H H 1 8.73 0.03 . 1 . . . . . 11 PHE H . 27274 1 29 . 1 1 11 11 PHE CA C 13 56.51 0.20 . 1 . . . . . 11 PHE CA . 27274 1 30 . 1 1 11 11 PHE CB C 13 41.38 0.20 . 1 . . . . . 11 PHE CB . 27274 1 31 . 1 1 11 11 PHE N N 15 127.38 0.30 . 1 . . . . . 11 PHE N . 27274 1 32 . 1 1 12 12 TYR H H 1 9.07 0.03 . 1 . . . . . 12 TYR H . 27274 1 33 . 1 1 12 12 TYR CA C 13 55.47 0.20 . 1 . . . . . 12 TYR CA . 27274 1 34 . 1 1 12 12 TYR CB C 13 40.26 0.20 . 1 . . . . . 12 TYR CB . 27274 1 35 . 1 1 12 12 TYR N N 15 120.17 0.30 . 1 . . . . . 12 TYR N . 27274 1 36 . 1 1 13 13 ARG H H 1 8.38 0.03 . 1 . . . . . 13 ARG H . 27274 1 37 . 1 1 13 13 ARG CA C 13 54.05 0.20 . 1 . . . . . 13 ARG CA . 27274 1 38 . 1 1 13 13 ARG CB C 13 32.83 0.20 . 1 . . . . . 13 ARG CB . 27274 1 39 . 1 1 13 13 ARG N N 15 120.19 0.30 . 1 . . . . . 13 ARG N . 27274 1 40 . 1 1 14 14 GLN H H 1 8.90 0.03 . 1 . . . . . 14 GLN H . 27274 1 41 . 1 1 14 14 GLN CA C 13 54.33 0.20 . 1 . . . . . 14 GLN CA . 27274 1 42 . 1 1 14 14 GLN CB C 13 32.47 0.20 . 1 . . . . . 14 GLN CB . 27274 1 43 . 1 1 14 14 GLN N N 15 122.55 0.30 . 1 . . . . . 14 GLN N . 27274 1 44 . 1 1 15 15 GLU H H 1 8.79 0.03 . 1 . . . . . 15 GLU H . 27274 1 45 . 1 1 15 15 GLU CA C 13 54.92 0.20 . 1 . . . . . 15 GLU CA . 27274 1 46 . 1 1 15 15 GLU CB C 13 29.76 0.20 . 1 . . . . . 15 GLU CB . 27274 1 47 . 1 1 15 15 GLU N N 15 125.66 0.30 . 1 . . . . . 15 GLU N . 27274 1 48 . 1 1 16 16 LEU H H 1 8.93 0.03 . 1 . . . . . 16 LEU H . 27274 1 49 . 1 1 16 16 LEU CA C 13 53.51 0.20 . 1 . . . . . 16 LEU CA . 27274 1 50 . 1 1 16 16 LEU CB C 13 43.74 0.20 . 1 . . . . . 16 LEU CB . 27274 1 51 . 1 1 16 16 LEU N N 15 128.62 0.30 . 1 . . . . . 16 LEU N . 27274 1 52 . 1 1 17 17 ASN H H 1 7.21 0.03 . 1 . . . . . 17 ASN H . 27274 1 53 . 1 1 17 17 ASN CA C 13 53.89 0.20 . 1 . . . . . 17 ASN CA . 27274 1 54 . 1 1 17 17 ASN CB C 13 36.68 0.20 . 1 . . . . . 17 ASN CB . 27274 1 55 . 1 1 17 17 ASN N N 15 116.60 0.30 . 1 . . . . . 17 ASN N . 27274 1 56 . 1 1 18 18 LYS H H 1 8.81 0.03 . 1 . . . . . 18 LYS H . 27274 1 57 . 1 1 18 18 LYS CA C 13 57.15 0.20 . 1 . . . . . 18 LYS CA . 27274 1 58 . 1 1 18 18 LYS CB C 13 28.82 0.20 . 1 . . . . . 18 LYS CB . 27274 1 59 . 1 1 18 18 LYS N N 15 110.05 0.30 . 1 . . . . . 18 LYS N . 27274 1 60 . 1 1 19 19 THR H H 1 7.78 0.03 . 1 . . . . . 19 THR H . 27274 1 61 . 1 1 19 19 THR CA C 13 60.90 0.20 . 1 . . . . . 19 THR CA . 27274 1 62 . 1 1 19 19 THR CB C 13 70.65 0.20 . 1 . . . . . 19 THR CB . 27274 1 63 . 1 1 19 19 THR N N 15 115.90 0.30 . 1 . . . . . 19 THR N . 27274 1 64 . 1 1 20 20 ILE H H 1 8.54 0.03 . 1 . . . . . 20 ILE H . 27274 1 65 . 1 1 20 20 ILE CA C 13 59.70 0.20 . 1 . . . . . 20 ILE CA . 27274 1 66 . 1 1 20 20 ILE CB C 13 35.95 0.20 . 1 . . . . . 20 ILE CB . 27274 1 67 . 1 1 20 20 ILE N N 15 125.60 0.30 . 1 . . . . . 20 ILE N . 27274 1 68 . 1 1 21 21 TRP H H 1 9.20 0.03 . 1 . . . . . 21 TRP H . 27274 1 69 . 1 1 21 21 TRP CA C 13 56.40 0.20 . 1 . . . . . 21 TRP CA . 27274 1 70 . 1 1 21 21 TRP CB C 13 28.48 0.20 . 1 . . . . . 21 TRP CB . 27274 1 71 . 1 1 21 21 TRP N N 15 131.12 0.30 . 1 . . . . . 21 TRP N . 27274 1 72 . 1 1 22 22 GLU H H 1 8.20 0.03 . 1 . . . . . 22 GLU H . 27274 1 73 . 1 1 22 22 GLU CA C 13 54.39 0.20 . 1 . . . . . 22 GLU CA . 27274 1 74 . 1 1 22 22 GLU CB C 13 30.55 0.20 . 1 . . . . . 22 GLU CB . 27274 1 75 . 1 1 22 22 GLU N N 15 128.29 0.30 . 1 . . . . . 22 GLU N . 27274 1 76 . 1 1 23 23 VAL H H 1 7.58 0.03 . 1 . . . . . 23 VAL H . 27274 1 77 . 1 1 23 23 VAL CA C 13 55.73 0.20 . 1 . . . . . 23 VAL CA . 27274 1 78 . 1 1 23 23 VAL CB C 13 33.55 0.20 . 1 . . . . . 23 VAL CB . 27274 1 79 . 1 1 23 23 VAL N N 15 112.42 0.30 . 1 . . . . . 23 VAL N . 27274 1 80 . 1 1 24 24 PRO CA C 13 61.43 0.20 . 1 . . . . . 24 PRO CA . 27274 1 81 . 1 1 24 24 PRO CB C 13 31.71 0.20 . 1 . . . . . 24 PRO CB . 27274 1 82 . 1 1 25 25 GLU H H 1 8.05 0.03 . 1 . . . . . 25 GLU H . 27274 1 83 . 1 1 25 25 GLU CA C 13 58.12 0.20 . 1 . . . . . 25 GLU CA . 27274 1 84 . 1 1 25 25 GLU CB C 13 29.07 0.20 . 1 . . . . . 25 GLU CB . 27274 1 85 . 1 1 25 25 GLU N N 15 119.05 0.30 . 1 . . . . . 25 GLU N . 27274 1 86 . 1 1 26 26 ARG H H 1 7.41 0.03 . 1 . . . . . 26 ARG H . 27274 1 87 . 1 1 26 26 ARG CA C 13 57.36 0.20 . 1 . . . . . 26 ARG CA . 27274 1 88 . 1 1 26 26 ARG CB C 13 29.61 0.20 . 1 . . . . . 26 ARG CB . 27274 1 89 . 1 1 26 26 ARG N N 15 117.59 0.30 . 1 . . . . . 26 ARG N . 27274 1 90 . 1 1 27 27 TYR H H 1 7.71 0.03 . 1 . . . . . 27 TYR H . 27274 1 91 . 1 1 27 27 TYR CA C 13 56.83 0.20 . 1 . . . . . 27 TYR CA . 27274 1 92 . 1 1 27 27 TYR CB C 13 37.19 0.20 . 1 . . . . . 27 TYR CB . 27274 1 93 . 1 1 27 27 TYR N N 15 118.24 0.30 . 1 . . . . . 27 TYR N . 27274 1 94 . 1 1 28 28 GLN H H 1 9.12 0.03 . 1 . . . . . 28 GLN H . 27274 1 95 . 1 1 28 28 GLN CA C 13 53.15 0.20 . 1 . . . . . 28 GLN CA . 27274 1 96 . 1 1 28 28 GLN CB C 13 32.38 0.20 . 1 . . . . . 28 GLN CB . 27274 1 97 . 1 1 28 28 GLN N N 15 122.68 0.30 . 1 . . . . . 28 GLN N . 27274 1 98 . 1 1 29 29 ASN H H 1 8.76 0.03 . 1 . . . . . 29 ASN H . 27274 1 99 . 1 1 29 29 ASN CA C 13 53.14 0.20 . 1 . . . . . 29 ASN CA . 27274 1 100 . 1 1 29 29 ASN CB C 13 36.17 0.20 . 1 . . . . . 29 ASN CB . 27274 1 101 . 1 1 29 29 ASN N N 15 117.59 0.30 . 1 . . . . . 29 ASN N . 27274 1 102 . 1 1 30 30 LEU H H 1 8.48 0.03 . 1 . . . . . 30 LEU H . 27274 1 103 . 1 1 30 30 LEU CA C 13 56.57 0.20 . 1 . . . . . 30 LEU CA . 27274 1 104 . 1 1 30 30 LEU CB C 13 40.77 0.20 . 1 . . . . . 30 LEU CB . 27274 1 105 . 1 1 30 30 LEU N N 15 120.33 0.30 . 1 . . . . . 30 LEU N . 27274 1 106 . 1 1 31 31 SER H H 1 8.70 0.03 . 1 . . . . . 31 SER H . 27274 1 107 . 1 1 31 31 SER CA C 13 54.12 0.20 . 1 . . . . . 31 SER CA . 27274 1 108 . 1 1 31 31 SER CB C 13 64.17 0.20 . 1 . . . . . 31 SER CB . 27274 1 109 . 1 1 31 31 SER N N 15 116.18 0.30 . 1 . . . . . 31 SER N . 27274 1 110 . 1 1 32 32 PRO CA C 13 63.99 0.20 . 1 . . . . . 32 PRO CA . 27274 1 111 . 1 1 32 32 PRO CB C 13 31.80 0.20 . 1 . . . . . 32 PRO CB . 27274 1 112 . 1 1 33 33 VAL H H 1 8.52 0.03 . 1 . . . . . 33 VAL H . 27274 1 113 . 1 1 33 33 VAL CA C 13 61.61 0.20 . 1 . . . . . 33 VAL CA . 27274 1 114 . 1 1 33 33 VAL CB C 13 33.41 0.20 . 1 . . . . . 33 VAL CB . 27274 1 115 . 1 1 33 33 VAL N N 15 121.02 0.30 . 1 . . . . . 33 VAL N . 27274 1 116 . 1 1 34 34 GLY H H 1 7.79 0.03 . 1 . . . . . 34 GLY H . 27274 1 117 . 1 1 34 34 GLY CA C 13 45.07 0.20 . 1 . . . . . 34 GLY CA . 27274 1 118 . 1 1 34 34 GLY N N 15 109.03 0.30 . 1 . . . . . 34 GLY N . 27274 1 119 . 1 1 35 35 SER H H 1 8.34 0.03 . 1 . . . . . 35 SER H . 27274 1 120 . 1 1 35 35 SER CA C 13 57.55 0.20 . 1 . . . . . 35 SER CA . 27274 1 121 . 1 1 35 35 SER CB C 13 64.20 0.20 . 1 . . . . . 35 SER CB . 27274 1 122 . 1 1 35 35 SER N N 15 115.42 0.30 . 1 . . . . . 35 SER N . 27274 1 123 . 1 1 36 36 GLY H H 1 8.11 0.03 . 1 . . . . . 36 GLY H . 27274 1 124 . 1 1 36 36 GLY CA C 13 44.43 0.20 . 1 . . . . . 36 GLY CA . 27274 1 125 . 1 1 36 36 GLY N N 15 110.51 0.30 . 1 . . . . . 36 GLY N . 27274 1 126 . 1 1 37 37 ALA H H 1 8.40 0.03 . 1 . . . . . 37 ALA H . 27274 1 127 . 1 1 37 37 ALA CA C 13 53.48 0.20 . 1 . . . . . 37 ALA CA . 27274 1 128 . 1 1 37 37 ALA CB C 13 17.81 0.20 . 1 . . . . . 37 ALA CB . 27274 1 129 . 1 1 37 37 ALA N N 15 124.18 0.30 . 1 . . . . . 37 ALA N . 27274 1 130 . 1 1 38 38 TYR H H 1 7.98 0.03 . 1 . . . . . 38 TYR H . 27274 1 131 . 1 1 38 38 TYR CA C 13 56.58 0.20 . 1 . . . . . 38 TYR CA . 27274 1 132 . 1 1 38 38 TYR CB C 13 37.16 0.20 . 1 . . . . . 38 TYR CB . 27274 1 133 . 1 1 38 38 TYR N N 15 114.00 0.30 . 1 . . . . . 38 TYR N . 27274 1 134 . 1 1 39 39 GLY H H 1 7.30 0.03 . 1 . . . . . 39 GLY H . 27274 1 135 . 1 1 39 39 GLY CA C 13 45.00 0.20 . 1 . . . . . 39 GLY CA . 27274 1 136 . 1 1 39 39 GLY N N 15 108.64 0.30 . 1 . . . . . 39 GLY N . 27274 1 137 . 1 1 40 40 SER H H 1 8.09 0.03 . 1 . . . . . 40 SER H . 27274 1 138 . 1 1 40 40 SER CA C 13 57.47 0.20 . 1 . . . . . 40 SER CA . 27274 1 139 . 1 1 40 40 SER N N 15 116.10 0.30 . 1 . . . . . 40 SER N . 27274 1 140 . 1 1 41 41 VAL H H 1 8.60 0.03 . 1 . . . . . 41 VAL H . 27274 1 141 . 1 1 41 41 VAL CA C 13 60.99 0.20 . 1 . . . . . 41 VAL CA . 27274 1 142 . 1 1 41 41 VAL CB C 13 33.93 0.20 . 1 . . . . . 41 VAL CB . 27274 1 143 . 1 1 41 41 VAL N N 15 122.55 0.30 . 1 . . . . . 41 VAL N . 27274 1 144 . 1 1 42 42 CYS H H 1 9.18 0.03 . 1 . . . . . 42 CYS H . 27274 1 145 . 1 1 42 42 CYS CA C 13 57.52 0.20 . 1 . . . . . 42 CYS CA . 27274 1 146 . 1 1 42 42 CYS CB C 13 30.70 0.20 . 1 . . . . . 42 CYS CB . 27274 1 147 . 1 1 42 42 CYS N N 15 125.34 0.30 . 1 . . . . . 42 CYS N . 27274 1 148 . 1 1 43 43 ALA H H 1 8.72 0.03 . 1 . . . . . 43 ALA H . 27274 1 149 . 1 1 43 43 ALA CA C 13 50.18 0.20 . 1 . . . . . 43 ALA CA . 27274 1 150 . 1 1 43 43 ALA CB C 13 19.88 0.20 . 1 . . . . . 43 ALA CB . 27274 1 151 . 1 1 43 43 ALA N N 15 125.69 0.30 . 1 . . . . . 43 ALA N . 27274 1 152 . 1 1 44 44 ALA H H 1 8.96 0.03 . 1 . . . . . 44 ALA H . 27274 1 153 . 1 1 44 44 ALA CA C 13 50.16 0.20 . 1 . . . . . 44 ALA CA . 27274 1 154 . 1 1 44 44 ALA CB C 13 22.21 0.20 . 1 . . . . . 44 ALA CB . 27274 1 155 . 1 1 44 44 ALA N N 15 120.70 0.30 . 1 . . . . . 44 ALA N . 27274 1 156 . 1 1 45 45 PHE H H 1 9.14 0.03 . 1 . . . . . 45 PHE H . 27274 1 157 . 1 1 45 45 PHE CA C 13 56.77 0.20 . 1 . . . . . 45 PHE CA . 27274 1 158 . 1 1 45 45 PHE CB C 13 40.53 0.20 . 1 . . . . . 45 PHE CB . 27274 1 159 . 1 1 45 45 PHE N N 15 122.36 0.30 . 1 . . . . . 45 PHE N . 27274 1 160 . 1 1 46 46 ASP H H 1 8.24 0.03 . 1 . . . . . 46 ASP H . 27274 1 161 . 1 1 46 46 ASP CA C 13 51.42 0.20 . 1 . . . . . 46 ASP CA . 27274 1 162 . 1 1 46 46 ASP CB C 13 40.72 0.20 . 