data_27091 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27091 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for EarP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-03 _Entry.Accession_date 2017-05-03 _Entry.Last_release_date 2017-05-03 _Entry.Original_release_date 2017-05-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Jakub Macosek . . . . 27091 2 Janosch Hennig . . . . 27091 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Hennig Group, EMBL Heidelberg' . 27091 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27091 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 188 27091 '15N chemical shifts' 237 27091 '1H chemical shifts' 236 27091 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 . . 2017-10-03 . original BMRB . 27091 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27091 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28951478 _Citation.Full_