1 . . . . . 46 ASP CB . 27274 1 163 . 1 1 46 46 ASP N N 15 125.98 0.30 . 1 . . . . . 46 ASP N . 27274 1 164 . 1 1 47 47 THR H H 1 8.89 0.03 . 1 . . . . . 47 THR H . 27274 1 165 . 1 1 47 47 THR CA C 13 63.38 0.20 . 1 . . . . . 47 THR CA . 27274 1 166 . 1 1 47 47 THR CB C 13 68.49 0.20 . 1 . . . . . 47 THR CB . 27274 1 167 . 1 1 47 47 THR N N 15 117.50 0.30 . 1 . . . . . 47 THR N . 27274 1 168 . 1 1 48 48 LYS H H 1 7.82 0.03 . 1 . . . . . 48 LYS H . 27274 1 169 . 1 1 48 48 LYS CA C 13 58.20 0.20 . 1 . . . . . 48 LYS CA . 27274 1 170 . 1 1 48 48 LYS CB C 13 31.98 0.20 . 1 . . . . . 48 LYS CB . 27274 1 171 . 1 1 48 48 LYS N N 15 121.79 0.30 . 1 . . . . . 48 LYS N . 27274 1 172 . 1 1 49 49 THR H H 1 6.52 0.03 . 1 . . . . . 49 THR H . 27274 1 173 . 1 1 49 49 THR CA C 13 61.29 0.20 . 1 . . . . . 49 THR CA . 27274 1 174 . 1 1 49 49 THR CB C 13 70.44 0.20 . 1 . . . . . 49 THR CB . 27274 1 175 . 1 1 49 49 THR N N 15 105.09 0.30 . 1 . . . . . 49 THR N . 27274 1 176 . 1 1 50 50 GLY H H 1 8.29 0.03 . 1 . . . . . 50 GLY H . 27274 1 177 . 1 1 50 50 GLY CA C 13 45.48 0.20 . 1 . . . . . 50 GLY CA . 27274 1 178 . 1 1 50 50 GLY N N 15 112.42 0.30 . 1 . . . . . 50 GLY N . 27274 1 179 . 1 1 51 51 LEU H H 1 7.03 0.03 . 1 . . . . . 51 LEU H . 27274 1 180 . 1 1 51 51 LEU CA C 13 53.14 0.20 . 1 . . . . . 51 LEU CA . 27274 1 181 . 1 1 51 51 LEU CB C 13 43.06 0.20 . 1 . . . . . 51 LEU CB . 27274 1 182 . 1 1 51 51 LEU N N 15 119.69 0.30 . 1 . . . . . 51 LEU N . 27274 1 183 . 1 1 52 52 ARG H H 1 8.17 0.03 . 1 . . . . . 52 ARG H . 27274 1 184 . 1 1 52 52 ARG CA C 13 55.53 0.20 . 1 . . . . . 52 ARG CA . 27274 1 185 . 1 1 52 52 ARG CB C 13 29.48 0.20 . 1 . . . . . 52 ARG CB . 27274 1 186 . 1 1 52 52 ARG N N 15 119.88 0.30 . 1 . . . . . 52 ARG N . 27274 1 187 . 1 1 53 53 VAL H H 1 8.76 0.03 . 1 . . . . . 53 VAL H . 27274 1 188 . 1 1 53 53 VAL CA C 13 59.03 0.20 . 1 . . . . . 53 VAL CA . 27274 1 189 . 1 1 53 53 VAL CB C 13 34.63 0.20 . 1 . . . . . 53 VAL CB . 27274 1 190 . 1 1 53 53 VAL N N 15 116.79 0.30 . 1 . . . . . 53 VAL N . 27274 1 191 . 1 1 54 54 ALA H H 1 8.75 0.03 . 1 . . . . . 54 ALA H . 27274 1 192 . 1 1 54 54 ALA CA C 13 49.66 0.20 . 1 . . . . . 54 ALA CA . 27274 1 193 . 1 1 54 54 ALA CB C 13 19.12 0.20 . 1 . . . . . 54 ALA CB . 27274 1 194 . 1 1 54 54 ALA N N 15 122.54 0.30 . 1 . . . . . 54 ALA N . 27274 1 195 . 1 1 55 55 VAL H H 1 9.17 0.03 . 1 . . . . . 55 VAL H . 27274 1 196 . 1 1 55 55 VAL CA C 13 60.27 0.20 . 1 . . . . . 55 VAL CA . 27274 1 197 . 1 1 55 55 VAL N N 15 122.60 0.30 . 1 . . . . . 55 VAL N . 27274 1 198 . 1 1 56 56 LYS H H 1 9.49 0.03 . 1 . . . . . 56 LYS H . 27274 1 199 . 1 1 56 56 LYS CA C 13 53.58 0.20 . 1 . . . . . 56 LYS CA . 27274 1 200 . 1 1 56 56 LYS CB C 13 34.21 0.20 . 1 . . . . . 56 LYS CB . 27274 1 201 . 1 1 56 56 LYS N N 15 129.20 0.30 . 1 . . . . . 56 LYS N . 27274 1 202 . 1 1 57 57 LYS H H 1 8.51 0.03 . 1 . . . . . 57 LYS H . 27274 1 203 . 1 1 57 57 LYS CA C 13 53.88 0.20 . 1 . . . . . 57 LYS CA . 27274 1 204 . 1 1 57 57 LYS CB C 13 33.34 0.20 . 1 . . . . . 57 LYS CB . 27274 1 205 . 1 1 57 57 LYS N N 15 128.37 0.30 . 1 . . . . . 57 LYS N . 27274 1 206 . 1 1 58 58 LEU H H 1 8.01 0.03 . 1 . . . . . 58 LEU H . 27274 1 207 . 1 1 58 58 LEU CA C 13 54.62 0.20 . 1 . . . . . 58 LEU CA . 27274 1 208 . 1 1 58 58 LEU CB C 13 39.30 0.20 . 1 . . . . . 58 LEU CB . 27274 1 209 . 1 1 58 58 LEU N N 15 128.49 0.30 . 1 . . . . . 58 LEU N . 27274 1 210 . 1 1 59 59 SER H H 1 7.97 0.03 . 1 . . . . . 59 SER H . 27274 1 211 . 1 1 59 59 SER CA C 13 56.73 0.20 . 1 . . . . . 59 SER CA . 27274 1 212 . 1 1 59 59 SER CB C 13 62.67 0.20 . 1 . . . . . 59 SER CB . 27274 1 213 . 1 1 59 59 SER N N 15 117.94 0.30 . 1 . . . . . 59 SER N . 27274 1 214 . 1 1 60 60 ARG H H 1 8.69 0.03 . 1 . . . . . 60 ARG H . 27274 1 215 . 1 1 60 60 ARG CA C 13 55.70 0.20 . 1 . . . . . 60 ARG CA . 27274 1 216 . 1 1 60 60 ARG CB C 13 28.59 0.20 . 1 . . . . . 60 ARG CB . 27274 1 217 . 1 1 60 60 ARG N N 15 123.25 0.30 . 1 . . . . . 60 ARG N . 27274 1 218 . 1 1 61 61 PRO CA C 13 63.84 0.20 . 1 . . . . . 61 PRO CA . 27274 1 219 . 1 1 62 62 PHE H H 1 7.85 0.03 . 1 . . . . . 62 PHE H . 27274 1 220 . 1 1 62 62 PHE CA C 13 53.95 0.20 . 1 . . . . . 62 PHE CA . 27274 1 221 . 1 1 62 62 PHE CB C 13 37.40 0.20 . 1 . . . . . 62 PHE CB . 27274 1 222 . 1 1 62 62 PHE N N 15 112.67 0.30 . 1 . . . . . 62 PHE N . 27274 1 223 . 1 1 63 63 GLN H H 1 6.99 0.03 . 1 . . . . . 63 GLN H . 27274 1 224 . 1 1 63 63 GLN CA C 13 57.09 0.20 . 1 . . . . . 63 GLN CA . 27274 1 225 . 1 1 63 63 GLN CB C 13 28.83 0.20 . 1 . . . . . 63 GLN CB . 27274 1 226 . 1 1 63 63 GLN N N 15 115.72 0.30 . 1 . . . . . 63 GLN N . 27274 1 227 . 1 1 64 64 SER H H 1 7.34 0.03 . 1 . . . . . 64 SER H . 27274 1 228 . 1 1 64 64 SER CA C 13 56.03 0.20 . 1 . . . . . 64 SER CA . 27274 1 229 . 1 1 64 64 SER CB C 13 65.95 0.20 . 1 . . . . . 64 SER CB . 27274 1 230 . 1 1 64 64 SER N N 15 110.22 0.30 . 1 . . . . . 64 SER N . 27274 1 231 . 1 1 65 65 ILE H H 1 9.14 0.03 . 1 . . . . . 65 ILE H . 27274 1 232 . 1 1 65 65 ILE CA C 13 65.23 0.20 . 1 . . . . . 65 ILE CA . 27274 1 233 . 1 1 65 65 ILE CB C 13 37.25 0.20 . 1 . . . . . 65 ILE CB . 27274 1 234 . 1 1 65 65 ILE N N 15 123.44 0.30 . 1 . . . . . 65 ILE N . 27274 1 235 . 1 1 66 66 ILE H H 1 7.56 0.03 . 1 . . . . . 66 ILE H . 27274 1 236 . 1 1 66 66 ILE CA C 13 63.80 0.20 . 1 . . . . . 66 ILE CA . 27274 1 237 . 1 1 66 66 ILE CB C 13 37.09 0.20 . 1 . . . . . 66 ILE CB . 27274 1 238 . 1 1 66 66 ILE N N 15 118.69 0.30 . 1 . . . . . 66 ILE N . 27274 1 239 . 1 1 67 67 HIS CA C 13 60.07 0.20 . 1 . . . . . 67 HIS CA . 27274 1 240 . 1 1 68 68 ALA H H 1 8.57 0.03 . 1 . . . . . 68 ALA H . 27274 1 241 . 1 1 68 68 ALA CA C 13 54.70 0.20 . 1 . . . . . 68 ALA CA . 27274 1 242 . 1 1 68 68 ALA CB C 13 18.49 0.20 . 1 . . . . . 68 ALA CB . 27274 1 243 . 1 1 68 68 ALA N N 15 123.82 0.30 . 1 . . . . . 68 ALA N . 27274 1 244 . 1 1 69 69 LYS H H 1 7.81 0.03 . 1 . . . . . 69 LYS H . 27274 1 245 . 1 1 69 69 LYS CA C 13 59.10 0.20 . 1 . . . . . 69 LYS CA . 27274 1 246 . 1 1 69 69 LYS CB C 13 31.35 0.20 . 1 . . . . . 69 LYS CB . 27274 1 247 . 1 1 69 69 LYS N N 15 118.50 0.30 . 1 . . . . . 69 LYS N . 27274 1 248 . 1 1 70 70 ARG H H 1 7.40 0.03 . 1 . . . . . 70 ARG H . 27274 1 249 . 1 1 70 70 ARG CA C 13 58.73 0.20 . 1 . . . . . 70 ARG CA . 27274 1 250 . 1 1 70 70 ARG CB C 13 28.71 0.20 . 1 . . . . . 70 ARG CB . 27274 1 251 . 1 1 70 70 ARG N N 15 119.14 0.30 . 1 . . . . . 70 ARG N . 27274 1 252 . 1 1 71 71 THR H H 1 8.33 0.03 . 1 . . . . . 71 THR H . 27274 1 253 . 1 1 71 71 THR CA C 13 66.59 0.20 . 1 . . . . . 71 THR CA . 27274 1 254 . 1 1 71 71 THR N N 15 119.92 0.30 . 1 . . . . . 71 THR N . 27274 1 255 . 1 1 72 72 TYR H H 1 7.54 0.03 . 1 . . . . . 72 TYR H . 27274 1 256 . 1 1 72 72 TYR CA C 13 62.25 0.20 . 1 . . . . . 72 TYR CA . 27274 1 257 . 1 1 72 72 TYR CB C 13 36.95 0.20 . 1 . . . . . 72 TYR CB . 27274 1 258 . 1 1 72 72 TYR N N 15 121.53 0.30 . 1 . . . . . 72 TYR N . 27274 1 259 . 1 1 81 81 MET CA C 13 55.20 0.20 . 1 . . . . . 81 MET CA . 27274 1 260 . 1 1 81 81 MET CB C 13 32.91 0.20 . 1 . . . . . 81 MET CB . 27274 1 261 . 1 1 82 82 LYS H H 1 8.45 0.03 . 1 . . . . . 82 LYS H . 27274 1 262 . 1 1 82 82 LYS CA C 13 54.10 0.20 . 1 . . . . . 82 LYS CA . 27274 1 263 . 1 1 82 82 LYS CB C 13 31.97 0.20 . 1 . . . . . 82 LYS CB . 27274 1 264 . 1 1 82 82 LYS N N 15 128.90 0.30 . 1 . . . . . 82 LYS N . 27274 1 265 . 1 1 83 83 HIS H H 1 8.63 0.03 . 1 . . . . . 83 HIS H . 27274 1 266 . 1 1 83 83 HIS CA C 13 56.65 0.20 . 1 . . . . . 83 HIS CA . 27274 1 267 . 1 1 83 83 HIS CB C 13 32.66 0.20 . 1 . . . . . 83 HIS CB . 27274 1 268 . 1 1 83 83 HIS N N 15 124.49 0.30 . 1 . . . . . 83 HIS N . 27274 1 269 . 1 1 84 84 GLU H H 1 7.94 0.03 . 1 . . . . . 84 GLU H . 27274 1 270 . 1 1 84 84 GLU CA C 13 59.10 0.20 . 1 . . . . . 84 GLU CA . 27274 1 271 . 1 1 84 84 GLU CB C 13 29.62 0.20 . 1 . . . . . 84 GLU CB . 27274 1 272 . 1 1 84 84 GLU N N 15 125.66 0.30 . 1 . . . . . 84 GLU N . 27274 1 273 . 1 1 85 85 ASN H H 1 11.38 0.03 . 1 . . . . . 85 ASN H . 27274 1 274 . 1 1 85 85 ASN CA C 13 53.13 0.20 . 1 . . . . . 85 ASN CA . 27274 1 275 . 1 1 85 85 ASN CB C 13 40.80 0.20 . 1 . . . . . 85 ASN CB . 27274 1 276 . 1 1 85 85 ASN N N 15 118.24 0.30 . 1 . . . . . 85 ASN N . 27274 1 277 . 1 1 86 86 VAL H H 1 7.64 0.03 . 1 . . . . . 86 VAL H . 27274 1 278 . 1 1 86 86 VAL CA C 13 61.05 0.20 . 1 . . . . . 86 VAL CA . 27274 1 279 . 1 1 86 86 VAL CB C 13 35.20 0.20 . 1 . . . . . 86 VAL CB . 27274 1 280 . 1 1 86 86 VAL N N 15 119.86 0.30 . 1 . . . . . 86 VAL N . 27274 1 281 . 1 1 87 87 ILE H H 1 8.31 0.03 . 1 . . . . . 87 ILE H . 27274 1 282 . 1 1 87 87 ILE CA C 13 60.92 0.20 . 1 . . . . . 87 ILE CA . 27274 1 283 . 1 1 87 87 ILE N N 15 129.47 0.30 . 1 . . . . . 87 ILE N . 27274 1 284 . 1 1 88 88 GLY H H 1 7.64 0.03 . 1 . . . . . 88 GLY H . 27274 1 285 . 1 1 88 88 GLY CA C 13 43.19 0.20 . 1 . . . . . 88 GLY CA . 27274 1 286 . 1 1 88 88 GLY N N 15 110.33 0.30 . 1 . . . . . 88 GLY N . 27274 1 287 . 1 1 89 89 LEU H H 1 8.25 0.03 . 1 . . . . . 89 LEU H . 27274 1 288 . 1 1 89 89 LEU CA C 13 54.01 0.20 . 1 . . . . . 89 LEU CA . 27274 1 289 . 1 1 89 89 LEU N N 15 121.14 0.30 . 1 . . . . . 89 LEU N . 27274 1 290 . 1 1 90 90 LEU H H 1 8.89 0.03 . 1 . . . . . 90 LEU H . 27274 1 291 . 1 1 90 90 LEU CA C 13 55.24 0.20 . 1 . . . . . 90 LEU CA . 27274 1 292 . 1 1 90 90 LEU CB C 13 42.17 0.20 . 1 . . . . . 90 LEU CB . 27274 1 293 . 1 1 90 90 LEU N N 15 126.72 0.30 . 1 . . . . . 90 LEU N . 27274 1 294 . 1 1 91 91 ASP CA C 13 52.50 0.20 . 1 . . . . . 91 ASP CA . 27274 1 295 . 1 1 91 91 ASP CB C 13 41.53 0.20 . 1 . . . . . 91 ASP CB . 27274 1 296 . 1 1 92 92 VAL H H 1 7.72 0.03 . 1 . . . . . 92 VAL H . 27274 1 297 . 1 1 92 92 VAL CA C 13 59.09 0.20 . 1 . . . . . 92 VAL CA . 27274 1 298 . 1 1 92 92 VAL CB C 13 32.83 0.20 . 1 . . . . . 92 VAL CB . 27274 1 299 . 1 1 92 92 VAL N N 15 120.59 0.30 . 1 . . . . . 92 VAL N . 27274 1 300 . 1 1 93 93 PHE H H 1 8.19 0.03 . 1 . . . . . 93 PHE H . 27274 1 301 . 1 1 93 93 PHE CA C 13 55.46 0.20 . 1 . . . . . 93 PHE CA . 27274 1 302 . 1 1 93 93 PHE CB C 13 41.09 0.20 . 1 . . . . . 93 PHE CB . 27274 1 303 . 1 1 93 93 PHE N N 15 119.05 0.30 . 1 . . . . . 93 PHE N . 27274 1 304 . 1 1 94 94 THR H H 1 8.88 0.03 . 1 . . . . . 94 THR H . 27274 1 305 . 1 1 94 94 THR CA C 13 56.92 0.20 . 1 . . . . . 94 THR CA . 27274 1 306 . 1 1 94 94 THR CB C 13 71.71 0.20 . 1 . . . . . 94 THR CB . 27274 1 307 . 1 1 94 94 THR N N 15 113.66 0.30 . 1 . . . . . 94 THR N . 27274 1 308 . 1 1 95 95 PRO CA C 13 62.09 0.20 . 1 . . . . . 95 PRO CA . 27274 1 309 . 1 1 95 95 PRO CB C 13 30.48 0.20 . 1 . . . . . 95 PRO CB . 27274 1 310 . 1 1 96 96 ALA H H 1 7.63 0.03 . 1 . . . . . 96 ALA H . 27274 1 311 . 1 1 96 96 ALA CA C 13 52.33 0.20 . 1 . . . . . 96 ALA CA . 27274 1 312 . 1 1 96 96 ALA CB C 13 19.96 0.20 . 1 . . . . . 96 ALA CB . 27274 1 313 . 1 1 96 96 ALA N N 15 122.43 0.30 . 1 . . . . . 96 ALA N . 27274 1 314 . 1 1 97 97 ARG H H 1 9.21 0.03 . 1 . . . . . 97 ARG H . 27274 1 315 . 1 1 97 97 ARG CA C 13 55.54 0.20 . 1 . . . . . 97 ARG CA . 27274 1 316 . 1 1 97 97 ARG CB C 13 29.48 0.20 . 1 . . . . . 97 ARG CB . 27274 1 317 . 1 1 97 97 ARG N N 15 121.30 0.30 . 1 . . . . . 97 ARG N . 27274 1 318 . 1 1 98 98 SER H H 1 7.31 0.03 . 1 . . . . . 98 SER H . 27274 1 319 . 1 1 98 98 SER CA C 13 56.16 0.20 . 1 . . . . . 98 SER CA . 27274 1 320 . 1 1 98 98 SER CB C 13 65.03 0.20 . 1 . . . . . 98 SER CB . 27274 1 321 . 1 1 98 98 SER N N 15 111.41 0.30 . 1 . . . . . 98 SER N . 27274 1 322 . 1 1 99 99 LEU H H 1 8.42 0.03 . 1 . . . . . 99 LEU H . 27274 1 323 . 1 1 99 99 LEU CA C 13 56.54 0.20 . 1 . . . . . 99 LEU CA . 27274 1 324 . 1 1 99 99 LEU CB C 13 40.41 0.20 . 1 . . . . . 99 LEU CB . 27274 1 325 . 1 1 99 99 LEU N N 15 122.91 0.30 . 1 . . . . . 99 LEU N . 27274 1 326 . 1 1 100 100 GLU H H 1 8.23 0.03 . 1 . . . . . 100 GLU H . 27274 1 327 . 1 1 100 100 GLU CA C 13 58.98 0.20 . 1 . . . . . 100 GLU CA . 27274 1 328 . 1 1 100 100 GLU CB C 13 28.03 0.20 . 1 . . . . . 100 GLU CB . 27274 1 329 . 1 1 100 100 GLU N N 15 117.38 0.30 . 1 . . . . . 100 GLU N . 27274 1 330 . 1 1 101 101 GLU H H 1 6.95 0.03 . 1 . . . . . 101 GLU H . 27274 1 331 . 1 1 101 101 GLU CA C 13 54.42 0.20 . 1 . . . . . 101 GLU CA . 27274 1 332 . 1 1 101 101 GLU CB C 13 30.25 0.20 . 1 . . . . . 101 GLU CB . 27274 1 333 . 1 1 101 101 GLU N N 15 115.47 0.30 . 1 . . . . . 101 GLU N . 27274 1 334 . 1 1 102 102 PHE H H 1 7.22 0.03 . 1 . . . . . 102 PHE H . 27274 1 335 . 1 1 102 102 PHE CA C 13 56.47 0.20 . 1 . . . . . 102 PHE CA . 27274 1 336 . 1 1 102 102 PHE CB C 13 37.96 0.20 . 1 . . . . . 102 PHE CB . 27274 1 337 . 1 1 102 102 PHE N N 15 122.25 0.30 . 1 . . . . . 102 PHE N . 27274 1 338 . 1 1 103 103 ASN H H 1 8.47 0.03 . 1 . . . . . 103 ASN H . 27274 1 339 . 1 1 103 103 ASN CA C 13 53.75 0.20 . 1 . . . . . 103 ASN CA . 27274 1 340 . 1 1 103 103 ASN CB C 13 41.46 0.20 . 1 . . . . . 103 ASN CB . 27274 1 341 . 1 1 103 103 ASN N N 15 125.56 0.30 . 1 . . . . . 103 ASN N . 27274 1 342 . 1 1 104 104 ASP H H 1 7.57 0.03 . 1 . . . . . 104 ASP H . 27274 1 343 . 1 1 104 104 ASP CA C 13 52.85 0.20 . 1 . . . . . 104 ASP CA . 27274 1 344 . 1 1 104 104 ASP CB C 13 43.99 0.20 . 1 . . . . . 104 ASP CB . 27274 1 345 . 1 1 104 104 ASP N N 15 115.89 0.30 . 1 . . . . . 104 ASP N . 27274 1 346 . 1 1 105 105 VAL H H 1 8.38 0.03 . 1 . . . . . 105 VAL H . 27274 1 347 . 1 1 105 105 VAL CA C 13 61.15 0.20 . 1 . . . . . 105 VAL CA . 27274 1 348 . 1 1 105 105 VAL CB C 13 35.09 0.20 . 1 . . . . . 105 VAL CB . 27274 1 349 . 1 1 105 105 VAL N N 15 121.21 0.30 . 1 . . . . . 105 VAL N . 27274 1 350 . 1 1 106 106 TYR H H 1 8.06 0.03 . 1 . . . . . 106 TYR H . 27274 1 351 . 1 1 106 106 TYR CA C 13 54.65 0.20 . 1 . . . . . 106 TYR CA . 27274 1 352 . 1 1 106 106 TYR CB C 13 39.19 0.20 . 1 . . . . . 106 TYR CB . 27274 1 353 . 1 1 106 106 TYR N N 15 124.73 0.30 . 1 . . . . . 106 TYR N . 27274 1 354 . 1 1 107 107 LEU H H 1 8.77 0.03 . 1 . . . . . 107 LEU H . 27274 1 355 . 1 1 107 107 LEU CA C 13 52.95 0.20 . 1 . . . . . 107 LEU CA . 27274 1 356 . 1 1 107 107 LEU CB C 13 43.59 0.20 . 1 . . . . . 107 LEU CB . 27274 1 357 . 1 1 107 107 LEU N N 15 119.46 0.30 . 1 . . . . . 107 LEU N . 27274 1 358 . 1 1 108 108 VAL CA C 13 60.52 0.20 . 1 . . . . . 108 VAL CA . 27274 1 359 . 1 1 109 109 THR H H 1 8.95 0.03 . 1 . . . . . 109 THR H . 27274 1 360 . 1 1 109 109 THR CA C 13 59.09 0.20 . 1 . . . . . 109 THR CA . 27274 1 361 . 1 1 109 109 THR CB C 13 72.72 0.20 . 1 . . . . . 109 THR CB . 27274 1 362 . 1 1 109 109 THR N N 15 118.20 0.30 . 1 . . . . . 109 THR N . 27274 1 363 . 1 1 110 110 HIS H H 1 8.82 0.03 . 1 . . . . . 110 HIS H . 27274 1 364 . 1 1 110 110 HIS CA C 13 58.46 0.20 . 1 . . . . . 110 HIS CA . 27274 1 365 . 1 1 110 110 HIS CB C 13 31.16 0.20 . 1 . . . . . 110 HIS CB . 27274 1 366 . 1 1 110 110 HIS N N 15 119.47 0.30 . 1 . . . . . 110 HIS N . 27274 1 367 . 1 1 111 111 LEU H H 1 8.12 0.03 . 1 . . . . . 111 LEU H . 27274 1 368 . 1 1 111 111 LEU CA C 13 53.91 0.20 . 1 . . . . . 111 LEU CA . 27274 1 369 . 1 1 111 111 LEU CB C 13 41.49 0.20 . 1 . . . . . 111 LEU CB . 27274 1 370 . 1 1 111 111 LEU N N 15 125.54 0.30 . 1 . . . . . 111 LEU N . 27274 1 371 . 1 1 112 112 MET CA C 13 54.37 0.20 . 1 . . . . . 112 MET CA . 27274 1 372 . 1 1 112 112 MET CB C 13 31.39 0.20 . 1 . . . . . 112 MET CB . 27274 1 373 . 1 1 113 113 GLY H H 1 8.10 0.03 . 1 . . . . . 113 GLY H . 27274 1 374 . 1 1 113 113 GLY CA C 13 45.86 0.20 . 1 . . . . . 113 GLY CA . 27274 1 375 . 1 1 113 113 GLY N N 15 108.71 0.30 . 1 . . . . . 113 GLY N . 27274 1 376 . 1 1 114 114 ALA H H 1 8.08 0.03 . 1 . . . . . 114 ALA H . 27274 1 377 . 1 1 114 114 ALA CA C 13 50.93 0.20 . 1 . . . . . 114 ALA CA . 27274 1 378 . 1 1 114 114 ALA CB C 13 21.10 0.20 . 1 . . . . . 114 ALA CB . 27274 1 379 . 1 1 114 114 ALA N N 15 123.13 0.30 . 1 . . . . . 114 ALA N . 27274 1 380 . 1 1 115 115 ASP H H 1 8.03 0.03 . 1 . . . . . 115 ASP H . 27274 1 381 . 1 1 115 115 ASP CA C 13 51.91 0.20 . 1 . . . . . 115 ASP CA . 27274 1 382 . 1 1 115 115 ASP CB C 13 42.13 0.20 . 1 . . . . . 115 ASP CB . 27274 1 383 . 1 1 115 115 ASP N N 15 118.11 0.30 . 1 . . . . . 115 ASP N . 27274 1 384 . 1 1 116 116 LEU CA C 13 56.66 0.20 . 1 . . . . . 116 LEU CA . 27274 1 385 . 1 1 117 117 ASN H H 1 7.69 0.03 . 1 . . . . . 117 ASN H . 27274 1 386 . 1 1 117 117 ASN CA C 13 55.40 0.20 . 1 . . . . . 117 ASN CA . 27274 1 387 . 1 1 117 117 ASN CB C 13 37.71 0.20 . 1 . . . . . 117 ASN CB . 27274 1 388 . 1 1 117 117 ASN N N 15 117.23 0.30 . 1 . . . . . 117 ASN N . 27274 1 389 . 1 1 118 118 ASN H H 1 7.89 0.03 . 1 . . . . . 118 ASN H . 27274 1 390 . 1 1 118 118 ASN CA C 13 55.70 0.20 . 1 . . . . . 118 ASN CA . 27274 1 391 . 1 1 118 118 ASN N N 15 118.17 0.30 . 1 . . . . . 118 ASN N . 27274 1 392 . 1 1 119 119 ILE CA C 13 63.31 0.20 . 1 . . . . . 119 ILE CA . 27274 1 393 . 1 1 120 120 VAL H H 1 7.59 0.03 . 1 . . . . . 120 VAL H . 27274 1 394 . 1 1 120 120 VAL CA C 13 64.01 0.20 . 1 . . . . . 120 VAL CA . 27274 1 395 . 1 1 120 120 VAL CB C 13 31.01 0.20 . 1 . . . . . 120 VAL CB . 27274 1 396 . 1 1 120 120 VAL N N 15 115.90 0.30 . 1 . . . . . 120 VAL N . 27274 1 397 . 1 1 121 121 LYS H H 1 7.15 0.03 . 1 . . . . . 121 LYS H . 27274 1 398 . 1 1 121 121 LYS CA C 13 57.28 0.20 . 1 . . . . . 121 LYS CA . 27274 1 399 . 1 1 121 121 LYS CB C 13 31.50 0.20 . 1 . . . . . 121 LYS CB . 27274 1 400 . 1 1 121 121 LYS N N 15 117.46 0.30 . 1 . . . . . 121 LYS N . 27274 1 401 . 1 1 122 122 CYS H H 1 7.43 0.03 . 1 . . . . . 122 CYS H . 27274 1 402 . 1 1 122 122 CYS CA C 13 58.88 0.20 . 1 . . . . . 122 CYS CA . 27274 1 403 . 1 1 122 122 CYS CB C 13 28.65 0.20 . 1 . . . . . 122 CYS CB . 27274 1 404 . 1 1 122 122 CYS N N 15 113.83 0.30 . 1 . . . . . 122 CYS N . 27274 1 405 . 1 1 123 123 GLN H H 1 7.99 0.03 . 1 . . . . . 123 GLN H . 27274 1 406 . 1 1 123 123 GLN CA C 13 54.53 0.20 . 1 . . . . . 123 GLN CA . 27274 1 407 . 1 1 123 123 GLN CB C 13 30.33 0.20 . 1 . . . . . 123 GLN CB . 27274 1 408 . 1 1 123 123 GLN N N 15 120.03 0.30 . 1 . . . . . 123 GLN N . 27274 1 409 . 1 1 124 124 LYS H H 1 8.25 0.03 . 1 . . . . . 124 LYS H . 27274 1 410 . 1 1 124 124 LYS CA C 13 54.70 0.20 . 1 . . . . . 124 LYS CA . 27274 1 411 . 1 1 124 124 LYS CB C 13 31.07 0.20 . 1 . . . . . 124 LYS CB . 27274 1 412 . 1 1 124 124 LYS N N 15 122.77 0.30 . 1 . . . . . 124 LYS N . 27274 1 413 . 1 1 125 125 LEU H H 1 8.67 0.03 . 1 . . . . . 125 LEU H . 27274 1 414 . 1 1 125 125 LEU CA C 13 53.81 0.20 . 1 . . . . . 125 LEU CA . 27274 1 415 . 1 1 125 125 LEU CB C 13 41.34 0.20 . 1 . . . . . 125 LEU CB . 27274 1 416 . 1 1 125 125 LEU N N 15 127.56 0.30 . 1 . . . . . 125 LEU N . 27274 1 417 . 1 1 126 126 THR CA C 13 60.70 0.20 . 1 . . . . . 126 THR CA . 27274 1 418 . 1 1 126 126 THR CB C 13 71.75 0.20 . 1 . . . . . 126 THR CB . 27274 1 419 . 1 1 127 127 ASP H H 1 9.10 0.03 . 1 . . . . . 127 ASP H . 27274 1 420 . 1 1 127 127 ASP CA C 13 58.00 0.20 . 1 . . . . . 127 ASP CA . 27274 1 421 . 1 1 127 127 ASP CB C 13 42.32 0.20 . 1 . . . . . 127 ASP CB . 27274 1 422 . 1 1 127 127 ASP N N 15 121.17 0.30 . 1 . . . . . 127 ASP N . 27274 1 423 . 1 1 128 128 ASP H H 1 7.76 0.03 . 1 . . . . . 128 ASP H . 27274 1 424 . 1 1 128 128 ASP CA C 13 57.28 0.20 . 1 . . . . . 128 ASP CA . 27274 1 425 . 1 1 128 128 ASP CB C 13 40.26 0.20 . 1 . . . . . 128 ASP CB . 27274 1 426 . 1 1 128 128 ASP N N 15 115.10 0.30 . 1 . . . . . 128 ASP N . 27274 1 427 . 1 1 130 130 VAL H H 1 8.06 0.03 . 1 . . . . . 130 VAL H . 27274 1 428 . 1 1 130 130 VAL CA C 13 68.15 0.20 . 1 . . . . . 130 VAL CA . 27274 1 429 . 1 1 130 130 VAL CB C 13 29.86 0.20 . 1 . . . . . 130 VAL CB . 27274 1 430 . 1 1 130 130 VAL N N 15 119.67 0.30 . 1 . . . . . 130 VAL N . 27274 1 431 . 1 1 131 131 GLN H H 1 8.46 0.03 . 1 . . . . . 131 GLN H . 27274 1 432 . 1 1 131 131 GLN CA C 13 58.93 0.20 . 1 . . . . . 131 GLN CA . 27274 1 433 . 1 1 131 131 GLN CB C 13 29.70 0.20 . 1 . . . . . 131 GLN CB . 27274 1 434 . 1 1 131 131 GLN N N 15 118.61 0.30 . 1 . . . . . 131 GLN N . 27274 1 435 . 1 1 132 132 PHE H H 1 7.24 0.03 . 1 . . . . . 132 PHE H . 27274 1 436 . 1 1 132 132 PHE CA C 13 57.87 0.20 . 1 . . . . . 132 PHE CA . 27274 1 437 . 1 1 132 132 PHE CB C 13 38.98 0.20 . 1 . . . . . 132 PHE CB . 27274 1 438 . 1 1 132 132 PHE N N 15 115.45 0.30 . 1 . . . . . 132 PHE N . 27274 1 439 . 1 1 133 133 LEU H H 1 8.87 0.03 . 1 . . . . . 133 LEU H . 27274 1 440 . 1 1 133 133 LEU CA C 13 58.10 0.20 . 1 . . . . . 133 LEU CA . 27274 1 441 . 1 1 133 133 LEU CB C 13 41.53 0.20 . 1 . . . . . 133 LEU CB . 27274 1 442 . 1 1 133 133 LEU N N 15 120.80 0.30 . 1 . . . . . 133 LEU N . 27274 1 443 . 1 1 135 135 TYR H H 1 8.90 0.03 . 1 . . . . . 135 TYR H . 27274 1 444 . 1 1 135 135 TYR CA C 13 51.34 0.20 . 1 . . . . . 135 TYR CA . 27274 1 445 . 1 1 135 135 TYR CB C 13 39.33 0.20 . 1 . . . . . 135 TYR CB . 27274 1 446 . 1 1 135 135 TYR N N 15 120.16 0.30 . 1 . . . . . 135 TYR N . 27274 1 447 . 1 1 136 136 GLN H H 1 8.47 0.03 . 1 . . . . . 136 GLN H . 27274 1 448 . 1 1 136 136 GLN CA C 13 51.22 0.20 . 1 . . . . . 136 GLN CA . 27274 1 449 . 1 1 136 136 GLN N N 15 116.32 0.30 . 1 . . . . . 136 GLN N . 27274 1 450 . 1 1 139 139 ARG CA C 13 59.95 0.20 . 1 . . . . . 139 ARG CA . 27274 1 451 . 1 1 139 139 ARG CB C 13 29.17 0.20 . 1 . . . . . 139 ARG CB . 27274 1 452 . 1 1 140 140 GLY H H 1 8.10 0.03 . 1 . . . . . 140 GLY H . 27274 1 453 . 1 1 140 140 GLY CA C 13 46.42 0.20 . 1 . . . . . 140 GLY CA . 27274 1 454 . 1 1 140 140 GLY N N 15 107.41 0.30 . 1 . . . . . 140 GLY N . 27274 1 455 . 1 1 141 141 LEU H H 1 8.62 0.03 . 1 . . . . . 141 LEU H . 27274 1 456 . 1 1 141 141 LEU CA C 13 56.33 0.20 . 1 . . . . . 141 LEU CA . 27274 1 457 . 1 1 141 141 LEU CB C 13 40.68 0.20 . 1 . . . . . 141 LEU CB . 27274 1 458 . 1 1 141 141 LEU N N 15 121.68 0.30 . 1 . . . . . 141 LEU N . 27274 1 459 . 1 1 142 142 LYS H H 1 8.59 0.03 . 1 . . . . . 142 LYS H . 27274 1 460 . 1 1 142 142 LYS CA C 13 59.37 0.20 . 1 . . . . . 142 LYS CA . 27274 1 461 . 1 1 142 142 LYS CB C 13 31.55 0.20 . 1 . . . . . 142 LYS CB . 27274 1 462 . 1 1 142 142 LYS N N 15 119.43 0.30 . 1 . . . . . 142 LYS N . 27274 1 463 . 1 1 143 143 TYR H H 1 6.74 0.03 . 1 . . . . . 143 TYR H . 27274 1 464 . 1 1 143 143 TYR CA C 13 61.30 0.20 . 1 . . . . . 143 TYR CA . 27274 1 465 . 1 1 143 143 TYR CB C 13 37.64 0.20 . 1 . . . . . 143 TYR CB . 27274 1 466 . 1 1 143 143 TYR N N 15 118.22 0.30 . 1 . . . . . 143 TYR N . 27274 1 467 . 1 1 144 144 ILE H H 1 8.42 0.03 . 1 . . . . . 144 ILE H . 27274 1 468 . 1 1 144 144 ILE CA C 13 66.40 0.20 . 1 . . . . . 144 ILE CA . 27274 1 469 . 1 1 144 144 ILE N N 15 120.69 0.30 . 1 . . . . . 144 ILE N . 27274 1 470 . 1 1 145 145 HIS H H 1 9.45 0.03 . 1 . . . . . 145 HIS H . 27274 1 471 . 1 1 145 145 HIS CA C 13 56.90 0.20 . 1 . . . . . 145 HIS CA . 27274 1 472 . 1 1 145 145 HIS CB C 13 30.34 0.20 . 1 . . . . . 145 HIS CB . 27274 1 473 . 1 1 145 145 HIS N N 15 119.68 0.30 . 1 . . . . . 145 HIS N . 27274 1 474 . 1 1 146 146 SER H H 1 7.78 0.03 . 1 . . . . . 146 SER H . 27274 1 475 . 1 1 146 146 SER CA C 13 60.82 0.20 . 1 . . . . . 146 SER CA . 27274 1 476 . 1 1 146 146 SER CB C 13 62.05 0.20 . 1 . . . . . 146 SER CB . 27274 1 477 . 1 1 146 146 SER N N 15 116.40 0.30 . 1 . . . . . 146 SER N . 27274 1 478 . 1 1 147 147 ALA H H 1 7.34 0.03 . 1 . . . . . 147 ALA H . 27274 1 479 . 1 1 147 147 ALA CA C 13 50.98 0.20 . 1 . . . . . 147 ALA CA . 27274 1 480 . 1 1 147 147 ALA CB C 13 17.20 0.20 . 1 . . . . . 147 ALA CB . 27274 1 481 . 1 1 147 147 ALA N N 15 126.41 0.30 . 1 . . . . . 147 ALA N . 27274 1 482 . 1 1 148 148 ASP H H 1 8.12 0.03 . 1 . . . . . 148 ASP H . 27274 1 483 . 1 1 148 148 ASP CA C 13 55.18 0.20 . 1 . . . . . 148 ASP CA . 27274 1 484 . 1 1 148 148 ASP CB C 13 38.48 0.20 . 1 . . . . . 148 ASP CB . 27274 1 485 . 1 1 148 148 ASP N N 15 115.31 0.30 . 1 . . . . . 148 ASP N . 27274 1 486 . 1 1 149 149 ILE H H 1 7.17 0.03 . 1 . . . . . 149 ILE H . 27274 1 487 . 1 1 149 149 ILE CA C 13 58.85 0.20 . 1 . . . . . 149 ILE CA . 27274 1 488 . 1 1 149 149 ILE CB C 13 38.44 0.20 . 1 . . . . . 149 ILE CB . 27274 1 489 . 1 1 149 149 ILE N N 15 119.27 0.30 . 1 . . . . . 149 ILE N . 27274 1 490 . 1 1 150 150 ILE H H 1 7.79 0.03 . 1 . . . . . 150 ILE H . 27274 1 491 . 1 1 150 150 ILE CA C 13 59.75 0.20 . 1 . . . . . 150 ILE CA . 27274 1 492 . 1 1 150 150 ILE N N 15 123.50 0.30 . 1 . . . . . 150 ILE N . 27274 1 493 . 1 1 151 151 HIS H H 1 7.33 0.03 . 1 . . . . . 151 HIS H . 27274 1 494 . 1 1 151 151 HIS CA C 13 62.48 0.20 . 1 . . . . . 151 HIS CA . 27274 1 495 . 1 1 151 151 HIS N N 15 121.10 0.30 . 1 . . . . . 151 HIS N . 27274 1 496 . 1 1 157 157 SER H H 1 7.71 0.03 . 1 . . . . . 157 SER H . 27274 1 497 . 1 1 157 157 SER CA C 13 59.22 0.20 . 1 . . . . . 157 SER CA . 27274 1 498 . 1 1 157 157 SER N N 15 106.83 0.30 . 1 . . . . . 157 SER N . 27274 1 499 . 1 1 158 158 ASN H H 1 7.70 0.03 . 1 . . . . . 158 ASN H . 27274 1 500 . 1 1 158 158 ASN CA C 13 52.29 0.20 . 1 . . . . . 158 ASN CA . 27274 1 501 . 1 1 158 158 ASN N N 15 118.69 0.30 . 1 . . . . . 158 ASN N . 27274 1 502 . 1 1 159 159 LEU H H 1 7.05 0.03 . 1 . . . . . 159 LEU H . 27274 1 503 . 1 1 159 159 LEU CA C 13 52.74 0.20 . 1 . . . . . 159 LEU CA . 27274 1 504 . 1 1 159 159 LEU N N 15 119.62 0.30 . 1 . . . . . 159 LEU N . 27274 1 505 . 1 1 160 160 ALA H H 1 8.43 0.03 . 1 . . . . . 160 ALA H . 27274 1 506 . 1 1 160 160 ALA CA C 13 50.21 0.20 . 1 . . . . . 160 ALA CA . 27274 1 507 . 1 1 160 160 ALA CB C 13 21.32 0.20 . 1 . . . . . 160 ALA CB . 27274 1 508 . 1 1 160 160 ALA N N 15 125.63 0.30 . 1 . . . . . 160 ALA N . 27274 1 509 . 1 1 161 161 VAL H H 1 8.07 0.03 . 1 . . . . . 161 VAL H . 27274 1 510 . 1 1 161 161 VAL CA C 13 58.70 0.20 . 1 . . . . . 161 VAL CA . 27274 1 511 . 1 1 161 161 VAL CB C 13 35.78 0.20 . 1 . . . . . 161 VAL CB . 27274 1 512 . 1 1 161 161 VAL N N 15 118.14 0.30 . 1 . . . . . 161 VAL N . 27274 1 513 . 1 1 162 162 ASN H H 1 7.79 0.03 . 1 . . . . . 162 ASN H . 27274 1 514 . 1 1 162 162 ASN CA C 13 49.94 0.20 . 1 . . . . . 162 ASN CA . 27274 1 515 . 1 1 162 162 ASN CB C 13 39.96 0.20 . 1 . . . . . 162 ASN CB . 27274 1 516 . 1 1 162 162 ASN N N 15 121.25 0.30 . 1 . . . . . 162 ASN N . 27274 1 517 . 1 1 163 163 GLU H H 1 8.57 0.03 . 1 . . . . . 163 GLU H . 27274 1 518 . 1 1 163 163 GLU CA C 13 58.52 0.20 . 1 . . . . . 163 GLU CA . 27274 1 519 . 1 1 163 163 GLU CB C 13 28.60 0.20 . 1 . . . . . 163 GLU CB . 27274 1 520 . 1 1 163 163 GLU N N 15 116.64 0.30 . 1 . . . . . 163 GLU N . 27274 1 521 . 1 1 164 164 ASP H H 1 7.32 0.03 . 1 . . . . . 164 ASP H . 27274 1 522 . 1 1 164 164 ASP CA C 13 53.58 0.20 . 1 . . . . . 164 ASP CA . 27274 1 523 . 1 1 164 164 ASP CB C 13 40.62 0.20 . 1 . . . . . 164 ASP CB . 27274 1 524 . 1 1 164 164 ASP N N 15 117.24 0.30 . 1 . . . . . 164 ASP N . 27274 1 525 . 1 1 165 165 CYS H H 1 8.35 0.03 . 1 . . . . . 165 CYS H . 27274 1 526 . 1 1 165 165 CYS CA C 13 60.99 0.20 . 1 . . . . . 165 CYS CA . 27274 1 527 . 1 1 165 165 CYS N N 15 114.74 0.30 . 1 . . . . . 165 CYS N . 27274 1 528 . 1 1 166 166 GLU H H 1 7.58 0.03 . 1 . . . . . 166 GLU H . 27274 1 529 . 1 1 166 166 GLU CA C 13 55.51 0.20 . 1 . . . . . 166 GLU CA . 27274 1 530 . 1 1 166 166 GLU CB C 13 28.08 0.20 . 1 . . . . . 166 GLU CB . 27274 1 531 . 1 1 166 166 GLU N N 15 118.78 0.30 . 1 . . . . . 166 GLU N . 27274 1 532 . 1 1 167 167 LEU H H 1 7.85 0.03 . 1 . . . . . 167 LEU H . 27274 1 533 . 1 1 167 167 LEU CA C 13 52.89 0.20 . 1 . . . . . 167 LEU CA . 27274 1 534 . 1 1 167 167 LEU CB C 13 45.29 0.20 . 1 . . . . . 167 LEU CB . 27274 1 535 . 1 1 167 167 LEU N N 15 125.84 0.30 . 1 . . . . . 167 LEU N . 27274 1 536 . 1 1 168 168 LYS H H 1 8.89 0.03 . 1 . . . . . 168 LYS H . 27274 1 537 . 1 1 168 168 LYS CA C 13 54.93 0.20 . 1 . . . . . 168 LYS CA . 27274 1 538 . 1 1 168 168 LYS CB C 13 37.46 0.20 . 1 . . . . . 168 LYS CB . 27274 1 539 . 1 1 168 168 LYS N N 15 122.78 0.30 . 1 . . . . . 168 LYS N . 27274 1 540 . 1 1 169 169 ILE H H 1 8.12 0.03 . 1 . . . . . 169 ILE H . 27274 1 541 . 1 1 169 169 ILE CA C 13 62.11 0.20 . 1 . . . . . 169 ILE CA . 27274 1 542 . 1 1 169 169 ILE CB C 13 38.76 0.20 . 1 . . . . . 169 ILE CB . 27274 1 543 . 1 1 169 169 ILE N N 15 122.18 0.30 . 1 . . . . . 169 ILE N . 27274 1 544 . 1 1 174 174 LEU CA C 13 54.45 0.20 . 1 . . . . . 174 LEU CA . 27274 1 545 . 1 1 175 175 ALA H H 1 8.00 0.03 . 1 . . . . . 175 ALA H . 27274 1 546 . 1 1 175 175 ALA CA C 13 59.66 0.20 . 1 . . . . . 175 ALA CA . 27274 1 547 . 1 1 175 175 ALA N N 15 119.30 0.30 . 1 . . . . . 175 ALA N . 27274 1 548 . 1 1 176 176 ARG H H 1 8.34 0.03 . 1 . . . . . 176 ARG H . 27274 1 549 . 1 1 176 176 ARG CA C 13 55.26 0.20 . 1 . . . . . 176 ARG CA . 27274 1 550 . 1 1 176 176 ARG CB C 13 37.37 0.20 . 1 . . . . . 176 ARG CB . 27274 1 551 . 1 1 176 176 ARG N N 15 117.10 0.30 . 1 . . . . . 176 ARG N . 27274 1 552 . 1 1 177 177 HIS CA C 13 59.01 0.20 . 1 . . . . . 177 HIS CA . 27274 1 553 . 1 1 178 178 THR H H 1 7.19 0.03 . 1 . . . . . 178 THR H . 27274 1 554 . 1 1 178 178 THR CA C 13 55.98 0.20 . 1 . . . . . 178 THR CA . 27274 1 555 . 1 1 178 178 THR N N 15 115.39 0.30 . 1 . . . . . 178 THR N . 27274 1 556 . 1 1 179 179 ASP CA C 13 54.70 0.20 . 1 . . . . . 179 ASP CA . 27274 1 557 . 1 1 180 180 ASP H H 1 8.07 0.03 . 1 . . . . . 180 ASP H . 27274 1 558 . 1 1 180 180 ASP CA C 13 54.37 0.20 . 1 . . . . . 180 ASP CA . 27274 1 559 . 1 1 180 180 ASP CB C 13 40.76 0.20 . 1 . . . . . 180 ASP CB . 27274 1 560 . 1 1 180 180 ASP N N 15 119.75 0.30 . 1 . . . . . 180 ASP N . 27274 1 561 . 1 1 181 181 GLU H H 1 8.09 0.03 . 1 . . . . . 181 GLU H . 27274 1 562 . 1 1 181 181 GLU CA C 13 56.77 0.20 . 1 . . . . . 181 GLU CA . 27274 1 563 . 1 1 181 181 GLU CB C 13 29.25 0.20 . 1 . . . . . 181 GLU CB . 27274 1 564 . 1 1 181 181 GLU N N 15 120.81 0.30 . 1 . . . . . 181 GLU N . 27274 1 565 . 1 1 182 182 MET H H 1 8.08 0.03 . 1 . . . . . 182 MET H . 27274 1 566 . 1 1 182 182 MET CA C 13 55.46 0.20 . 1 . . . . . 182 MET CA . 27274 1 567 . 1 1 182 182 MET N N 15 120.12 0.30 . 1 . . . . . 182 MET N . 27274 1 568 . 1 1 183 183 TPO H H 1 8.59 0.03 . 1 . . . . . 183 TPO H . 27274 1 569 . 1 1 183 183 TPO CA C 13 62.18 0.20 . 1 . . . . . 183 TPO CA . 27274 1 570 . 1 1 183 183 TPO CB C 13 69.28 0.20 . 1 . . . . . 183 TPO CB . 27274 1 571 . 1 1 183 183 TPO N N 15 113.86 0.30 . 1 . . . . . 183 TPO N . 27274 1 572 . 1 1 184 184 GLY H H 1 8.22 0.03 . 1 . . . . . 184 GLY H . 27274 1 573 . 1 1 184 184 GLY CA C 13 44.94 0.20 . 1 . . . . . 184 GLY CA . 27274 1 574 . 1 1 184 184 GLY N N 15 111.62 0.30 . 1 . . . . . 184 GLY N . 27274 1 575 . 1 1 185 185 PTR H H 1 7.72 0.03 . 1 . . . . . 185 PTR H . 27274 1 576 . 1 1 185 185 PTR CA C 13 57.93 0.20 . 1 . . . . . 185 PTR CA . 27274 1 577 . 1 1 185 185 PTR N N 15 121.56 0.30 . 1 . . . . . 185 PTR N . 27274 1 578 . 1 1 186 186 VAL H H 1 7.73 0.03 . 1 . . . . . 186 VAL H . 27274 1 579 . 1 1 186 186 VAL CA C 13 61.92 0.20 . 1 . . . . . 186 VAL CA . 27274 1 580 . 1 1 186 186 VAL N N 15 123.26 0.30 . 1 . . . . . 186 VAL N . 27274 1 581 . 1 1 191 191 TYR CA C 13 56.57 0.20 . 1 . . . . . 191 TYR CA . 27274 1 582 . 1 1 192 192 ARG H H 1 7.28 0.03 . 1 . . . . . 192 ARG H . 27274 1 583 . 1 1 192 192 ARG CA C 13 55.39 0.20 . 1 . . . . . 192 ARG CA . 27274 1 584 . 1 1 192 192 ARG CB C 13 30.93 0.20 . 1 . . . . . 192 ARG CB . 27274 1 585 . 1 1 192 192 ARG N N 15 122.58 0.30 . 1 . . . . . 192 ARG N . 27274 1 586 . 1 1 193 193 ALA H H 1 8.80 0.03 . 1 . . . . . 193 ALA H . 27274 1 587 . 1 1 193 193 ALA CA C 13 49.72 0.20 . 1 . . . . . 193 ALA CA . 27274 1 588 . 1 1 193 193 ALA N N 15 126.16 0.30 . 1 . . . . . 193 ALA N . 27274 1 589 . 1 1 197 197 MET CA C 13 59.16 0.20 . 1 . . . . . 197 MET CA . 27274 1 590 . 1 1 198 198 LEU H H 1 9.16 0.03 . 1 . . . . . 198 LEU H . 27274 1 591 . 1 1 198 198 LEU CA C 13 57.66 0.20 . 1 . . . . . 198 LEU CA . 27274 1 592 . 1 1 198 198 LEU CB C 13 41.22 0.20 . 1 . . . . . 198 LEU CB . 27274 1 593 . 1 1 198 198 LEU N N 15 126.40 0.30 . 1 . . . . . 198 LEU N . 27274 1 594 . 1 1 199 199 ASN H H 1 7.82 0.03 . 1 . . . . . 199 ASN H . 27274 1 595 . 1 1 199 199 ASN CA C 13 53.27 0.20 . 1 . . . . . 199 ASN CA . 27274 1 596 . 1 1 199 199 ASN CB C 13 40.21 0.20 . 1 . . . . . 199 ASN CB . 27274 1 597 . 1 1 199 199 ASN N N 15 115.40 0.30 . 1 . . . . . 199 ASN N . 27274 1 598 . 1 1 200 200 TRP H H 1 8.50 0.03 . 1 . . . . . 200 TRP H . 27274 1 599 . 1 1 200 200 TRP CA C 13 54.28 0.20 . 1 . . . . . 200 TRP CA . 27274 1 600 . 1 1 200 200 TRP CB C 13 27.80 0.20 . 1 . . . . . 200 TRP CB . 27274 1 601 . 1 1 200 200 TRP N N 15 125.22 0.30 . 1 . . . . . 200 TRP N . 27274 1 602 . 1 1 201 201 MET H H 1 8.58 0.03 . 1 . . . . . 201 MET H . 27274 1 603 . 1 1 201 201 MET CA C 13 61.80 0.20 . 1 . . . . . 201 MET CA . 27274 1 604 . 1 1 201 201 MET N N 15 119.89 0.30 . 1 . . . . . 201 MET N . 27274 1 605 . 1 1 202 202 HIS H H 1 7.09 0.03 . 1 . . . . . 202 HIS H . 27274 1 606 . 1 1 202 202 HIS CA C 13 59.11 0.20 . 1 . . . . . 202 HIS CA . 27274 1 607 . 1 1 202 202 HIS CB C 13 32.65 0.20 . 1 . . . . . 202 HIS CB . 27274 1 608 . 1 1 202 202 HIS N N 15 115.12 0.30 . 1 . . . . . 202 HIS N . 27274 1 609 . 1 1 203 203 TYR H H 1 10.05 0.03 . 1 . . . . . 203 TYR H . 27274 1 610 . 1 1 203 203 TYR CA C 13 52.50 0.20 . 1 . . . . . 203 TYR CA . 27274 1 611 . 1 1 203 203 TYR N N 15 127.16 0.30 . 1 . . . . . 203 TYR N . 27274 1 612 . 1 1 204 204 ASN H H 1 8.71 0.03 . 1 . . . . . 204 ASN H . 27274 1 613 . 1 1 204 204 ASN CA C 13 56.48 0.20 . 1 . . . . . 204 ASN CA . 27274 1 614 . 1 1 204 204 ASN CB C 13 41.06 0.20 . 1 . . . . . 204 ASN CB . 27274 1 615 . 1 1 204 204 ASN N N 15 124.76 0.30 . 1 . . . . . 204 ASN N . 27274 1 616 . 1 1 206 206 THR H H 1 8.29 0.03 . 1 . . . . . 206 THR H . 27274 1 617 . 1 1 206 206 THR CA C 13 58.96 0.20 . 1 . . . . . 206 THR CA . 27274 1 618 . 1 1 206 206 THR N N 15 115.47 0.30 . 1 . . . . . 206 THR N . 27274 1 619 . 1 1 208 208 ASP CA C 13 56.40 0.20 . 1 . . . . . 208 ASP CA . 27274 1 620 . 1 1 209 209 ILE H H 1 7.22 0.03 . 1 . . . . . 209 ILE H . 27274 1 621 . 1 1 209 209 ILE CA C 13 60.59 0.20 . 1 . . . . . 209 ILE CA . 27274 1 622 . 1 1 209 209 ILE CB C 13 34.30 0.20 . 1 . . . . . 209 ILE CB . 27274 1 623 . 1 1 209 209 ILE N N 15 119.34 0.30 . 1 . . . . . 209 ILE N . 27274 1 624 . 1 1 210 210 TRP H H 1 7.44 0.03 . 1 . . . . . 210 TRP H . 27274 1 625 . 1 1 210 210 TRP CA C 13 61.02 0.20 . 1 . . . . . 210 TRP CA . 27274 1 626 . 1 1 210 210 TRP CB C 13 27.80 0.20 . 1 . . . . . 210 TRP CB . 27274 1 627 . 1 1 210 210 TRP N N 15 121.02 0.30 . 1 . . . . . 210 TRP N . 27274 1 628 . 1 1 211 211 SER H H 1 7.52 0.03 . 1 . . . . . 211 SER H . 27274 1 629 . 1 1 211 211 SER CA C 13 61.91 0.20 . 1 . . . . . 211 SER CA . 27274 1 630 . 1 1 211 211 SER CB C 13 63.04 0.20 . 1 . . . . . 211 SER CB . 27274 1 631 . 1 1 211 211 SER N N 15 112.68 0.30 . 1 . . . . . 211 SER N . 27274 1 632 . 1 1 212 212 VAL H H 1 7.95 0.03 . 1 . . . . . 212 VAL H . 27274 1 633 . 1 1 212 212 VAL CA C 13 67.16 0.20 . 1 . . . . . 212 VAL CA . 27274 1 634 . 1 1 212 212 VAL CB C 13 29.90 0.20 . 1 . . . . . 212 VAL CB . 27274 1 635 . 1 1 212 212 VAL N N 15 120.06 0.30 . 1 . . . . . 212 VAL N . 27274 1 636 . 1 1 213 213 GLY H H 1 8.45 0.03 . 1 . . . . . 213 GLY H . 27274 1 637 . 1 1 213 213 GLY CA C 13 47.60 0.20 . 1 . . . . . 213 GLY CA . 27274 1 638 . 1 1 213 213 GLY N N 15 110.42 0.30 . 1 . . . . . 213 GLY N . 27274 1 639 . 1 1 214 214 CYS H H 1 7.81 0.03 . 1 . . . . . 214 CYS H . 27274 1 640 . 1 1 214 214 CYS CA C 13 63.52 0.20 . 1 . . . . . 214 CYS CA . 27274 1 641 . 1 1 214 214 CYS CB C 13 27.44 0.20 . 1 . . . . . 214 CYS CB . 27274 1 642 . 1 1 214 214 CYS N N 15 119.33 0.30 . 1 . . . . . 214 CYS N . 27274 1 643 . 1 1 215 215 ILE H H 1 8.43 0.03 . 1 . . . . . 215 ILE H . 27274 1 644 . 1 1 215 215 ILE CA C 13 65.44 0.20 . 1 . . . . . 215 ILE CA . 27274 1 645 . 1 1 215 215 ILE CB C 13 37.41 0.20 . 1 . . . . . 215 ILE CB . 27274 1 646 . 1 1 215 215 ILE N N 15 124.03 0.30 . 1 . . . . . 215 ILE N . 27274 1 647 . 1 1 216 216 MET H H 1 9.26 0.03 . 1 . . . . . 216 MET H . 27274 1 648 . 1 1 216 216 MET CA C 13 60.12 0.20 . 1 . . . . . 216 MET CA . 27274 1 649 . 1 1 216 216 MET CB C 13 30.68 0.20 . 1 . . . . . 216 MET CB . 27274 1 650 . 1 1 216 216 MET N N 15 120.58 0.30 . 1 . . . . . 216 MET N . 27274 1 651 . 1 1 217 217 ALA H H 1 8.03 0.03 . 1 . . . . . 217 ALA H . 27274 1 652 . 1 1 217 217 ALA CA C 13 54.94 0.20 . 1 . . . . . 217 ALA CA . 27274 1 653 . 1 1 217 217 ALA CB C 13 19.99 0.20 . 1 . . . . . 217 ALA CB . 27274 1 654 . 1 1 217 217 ALA N N 15 118.24 0.30 . 1 . . . . . 217 ALA N . 27274 1 655 . 1 1 218 218 GLU H H 1 7.01 0.03 . 1 . . . . . 218 GLU H . 27274 1 656 . 1 1 218 218 GLU CA C 13 57.85 0.20 . 1 . . . . . 218 GLU CA . 27274 1 657 . 1 1 218 218 GLU CB C 13 29.21 0.20 . 1 . . . . . 218 GLU CB . 27274 1 658 . 1 1 218 218 GLU N N 15 120.22 0.30 . 1 . . . . . 218 GLU N . 27274 1 659 . 1 1 219 219 LEU H H 1 7.22 0.03 . 1 . . . . . 219 LEU H . 27274 1 660 . 1 1 219 219 LEU CA C 13 57.02 0.20 . 1 . . . . . 219 LEU CA . 27274 1 661 . 1 1 219 219 LEU CB C 13 41.98 0.20 . 1 . . . . . 219 LEU CB . 27274 1 662 . 1 1 219 219 LEU N N 15 116.40 0.30 . 1 . . . . . 219 LEU N . 27274 1 663 . 1 1 220 220 LEU H H 1 8.45 0.03 . 1 . . . . . 220 LEU H . 27274 1 664 . 1 1 220 220 LEU CA C 13 56.66 0.20 . 1 . . . . . 220 LEU CA . 27274 1 665 . 1 1 220 220 LEU CB C 13 39.93 0.20 . 1 . . . . . 220 LEU CB . 27274 1 666 . 1 1 220 220 LEU N N 15 118.57 0.30 . 1 . . . . . 220 LEU N . 27274 1 667 . 1 1 221 221 THR H H 1 7.93 0.03 . 1 . . . . . 221 THR H . 27274 1 668 . 1 1 221 221 THR CA C 13 61.74 0.20 . 1 . . . . . 221 THR CA . 27274 1 669 . 1 1 221 221 THR CB C 13 71.00 0.20 . 1 . . . . . 221 THR CB . 27274 1 670 . 1 1 221 221 THR N N 15 106.36 0.30 . 1 . . . . . 221 THR N . 27274 1 671 . 1 1 222 222 GLY H H 1 8.45 0.03 . 1 . . . . . 222 GLY H . 27274 1 672 . 1 1 222 222 GLY CA C 13 45.13 0.20 . 1 . . . . . 222 GLY CA . 27274 1 673 . 1 1 222 222 GLY N N 15 112.84 0.30 . 1 . . . . . 222 GLY N . 27274 1 674 . 1 1 223 223 ARG H H 1 8.01 0.03 . 1 . . . . . 223 ARG H . 27274 1 675 . 1 1 223 223 ARG CA C 13 53.57 0.20 . 1 . . . . . 223 ARG CA . 27274 1 676 . 1 1 223 223 ARG CB C 13 31.89 0.20 . 1 . . . . . 223 ARG CB . 27274 1 677 . 1 1 223 223 ARG N N 15 119.50 0.30 . 1 . . . . . 223 ARG N . 27274 1 678 . 1 1 224 224 THR H H 1 7.87 0.03 . 1 . . . . . 224 THR H . 27274 1 679 . 1 1 224 224 THR CA C 13 63.31 0.20 . 1 . . . . . 224 THR CA . 27274 1 680 . 1 1 224 224 THR CB C 13 68.28 0.20 . 1 . . . . . 224 THR CB . 27274 1 681 . 1 1 224 224 THR N N 15 120.03 0.30 . 1 . . . . . 224 THR N . 27274 1 682 . 1 1 225 225 LEU H H 1 7.77 0.03 . 1 . . . . . 225 LEU H . 27274 1 683 . 1 1 225 225 LEU CA C 13 52.66 0.20 . 1 . . . . . 225 LEU CA . 27274 1 684 . 1 1 225 225 LEU CB C 13 40.84 0.20 . 1 . . . . . 225 LEU CB . 27274 1 685 . 1 1 225 225 LEU N N 15 117.88 0.30 . 1 . . . . . 225 LEU N . 27274 1 686 . 1 1 227 227 PRO CA C 13 60.46 0.20 . 1 . . . . . 227 PRO CA . 27274 1 687 . 1 1 227 227 PRO CB C 13 26.73 0.20 . 1 . . . . . 227 PRO CB . 27274 1 688 . 1 1 228 228 GLY H H 1 8.30 0.03 . 1 . . . . . 228 GLY H . 27274 1 689 . 1 1 228 228 GLY CA C 13 45.09 0.20 . 1 . . . . . 228 GLY CA . 27274 1 690 . 1 1 228 228 GLY N N 15 114.01 0.30 . 1 . . . . . 228 GLY N . 27274 1 691 . 1 1 229 229 THR H H 1 10.06 0.03 . 1 . . . . . 229 THR H . 27274 1 692 . 1 1 229 229 THR CA C 13 63.23 0.20 . 1 . . . . . 229 THR CA . 27274 1 693 . 1 1 229 229 THR N N 15 116.96 0.30 . 1 . . . . . 229 THR N . 27274 1 694 . 1 1 230 230 ASP H H 1 8.60 0.03 . 1 . . . . . 230 ASP H . 27274 1 695 . 1 1 230 230 ASP CA C 13 57.59 0.20 . 1 . . . . . 230 ASP CA . 27274 1 696 . 1 1 230 230 ASP N N 15 130.84 0.30 . 1 . . . . . 230 ASP N . 27274 1 697 . 1 1 231 231 HIS H H 1 8.49 0.03 . 1 . . . . . 231 HIS H . 27274 1 698 . 1 1 231 231 HIS CA C 13 51.74 0.20 . 1 . . . . . 231 HIS CA . 27274 1 699 . 1 1 231 231 HIS CB C 13 40.03 0.20 . 1 . . . . . 231 HIS CB . 27274 1 700 . 1 1 231 231 HIS N N 15 114.38 0.30 . 1 . . . . . 231 HIS N . 27274 1 701 . 1 1 239 239 LEU CA C 13 57.51 0.20 . 1 . . . . . 239 LEU CA . 27274 1 702 . 1 1 239 239 LEU CB C 13 41.38 0.20 . 1 . . . . . 239 LEU CB . 27274 1 703 . 1 1 240 240 ARG H H 1 8.12 0.03 . 1 . . . . . 240 ARG H . 27274 1 704 . 1 1 240 240 ARG CA C 13 58.91 0.20 . 1 . . . . . 240 ARG CA . 27274 1 705 . 1 1 240 240 ARG CB C 13 31.73 0.20 . 1 . . . . . 240 ARG CB . 27274 1 706 . 1 1 240 240 ARG N N 15 116.99 0.30 . 1 . . . . . 240 ARG N . 27274 1 707 . 1 1 241 241 LEU H H 1 7.53 0.03 . 1 . . . . . 241 LEU H . 27274 1 708 . 1 1 241 241 LEU CA C 13 57.19 0.20 . 1 . . . . . 241 LEU CA . 27274 1 709 . 1 1 241 241 LEU CB C 13 40.42 0.20 . 1 . . . . . 241 LEU CB . 27274 1 710 . 1 1 241 241 LEU N N 15 117.81 0.30 . 1 . . . . . 241 LEU N . 27274 1 711 . 1 1 242 242 VAL H H 1 8.45 0.03 . 1 . . . . . 242 VAL H . 27274 1 712 . 1 1 242 242 VAL CA C 13 59.98 0.20 . 1 . . . . . 242 VAL CA . 27274 1 713 . 1 1 242 242 VAL N N 15 122.58 0.30 . 1 . . . . . 242 VAL N . 27274 1 714 . 1 1 243 243 GLY CA C 13 44.89 0.20 . 1 . . . . . 243 GLY CA . 27274 1 715 . 1 1 244 244 THR H H 1 7.75 0.03 . 1 . . . . . 244 THR H . 27274 1 716 . 1 1 244 244 THR CA C 13 59.08 0.20 . 1 . . . . . 244 THR CA . 27274 1 717 . 1 1 244 244 THR N N 15 121.19 0.30 . 1 . . . . . 244 THR N . 27274 1 718 . 1 1 245 245 PRO CA C 13 62.31 0.20 . 1 . . . . . 245 PRO CA . 27274 1 719 . 1 1 245 245 PRO CB C 13 31.94 0.20 . 1 . . . . . 245 PRO CB . 27274 1 720 . 1 1 246 246 GLY H H 1 8.22 0.03 . 1 . . . . . 246 GLY H . 27274 1 721 . 1 1 246 246 GLY CA C 13 43.30 0.20 . 1 . . . . . 246 GLY CA . 27274 1 722 . 1 1 246 246 GLY N N 15 108.68 0.30 . 1 . . . . . 246 GLY N . 27274 1 723 . 1 1 247 247 ALA H H 1 8.30 0.03 . 1 . . . . . 247 ALA H . 27274 1 724 . 1 1 247 247 ALA CA C 13 54.81 0.20 . 1 . . . . . 247 ALA CA . 27274 1 725 . 1 1 247 247 ALA CB C 13 18.07 0.20 . 1 . . . . . 247 ALA CB . 27274 1 726 . 1 1 247 247 ALA N N 15 121.46 0.30 . 1 . . . . . 247 ALA N . 27274 1 727 . 1 1 248 248 GLU H H 1 8.52 0.03 . 1 . . . . . 248 GLU H . 27274 1 728 . 1 1 248 248 GLU CA C 13 58.69 0.20 . 1 . . . . . 248 GLU CA . 27274 1 729 . 1 1 248 248 GLU CB C 13 27.86 0.20 . 1 . . . . . 248 GLU CB . 27274 1 730 . 1 1 248 248 GLU N N 15 116.14 0.30 . 1 . . . . . 248 GLU N . 27274 1 731 . 1 1 249 249 LEU H H 1 7.41 0.03 . 1 . . . . . 249 LEU H . 27274 1 732 . 1 1 249 249 LEU CA C 13 56.45 0.20 . 1 . . . . . 249 LEU CA . 27274 1 733 . 1 1 249 249 LEU CB C 13 40.35 0.20 . 1 . . . . . 249 LEU CB . 27274 1 734 . 1 1 249 249 LEU N N 15 120.46 0.30 . 1 . . . . . 249 LEU N . 27274 1 735 . 1 1 250 250 LEU H H 1 7.83 0.03 . 1 . . . . . 250 LEU H . 27274 1 736 . 1 1 250 250 LEU CA C 13 57.45 0.20 . 1 . . . . . 250 LEU CA . 27274 1 737 . 1 1 250 250 LEU CB C 13 41.14 0.20 . 1 . . . . . 250 LEU CB . 27274 1 738 . 1 1 250 250 LEU N N 15 118.35 0.30 . 1 . . . . . 250 LEU N . 27274 1 739 . 1 1 251 251 LYS H H 1 7.54 0.03 . 1 . . . . . 251 LYS H . 27274 1 740 . 1 1 251 251 LYS CA C 13 55.61 0.20 . 1 . . . . . 251 LYS CA . 27274 1 741 . 1 1 251 251 LYS N N 15 120.18 0.30 . 1 . . . . . 251 LYS N . 27274 1 742 . 1 1 252 252 LYS H H 1 7.45 0.03 . 1 . . . . . 252 LYS H . 27274 1 743 . 1 1 252 252 LYS CA C 13 55.48 0.20 . 1 . . . . . 252 LYS CA . 27274 1 744 . 1 1 252 252 LYS N N 15 120.99 0.30 . 1 . . . . . 252 LYS N . 27274 1 745 . 1 1 256 256 GLU CA C 13 59.27 0.20 . 1 . . . . . 256 GLU CA . 27274 1 746 . 1 1 257 257 SER H H 1 8.30 0.03 . 1 . . . . . 257 SER H . 27274 1 747 . 1 1 257 257 SER CA C 13 60.60 0.20 . 1 . . . . . 257 SER CA . 27274 1 748 . 1 1 257 257 SER N N 15 114.30 0.30 . 1 . . . . . 257 SER N . 27274 1 749 . 1 1 258 258 ALA H H 1 7.63 0.03 . 1 . . . . . 258 ALA H . 27274 1 750 . 1 1 258 258 ALA CA C 13 54.34 0.20 . 1 . . . . . 258 ALA CA . 27274 1 751 . 1 1 258 258 ALA CB C 13 18.22 0.20 . 1 . . . . . 258 ALA CB . 27274 1 752 . 1 1 258 258 ALA N N 15 125.80 0.30 . 1 . . . . . 258 ALA N . 27274 1 753 . 1 1 259 259 ARG H H 1 8.79 0.03 . 1 . . . . . 259 ARG H . 27274 1 754 . 1 1 259 259 ARG CA C 13 54.95 0.20 . 1 . . . . . 259 ARG CA . 27274 1 755 . 1 1 259 259 ARG CB C 13 29.80 0.20 . 1 . . . . . 259 ARG CB . 27274 1 756 . 1 1 259 259 ARG N N 15 126.38 0.30 . 1 . . . . . 259 ARG N . 27274 1 757 . 1 1 262 262 ILE CA C 13 62.91 0.20 . 1 . . . . . 262 ILE CA . 27274 1 758 . 1 1 263 263 GLN H H 1 7.97 0.03 . 1 . . . . . 263 GLN H . 27274 1 759 . 1 1 263 263 GLN CA C 13 57.68 0.20 . 1 . . . . . 263 GLN CA . 27274 1 760 . 1 1 263 263 GLN CB C 13 28.22 0.20 . 1 . . . . . 263 GLN CB . 27274 1 761 . 1 1 263 263 GLN N N 15 118.13 0.30 . 1 . . . . . 263 GLN N . 27274 1 762 . 1 1 264 264 SER H H 1 7.36 0.03 . 1 . . . . . 264 SER H . 27274 1 763 . 1 1 264 264 SER CA C 13 58.97 0.20 . 1 . . . . . 264 SER CA . 27274 1 764 . 1 1 264 264 SER CB C 13 63.29 0.20 . 1 . . . . . 264 SER CB . 27274 1 765 . 1 1 264 264 SER N N 15 113.99 0.30 . 1 . . . . . 264 SER N . 27274 1 766 . 1 1 265 265 LEU H H 1 6.80 0.03 . 1 . . . . . 265 LEU H . 27274 1 767 . 1 1 265 265 LEU CA C 13 53.97 0.20 . 1 . . . . . 265 LEU CA . 27274 1 768 . 1 1 265 265 LEU N N 15 123.00 0.30 . 1 . . . . . 265 LEU N . 27274 1 769 . 1 1 266 266 THR CA C 13 63.22 0.20 . 1 . . . . . 266 THR CA . 27274 1 770 . 1 1 267 267 GLN H H 1 8.44 0.03 . 1 . . . . . 267 GLN H . 27274 1 771 . 1 1 267 267 GLN CA C 13 56.50 0.20 . 1 . . . . . 267 GLN CA . 27274 1 772 . 1 1 267 267 GLN N N 15 126.83 0.30 . 1 . . . . . 267 GLN N . 27274 1 773 . 1 1 268 268 MET H H 1 8.69 0.03 . 1 . . . . . 268 MET H . 27274 1 774 . 1 1 268 268 MET CB C 13 32.36 0.20 . 1 . . . . . 268 MET CB . 27274 1 775 . 1 1 268 268 MET N N 15 123.87 0.30 . 1 . . . . . 268 MET N . 27274 1 776 . 1 1 269 269 PRO CA C 13 61.20 0.20 . 1 . . . . . 269 PRO CA . 27274 1 777 . 1 1 270 270 LYS H H 1 8.21 0.03 . 1 . . . . . 270 LYS H . 27274 1 778 . 1 1 270 270 LYS CA C 13 56.33 0.20 . 1 . . . . . 270 LYS CA . 27274 1 779 . 1 1 270 270 LYS CB C 13 32.02 0.20 . 1 . . . . . 270 LYS CB . 27274 1 780 . 1 1 270 270 LYS N N 15 120.52 0.30 . 1 . . . . . 270 LYS N . 27274 1 781 . 1 1 271 271 MET H H 1 8.34 0.03 . 1 . . . . . 271 MET H . 27274 1 782 . 1 1 271 271 MET CA C 13 55.58 0.20 . 1 . . . . . 271 MET CA . 27274 1 783 . 1 1 271 271 MET CB C 13 32.50 0.20 . 1 . . . . . 271 MET CB . 27274 1 784 . 1 1 271 271 MET N N 15 126.19 0.30 . 1 . . . . . 271 MET N . 27274 1 785 . 1 1 272 272 ASN H H 1 8.50 0.03 . 1 . . . . . 272 ASN H . 27274 1 786 . 1 1 272 272 ASN CA C 13 52.50 0.20 . 1 . . . . . 272 ASN CA . 27274 1 787 . 1 1 272 272 ASN CB C 13 37.25 0.20 . 1 . . . . . 272 ASN CB . 27274 1 788 . 1 1 272 272 ASN N N 15 120.40 0.30 . 1 . . . . . 272 ASN N . 27274 1 789 . 1 1 273 273 PHE H H 1 9.32 0.03 . 1 . . . . . 273 PHE H . 27274 1 790 . 1 1 273 273 PHE CA C 13 59.51 0.20 . 1 . . . . . 273 PHE CA . 27274 1 791 . 1 1 273 273 PHE CB C 13 36.88 0.20 . 1 . . . . . 273 PHE CB . 27274 1 792 . 1 1 273 273 PHE N N 15 129.90 0.30 . 1 . . . . . 273 PHE N . 27274 1 793 . 1 1 274 274 ALA H H 1 8.47 0.03 . 1 . . . . . 274 ALA H . 27274 1 794 . 1 1 274 274 ALA CA C 13 54.22 0.20 . 1 . . . . . 274 ALA CA . 27274 1 795 . 1 1 274 274 ALA CB C 13 16.61 0.20 . 1 . . . . . 274 ALA CB . 27274 1 796 . 1 1 274 274 ALA N N 15 122.36 0.30 . 1 . . . . . 274 ALA N . 27274 1 797 . 1 1 275 275 ASN H H 1 7.40 0.03 . 1 . . . . . 275 ASN H . 27274 1 798 . 1 1 275 275 ASN CA C 13 53.31 0.20 . 1 . . . . . 275 ASN CA . 27274 1 799 . 1 1 275 275 ASN CB C 13 38.15 0.20 . 1 . . . . . 275 ASN CB . 27274 1 800 . 1 1 275 275 ASN N N 15 112.92 0.30 . 1 . . . . . 275 ASN N . 27274 1 801 . 1 1 276 276 VAL H H 1 7.13 0.03 . 1 . . . . . 276 VAL H . 27274 1 802 . 1 1 276 276 VAL CA C 13 63.95 0.20 . 1 . . . . . 276 VAL CA . 27274 1 803 . 1 1 276 276 VAL CB C 13 32.30 0.20 . 1 . . . . . 276 VAL CB . 27274 1 804 . 1 1 276 276 VAL N N 15 120.10 0.30 . 1 . . . . . 276 VAL N . 27274 1 805 . 1 1 277 277 PHE H H 1 7.53 0.03 . 1 . . . . . 277 PHE H . 27274 1 806 . 1 1 277 277 PHE CA C 13 55.58 0.20 . 1 . . . . . 277 PHE CA . 27274 1 807 . 1 1 277 277 PHE CB C 13 36.37 0.20 . 1 . . . . . 277 PHE CB . 27274 1 808 . 1 1 277 277 PHE N N 15 120.87 0.30 . 1 . . . . . 277 PHE N . 27274 1 809 . 1 1 278 278 ILE H H 1 6.83 0.03 . 1 . . . . . 278 ILE H . 27274 1 810 . 1 1 278 278 ILE CA C 13 61.91 0.20 . 1 . . . . . 278 ILE CA . 27274 1 811 . 1 1 278 278 ILE CB C 13 36.42 0.20 . 1 . . . . . 278 ILE CB . 27274 1 812 . 1 1 278 278 ILE N N 15 121.03 0.30 . 1 . . . . . 278 ILE N . 27274 1 813 . 1 1 279 279 GLY H H 1 8.95 0.03 . 1 . . . . . 279 GLY H . 27274 1 814 . 1 1 279 279 GLY CA C 13 44.58 0.20 . 1 . . . . . 279 GLY CA . 27274 1 815 . 1 1 279 279 GLY N N 15 116.42 0.30 . 1 . . . . . 279 GLY N . 27274 1 816 . 1 1 280 280 ALA H H 1 7.33 0.03 . 1 . . . . . 280 ALA H . 27274 1 817 . 1 1 280 280 ALA CA C 13 50.75 0.20 . 1 . . . . . 280 ALA CA . 27274 1 818 . 1 1 280 280 ALA CB C 13 18.82 0.20 . 1 . . . . . 280 ALA CB . 27274 1 819 . 1 1 280 280 ALA N N 15 122.03 0.30 . 1 . . . . . 280 ALA N . 27274 1 820 . 1 1 281 281 ASN H H 1 9.09 0.03 . 1 . . . . . 281 ASN H . 27274 1 821 . 1 1 281 281 ASN CA C 13 50.76 0.20 . 1 . . . . . 281 ASN CA . 27274 1 822 . 1 1 281 281 ASN CB C 13 38.50 0.20 . 1 . . . . . 281 ASN CB . 27274 1 823 . 1 1 281 281 ASN N N 15 123.16 0.30 . 1 . . . . . 281 ASN N . 27274 1 824 . 1 1 282 282 PRO CA C 13 64.77 0.20 . 1 . . . . . 282 PRO CA . 27274 1 825 . 1 1 282 282 PRO CB C 13 31.45 0.20 . 1 . . . . . 282 PRO CB . 27274 1 826 . 1 1 283 283 LEU H H 1 8.36 0.03 . 1 . . . . . 283 LEU H . 27274 1 827 . 1 1 283 283 LEU CA C 13 56.68 0.20 . 1 . . . . . 283 LEU CA . 27274 1 828 . 1 1 283 283 LEU CB C 13 41.87 0.20 . 1 . . . . . 283 LEU CB . 27274 1 829 . 1 1 283 283 LEU N N 15 117.03 0.30 . 1 . . . . . 283 LEU N . 27274 1 830 . 1 1 284 284 ALA H H 1 7.00 0.03 . 1 . . . . . 284 ALA H . 27274 1 831 . 1 1 284 284 ALA CA C 13 53.58 0.20 . 1 . . . . . 284 ALA CA . 27274 1 832 . 1 1 284 284 ALA CB C 13 16.96 0.20 . 1 . . . . . 284 ALA CB . 27274 1 833 . 1 1 284 284 ALA N N 15 121.18 0.30 . 1 . . . . . 284 ALA N . 27274 1 834 . 1 1 285 285 VAL H H 1 6.99 0.03 . 1 . . . . . 285 VAL H . 27274 1 835 . 1 1 285 285 VAL CA C 13 66.36 0.20 . 1 . . . . . 285 VAL CA . 27274 1 836 . 1 1 285 285 VAL CB C 13 30.51 0.20 . 1 . . . . . 285 VAL CB . 27274 1 837 . 1 1 285 285 VAL N N 15 116.43 0.30 . 1 . . . . . 285 VAL N . 27274 1 838 . 1 1 286 286 ASP H H 1 7.42 0.03 . 1 . . . . . 286 ASP H . 27274 1 839 . 1 1 286 286 ASP CA C 13 57.34 0.20 . 1 . . . . . 286 ASP CA . 27274 1 840 . 1 1 286 286 ASP CB C 13 42.85 0.20 . 1 . . . . . 286 ASP CB . 27274 1 841 . 1 1 286 286 ASP N N 15 117.99 0.30 . 1 . . . . . 286 ASP N . 27274 1 842 . 1 1 287 287 LEU H H 1 7.01 0.03 . 1 . . . . . 287 LEU H . 27274 1 843 . 1 1 287 287 LEU CA C 13 57.25 0.20 . 1 . . . . . 287 LEU CA . 27274 1 844 . 1 1 287 287 LEU CB C 13 38.99 0.20 . 1 . . . . . 287 LEU CB . 27274 1 845 . 1 1 287 287 LEU N N 15 117.55 0.30 . 1 . . . . . 287 LEU N . 27274 1 846 . 1 1 288 288 LEU H H 1 8.03 0.03 . 1 . . . . . 288 LEU H . 27274 1 847 . 1 1 288 288 LEU CA C 13 58.44 0.20 . 1 . . . . . 288 LEU CA . 27274 1 848 . 1 1 288 288 LEU CB C 13 40.82 0.20 . 1 . . . . . 288 LEU CB . 27274 1 849 . 1 1 288 288 LEU N N 15 120.38 0.30 . 1 . . . . . 288 LEU N . 27274 1 850 . 1 1 289 289 GLU H H 1 7.87 0.03 . 1 . . . . . 289 GLU H . 27274 1 851 . 1 1 289 289 GLU CA C 13 58.19 0.20 . 1 . . . . . 289 GLU CA . 27274 1 852 . 1 1 289 289 GLU CB C 13 28.08 0.20 . 1 . . . . . 289 GLU CB . 27274 1 853 . 1 1 289 289 GLU N N 15 117.48 0.30 . 1 . . . . . 289 GLU N . 27274 1 854 . 1 1 290 290 LYS H H 1 7.26 0.03 . 1 . . . . . 290 LYS H . 27274 1 855 . 1 1 290 290 LYS CA C 13 56.83 0.20 . 1 . . . . . 290 LYS CA . 27274 1 856 . 1 1 290 290 LYS CB C 13 31.94 0.20 . 1 . . . . . 290 LYS CB . 27274 1 857 . 1 1 290 290 LYS N N 15 116.36 0.30 . 1 . . . . . 290 LYS N . 27274 1 858 . 1 1 291 291 MET H H 1 7.47 0.03 . 1 . . . . . 291 MET H . 27274 1 859 . 1 1 291 291 MET CA C 13 58.17 0.20 . 1 . . . . . 291 MET CA . 27274 1 860 . 1 1 291 291 MET CB C 13 34.16 0.20 . 1 . . . . . 291 MET CB . 27274 1 861 . 1 1 291 291 MET N N 15 118.36 0.30 . 1 . . . . . 291 MET N . 27274 1 862 . 1 1 292 292 LEU H H 1 7.79 0.03 . 1 . . . . . 292 LEU H . 27274 1 863 . 1 1 292 292 LEU CA C 13 59.06 0.20 . 1 . . . . . 292 LEU CA . 27274 1 864 . 1 1 292 292 LEU CB C 13 38.17 0.20 . 1 . . . . . 292 LEU CB . 27274 1 865 . 1 1 292 292 LEU N N 15 119.00 0.30 . 1 . . . . . 292 LEU N . 27274 1 866 . 1 1 296 296 SER CA C 13 60.98 0.20 . 1 . . . . . 296 SER CA . 27274 1 867 . 1 1 297 297 ASP H H 1 8.40 0.03 . 1 . . . . . 297 ASP H . 27274 1 868 . 1 1 297 297 ASP CA C 13 56.08 0.20 . 1 . . . . . 297 ASP CA . 27274 1 869 . 1 1 297 297 ASP CB C 13 40.24 0.20 . 1 . . . . . 297 ASP CB . 27274 1 870 . 1 1 297 297 ASP N N 15 121.09 0.30 . 1 . . . . . 297 ASP N . 27274 1 871 . 1 1 298 298 LYS H H 1 7.54 0.03 . 1 . . . . . 298 LYS H . 27274 1 872 . 1 1 298 298 LYS CA C 13 54.39 0.20 . 1 . . . . . 298 LYS CA . 27274 1 873 . 1 1 298 298 LYS CB C 13 32.42 0.20 . 1 . . . . . 298 LYS CB . 27274 1 874 . 1 1 298 298 LYS N N 15 117.64 0.30 . 1 . . . . . 298 LYS N . 27274 1 875 . 1 1 299 299 ARG H H 1 7.00 0.03 . 1 . . . . . 299 ARG H . 27274 1 876 . 1 1 299 299 ARG CA C 13 57.03 0.20 . 1 . . . . . 299 ARG CA . 27274 1 877 . 1 1 299 299 ARG CB C 13 29.61 0.20 . 1 . . . . . 299 ARG CB . 27274 1 878 . 1 1 299 299 ARG N N 15 122.76 0.30 . 1 . . . . . 299 ARG N . 27274 1 879 . 1 1 300 300 ILE H H 1 6.95 0.03 . 1 . . . . . 300 ILE H . 27274 1 880 . 1 1 300 300 ILE CA C 13 61.98 0.20 . 1 . . . . . 300 ILE CA . 27274 1 881 . 1 1 300 300 ILE CB C 13 39.27 0.20 . 1 . . . . . 300 ILE CB . 27274 1 882 . 1 1 300 300 ILE N N 15 125.28 0.30 . 1 . . . . . 300 ILE N . 27274 1 883 . 1 1 301 301 THR H H 1 7.32 0.03 . 1 . . . . . 301 THR H . 27274 1 884 . 1 1 301 301 THR CA C 13 59.89 0.20 . 1 . . . . . 301 THR CA . 27274 1 885 . 1 1 301 301 THR CB C 13 70.71 0.20 . 1 . . . . . 301 THR CB . 27274 1 886 . 1 1 301 301 THR N N 15 109.36 0.30 . 1 . . . . . 301 THR N . 27274 1 887 . 1 1 302 302 ALA H H 1 9.41 0.03 . 1 . . . . . 302 ALA H . 27274 1 888 . 1 1 302 302 ALA CA C 13 55.86 0.20 . 1 . . . . . 302 ALA CA . 27274 1 889 . 1 1 302 302 ALA CB C 13 16.00 0.20 . 1 . . . . . 302 ALA CB . 27274 1 890 . 1 1 302 302 ALA N N 15 122.15 0.30 . 1 . . . . . 302 ALA N . 27274 1 891 . 1 1 303 303 ALA H H 1 8.52 0.03 . 1 . . . . . 303 ALA H . 27274 1 892 . 1 1 303 303 ALA CA C 13 54.83 0.20 . 1 . . . . . 303 ALA CA . 27274 1 893 . 1 1 303 303 ALA CB C 13 17.54 0.20 . 1 . . . . . 303 ALA CB . 27274 1 894 . 1 1 303 303 ALA N N 15 116.26 0.30 . 1 . . . . . 303 ALA N . 27274 1 895 . 1 1 304 304 GLN H H 1 7.35 0.03 . 1 . . . . . 304 GLN H . 27274 1 896 . 1 1 304 304 GLN CA C 13 57.68 0.20 . 1 . . . . . 304 GLN CA . 27274 1 897 . 1 1 304 304 GLN CB C 13 28.02 0.20 . 1 . . . . . 304 GLN CB . 27274 1 898 . 1 1 304 304 GLN N N 15 116.04 0.30 . 1 . . . . . 304 GLN N . 27274 1 899 . 1 1 305 305 ALA H H 1 8.62 0.03 . 1 . . . . . 305 ALA H . 27274 1 900 . 1 1 305 305 ALA CA C 13 54.60 0.20 . 1 . . . . . 305 ALA CA . 27274 1 901 . 1 1 305 305 ALA CB C 13 18.50 0.20 . 1 . . . . . 305 ALA CB . 27274 1 902 . 1 1 305 305 ALA N N 15 123.90 0.30 . 1 . . . . . 305 ALA N . 27274 1 903 . 1 1 306 306 LEU H H 1 7.58 0.03 . 1 . . . . . 306 LEU H . 27274 1 904 . 1 1 306 306 LEU CA C 13 57.33 0.20 . 1 . . . . . 306 LEU CA . 27274 1 905 . 1 1 306 306 LEU CB C 13 41.00 0.20 . 1 . . . . . 306 LEU CB . 27274 1 906 . 1 1 306 306 LEU N N 15 116.80 0.30 . 1 . . . . . 306 LEU N . 27274 1 907 . 1 1 307 307 ALA H H 1 6.61 0.03 . 1 . . . . . 307 ALA H . 27274 1 908 . 1 1 307 307 ALA CA C 13 50.65 0.20 . 1 . . . . . 307 ALA CA . 27274 1 909 . 1 1 307 307 ALA CB C 13 18.16 0.20 . 1 . . . . . 307 ALA CB . 27274 1 910 . 1 1 307 307 ALA N N 15 115.57 0.30 . 1 . . . . . 307 ALA N . 27274 1 911 . 1 1 308 308 HIS H H 1 7.89 0.03 . 1 . . . . . 308 HIS H . 27274 1 912 . 1 1 308 308 HIS CA C 13 58.40 0.20 . 1 . . . . . 308 HIS CA . 27274 1 913 . 1 1 308 308 HIS CB C 13 32.17 0.20 . 1 . . . . . 308 HIS CB . 27274 1 914 . 1 1 308 308 HIS N N 15 122.65 0.30 . 1 . . . . . 308 HIS N . 27274 1 915 . 1 1 309 309 ALA H H 1 8.30 0.03 . 1 . . . . . 309 ALA H . 27274 1 916 . 1 1 309 309 ALA CA C 13 54.92 0.20 . 1 . . . . . 309 ALA CA . 27274 1 917 . 1 1 309 309 ALA CB C 13 18.37 0.20 . 1 . . . . . 309 ALA CB . 27274 1 918 . 1 1 309 309 ALA N N 15 132.97 0.30 . 1 . . . . . 309 ALA N . 27274 1 919 . 1 1 310 310 TYR H H 1 11.61 0.03 . 1 . . . . . 310 TYR H . 27274 1 920 . 1 1 310 310 TYR CA C 13 59.79 0.20 . 1 . . . . . 310 TYR CA . 27274 1 921 . 1 1 310 310 TYR CB C 13 38.24 0.20 . 1 . . . . . 310 TYR CB . 27274 1 922 . 1 1 310 310 TYR N N 15 125.18 0.30 . 1 . . . . . 310 TYR N . 27274 1 923 . 1 1 311 311 PHE H H 1 7.62 0.03 . 1 . . . . . 311 PHE H . 27274 1 924 . 1 1 311 311 PHE CA C 13 55.54 0.20 . 1 . . . . . 311 PHE CA . 27274 1 925 . 1 1 311 311 PHE CB C 13 38.22 0.20 . 1 . . . . . 311 PHE CB . 27274 1 926 . 1 1 311 311 PHE N N 15 110.61 0.30 . 1 . . . . . 311 PHE N . 27274 1 927 . 1 1 312 312 ALA H H 1 7.49 0.03 . 1 . . . . . 312 ALA H . 27274 1 928 . 1 1 312 312 ALA CA C 13 55.49 0.20 . 1 . . . . . 312 ALA CA . 27274 1 929 . 1 1 312 312 ALA CB C 13 18.13 0.20 . 1 . . . . . 312 ALA CB . 27274 1 930 . 1 1 312 312 ALA N N 15 123.92 0.30 . 1 . . . . . 312 ALA N . 27274 1 931 . 1 1 313 313 GLN H H 1 8.53 0.03 . 1 . . . . . 313 GLN H . 27274 1 932 . 1 1 313 313 GLN CA C 13 56.85 0.20 . 1 . . . . . 313 GLN CA . 27274 1 933 . 1 1 313 313 GLN CB C 13 27.57 0.20 . 1 . . . . . 313 GLN CB . 27274 1 934 . 1 1 313 313 GLN N N 15 113.72 0.30 . 1 . . . . . 313 GLN N . 27274 1 935 . 1 1 314 314 TYR H H 1 7.35 0.03 . 1 . . . . . 314 TYR H . 27274 1 936 . 1 1 314 314 TYR CA C 13 58.23 0.20 . 1 . . . . . 314 TYR CA . 27274 1 937 . 1 1 314 314 TYR CB C 13 39.94 0.20 . 1 . . . . . 314 TYR CB . 27274 1 938 . 1 1 314 314 TYR N N 15 115.13 0.30 . 1 . . . . . 314 TYR N . 27274 1 939 . 1 1 315 315 HIS H H 1 7.80 0.03 . 1 . . . . . 315 HIS H . 27274 1 940 . 1 1 315 315 HIS CA C 13 55.57 0.20 . 1 . . . . . 315 HIS CA . 27274 1 941 . 1 1 315 315 HIS CB C 13 28.85 0.20 . 1 . . . . . 315 HIS CB . 27274 1 942 . 1 1 315 315 HIS N N 15 115.80 0.30 . 1 . . . . . 315 HIS N . 27274 1 943 . 1 1 316 316 ASP H H 1 7.36 0.03 . 1 . . . . . 316 ASP H . 27274 1 944 . 1 1 316 316 ASP CA C 13 50.50 0.20 . 1 . . . . . 316 ASP CA . 27274 1 945 . 1 1 316 316 ASP CB C 13 41.49 0.20 . 1 . . . . . 316 ASP CB . 27274 1 946 . 1 1 316 316 ASP N N 15 124.79 0.30 . 1 . . . . . 316 ASP N . 27274 1 947 . 1 1 317 317 PRO CA C 13 63.89 0.20 . 1 . . . . . 317 PRO CA . 27274 1 948 . 1 1 317 317 PRO CB C 13 31.17 0.20 . 1 . . . . . 317 PRO CB . 27274 1 949 . 1 1 318 318 ASP H H 1 7.85 0.03 . 1 . . . . . 318 ASP H . 27274 1 950 . 1 1 318 318 ASP CA C 13 54.90 0.20 . 1 . . . . . 318 ASP CA . 27274 1 951 . 1 1 318 318 ASP CB C 13 40.24 0.20 . 1 . . . . . 318 ASP CB . 27274 1 952 . 1 1 318 318 ASP N N 15 117.09 0.30 . 1 . . . . . 318 ASP N . 27274 1 953 . 1 1 319 319 ASP H H 1 7.94 0.03 . 1 . . . . . 319 ASP H . 27274 1 954 . 1 1 319 319 ASP CA C 13 52.18 0.20 . 1 . . . . . 319 ASP CA . 27274 1 955 . 1 1 319 319 ASP CB C 13 41.78 0.20 . 1 . . . . . 319 ASP CB . 27274 1 956 . 1 1 319 319 ASP N N 15 120.95 0.30 . 1 . . . . . 319 ASP N . 27274 1 957 . 1 1 320 320 GLU H H 1 7.76 0.03 . 1 . . . . . 320 GLU H . 27274 1 958 . 1 1 320 320 GLU CA C 13 53.25 0.20 . 1 . . . . . 320 GLU CA . 27274 1 959 . 1 1 320 320 GLU CB C 13 28.82 0.20 . 1 . . . . . 320 GLU CB . 27274 1 960 . 1 1 320 320 GLU N N 15 121.63 0.30 . 1 . . . . . 320 GLU N . 27274 1 961 . 1 1 321 321 PRO CA C 13 63.22 0.20 . 1 . . . . . 321 PRO CA . 27274 1 962 . 1 1 322 322 VAL H H 1 7.78 0.03 . 1 . . . . . 322 VAL H . 27274 1 963 . 1 1 322 322 VAL CA C 13 59.25 0.20 . 1 . . . . . 322 VAL CA . 27274 1 964 . 1 1 322 322 VAL CB C 13 33.35 0.20 . 1 . . . . . 322 VAL CB . 27274 1 965 . 1 1 322 322 VAL N N 15 108.68 0.30 . 1 . . . . . 322 VAL N . 27274 1 966 . 1 1 323 323 ALA H H 1 8.41 0.03 . 1 . . . . . 323 ALA H . 27274 1 967 . 1 1 323 323 ALA CA C 13 50.52 0.20 . 1 . . . . . 323 ALA CA . 27274 1 968 . 1 1 323 323 ALA CB C 13 19.38 0.20 . 1 . . . . . 323 ALA CB . 27274 1 969 . 1 1 323 323 ALA N N 15 123.47 0.30 . 1 . . . . . 323 ALA N . 27274 1 970 . 1 1 324 324 ASP H H 1 8.01 0.03 . 1 . . . . . 324 ASP H . 27274 1 971 . 1 1 324 324 ASP CA C 13 52.66 0.20 . 1 . . . . . 324 ASP CA . 27274 1 972 . 1 1 324 324 ASP CB C 13 38.80 0.20 . 1 . . . . . 324 ASP CB . 27274 1 973 . 1 1 324 324 ASP N N 15 121.06 0.30 . 1 . . . . . 324 ASP N . 27274 1 974 . 1 1 326 326 TYR CA C 13 58.82 0.20 . 1 . . . . . 326 TYR CA . 27274 1 975 . 1 1 327 327 ASP H H 1 6.90 0.03 . 1 . . . . . 327 ASP H . 27274 1 976 . 1 1 327 327 ASP CA C 13 53.88 0.20 . 1 . . . . . 327 ASP CA . 27274 1 977 . 1 1 327 327 ASP CB C 13 41.10 0.20 . 1 . . . . . 327 ASP CB . 27274 1 978 . 1 1 327 327 ASP N N 15 123.00 0.30 . 1 . . . . . 327 ASP N . 27274 1 979 . 1 1 331 331 GLU H H 1 9.79 0.03 . 1 . . . . . 331 GLU H . 27274 1 980 . 1 1 331 331 GLU CA C 13 58.24 0.20 . 1 . . . . . 331 GLU CA . 27274 1 981 . 1 1 331 331 GLU N N 15 114.74 0.30 . 1 . . . . . 331 GLU N . 27274 1 982 . 1 1 332 332 SER H H 1 7.39 0.03 . 1 . . . . . 332 SER H . 27274 1 983 . 1 1 332 332 SER CA C 13 57.77 0.20 . 1 . . . . . 332 SER CA . 27274 1 984 . 1 1 332 332 SER CB C 13 62.78 0.20 . 1 . . . . . 332 SER CB . 27274 1 985 . 1 1 332 332 SER N N 15 111.91 0.30 . 1 . . . . . 332 SER N . 27274 1 986 . 1 1 333 333 ARG H H 1 7.55 0.03 . 1 . . . . . 333 ARG H . 27274 1 987 . 1 1 333 333 ARG CA C 13 55.87 0.20 . 1 . . . . . 333 ARG CA . 27274 1 988 . 1 1 333 333 ARG CB C 13 30.30 0.20 . 1 . . . . . 333 ARG CB . 27274 1 989 . 1 1 333 333 ARG N N 15 121.97 0.30 . 1 . . . . . 333 ARG N . 27274 1 990 . 1 1 334 334 ASP H H 1 8.49 0.03 . 1 . . . . . 334 ASP H . 27274 1 991 . 1 1 334 334 ASP CA C 13 53.04 0.20 . 1 . . . . . 334 ASP CA . 27274 1 992 . 1 1 334 334 ASP CB C 13 40.45 0.20 . 1 . . . . . 334 ASP CB . 27274 1 993 . 1 1 334 334 ASP N N 15 124.61 0.30 . 1 . . . . . 334 ASP N . 27274 1 994 . 1 1 335 335 LEU H H 1 7.73 0.03 . 1 . . . . . 335 LEU H . 27274 1 995 . 1 1 335 335 LEU CA C 13 52.42 0.20 . 1 . . . . . 335 LEU CA . 27274 1 996 . 1 1 335 335 LEU CB C 13 41.14 0.20 . 1 . . . . . 335 LEU CB . 27274 1 997 . 1 1 335 335 LEU N N 15 123.12 0.30 . 1 . . . . . 335 LEU N . 27274 1 998 . 1 1 336 336 LEU H H 1 8.69 0.03 . 1 . . . . . 336 LEU H . 27274 1 999 . 1 1 336 336 LEU CA C 13 53.65 0.20 . 1 . . . . . 336 LEU CA . 27274 1 1000 . 1 1 336 336 LEU CB C 13 41.32 0.20 . 1 . . . . . 336 LEU CB . 27274 1 1001 . 1 1 336 336 LEU N N 15 119.87 0.30 . 1 . . . . . 336 LEU N . 27274 1 1002 . 1 1 337 337 ILE H H 1 8.89 0.03 . 1 . . . . . 337 ILE H . 27274 1 1003 . 1 1 337 337 ILE CA C 13 66.56 0.20 . 1 . . . . . 337 ILE CA . 27274 1 1004 . 1 1 337 337 ILE CB C 13 37.49 0.20 . 1 . . . . . 337 ILE CB . 27274 1 1005 . 1 1 337 337 ILE N N 15 121.75 0.30 . 1 . . . . . 337 ILE N . 27274 1 1006 . 1 1 338 338 ASP H H 1 8.31 0.03 . 1 . . . . . 338 ASP H . 27274 1 1007 . 1 1 338 338 ASP CA C 13 56.86 0.20 . 1 . . . . . 338 ASP CA . 27274 1 1008 . 1 1 338 338 ASP CB C 13 39.53 0.20 . 1 . . . . . 338 ASP CB . 27274 1 1009 . 1 1 338 338 ASP N N 15 115.96 0.30 . 1 . . . . . 338 ASP N . 27274 1 1010 . 1 1 339 339 GLU H H 1 7.03 0.03 . 1 . . . . . 339 GLU H . 27274 1 1011 . 1 1 339 339 GLU CA C 13 58.09 0.20 . 1 . . . . . 339 GLU CA . 27274 1 1012 . 1 1 339 339 GLU CB C 13 29.21 0.20 . 1 . . . . . 339 GLU CB . 27274 1 1013 . 1 1 339 339 GLU N N 15 120.53 0.30 . 1 . . . . . 339 GLU N . 27274 1 1014 . 1 1 340 340 TRP H H 1 7.62 0.03 . 1 . . . . . 340 TRP H . 27274 1 1015 . 1 1 340 340 TRP CA C 13 59.78 0.20 . 1 . . . . . 340 TRP CA . 27274 1 1016 . 1 1 340 340 TRP CB C 13 29.88 0.20 . 1 . . . . . 340 TRP CB . 27274 1 1017 . 1 1 340 340 TRP N N 15 119.63 0.30 . 1 . . . . . 340 TRP N . 27274 1 1018 . 1 1 341 341 LYS H H 1 8.68 0.03 . 1 . . . . . 341 LYS H . 27274 1 1019 . 1 1 341 341 LYS CA C 13 59.99 0.20 . 1 . . . . . 341 LYS CA . 27274 1 1020 . 1 1 341 341 LYS CB C 13 31.36 0.20 . 1 . . . . . 341 LYS CB . 27274 1 1021 . 1 1 341 341 LYS N N 15 121.44 0.30 . 1 . . . . . 341 LYS N . 27274 1 1022 . 1 1 342 342 SER H H 1 7.57 0.03 . 1 . . . . . 342 SER H . 27274 1 1023 . 1 1 342 342 SER CA C 13 60.86 0.20 . 1 . . . . . 342 SER CA . 27274 1 1024 . 1 1 342 342 SER CB C 13 61.88 0.20 . 1 . . . . . 342 SER CB . 27274 1 1025 . 1 1 342 342 SER N N 15 114.64 0.30 . 1 . . . . . 342 SER N . 27274 1 1026 . 1 1 343 343 LEU H H 1 7.87 0.03 . 1 . . . . . 343 LEU H . 27274 1 1027 . 1 1 343 343 LEU CA C 13 57.28 0.20 . 1 . . . . . 343 LEU CA . 27274 1 1028 . 1 1 343 343 LEU CB C 13 41.18 0.20 . 1 . . . . . 343 LEU CB . 27274 1 1029 . 1 1 343 343 LEU N N 15 120.42 0.30 . 1 . . . . . 343 LEU N . 27274 1 1030 . 1 1 344 344 THR CA C 13 67.98 0.20 . 1 . . . . . 344 THR CA . 27274 1 1031 . 1 1 345 345 TYR H H 1 8.74 0.03 . 1 . . . . . 345 TYR H . 27274 1 1032 . 1 1 345 345 TYR CA C 13 61.65 0.20 . 1 . . . . . 345 TYR CA . 27274 1 1033 . 1 1 345 345 TYR CB C 13 37.28 0.20 . 1 . . . . . 345 TYR CB . 27274 1 1034 . 1 1 345 345 TYR N N 15 124.93 0.30 . 1 . . . . . 345 TYR N . 27274 1 1035 . 1 1 346 346 ASP H H 1 7.99 0.03 . 1 . . . . . 346 ASP H . 27274 1 1036 . 1 1 346 346 ASP CA C 13 56.84 0.20 . 1 . . . . . 346 ASP CA . 27274 1 1037 . 1 1 346 346 ASP CB C 13 39.74 0.20 . 1 . . . . . 346 ASP CB . 27274 1 1038 . 1 1 346 346 ASP N N 15 117.45 0.30 . 1 . . . . . 346 ASP N . 27274 1 1039 . 1 1 347 347 GLU H H 1 7.43 0.03 . 1 . . . . . 347 GLU H . 27274 1 1040 . 1 1 347 347 GLU CA C 13 57.51 0.20 . 1 . . . . . 347 GLU CA . 27274 1 1041 . 1 1 347 347 GLU CB C 13 28.84 0.20 . 1 . . . . . 347 GLU CB . 27274 1 1042 . 1 1 347 347 GLU N N 15 118.39 0.30 . 1 . . . . . 347 GLU N . 27274 1 1043 . 1 1 348 348 VAL H H 1 8.00 0.03 . 1 . . . . . 348 VAL H . 27274 1 1044 . 1 1 348 348 VAL CA C 13 65.75 0.20 . 1 . . . . . 348 VAL CA . 27274 1 1045 . 1 1 348 348 VAL CB C 13 31.19 0.20 . 1 . . . . . 348 VAL CB . 27274 1 1046 . 1 1 348 348 VAL N N 15 121.22 0.30 . 1 . . . . . 348 VAL N . 27274 1 1047 . 1 1 349 349 ILE H H 1 8.04 0.03 . 1 . . . . . 349 ILE H . 27274 1 1048 . 1 1 349 349 ILE CA C 13 62.87 0.20 . 1 . . . . . 349 ILE CA . 27274 1 1049 . 1 1 349 349 ILE CB C 13 36.22 0.20 . 1 . . . . . 349 ILE CB . 27274 1 1050 . 1 1 349 349 ILE N N 15 114.73 0.30 . 1 . . . . . 349 ILE N . 27274 1 1051 . 1 1 350 350 SER H H 1 7.33 0.03 . 1 . . . . . 350 SER H . 27274 1 1052 . 1 1 350 350 SER CA C 13 57.76 0.20 . 1 . . . . . 350 SER CA . 27274 1 1053 . 1 1 350 350 SER CB C 13 63.15 0.20 . 1 . . . . . 350 SER CB . 27274 1 1054 . 1 1 350 350 SER N N 15 113.27 0.30 . 1 . . . . . 350 SER N . 27274 1 1055 . 1 1 351 351 PHE H H 1 7.22 0.03 . 1 . . . . . 351 PHE H . 27274 1 1056 . 1 1 351 351 PHE CA C 13 60.23 0.20 . 1 . . . . . 351 PHE CA . 27274 1 1057 . 1 1 351 351 PHE CB C 13 39.23 0.20 . 1 . . . . . 351 PHE CB . 27274 1 1058 . 1 1 351 351 PHE N N 15 124.97 0.30 . 1 . . . . . 351 PHE N . 27274 1 1059 . 1 1 352 352 VAL H H 1 6.83 0.03 . 1 . . . . . 352 VAL H . 27274 1 1060 . 1 1 352 352 VAL CA C 13 63.14 0.20 . 1 . . . . . 352 VAL CA . 27274 1 1061 . 1 1 352 352 VAL CB C 13 33.64 0.20 . 1 . . . . . 352 VAL CB . 27274 1 1062 . 1 1 352 352 VAL N N 15 130.06 0.30 . 1 . . . . . 352 VAL N . 27274 1 stop_ save_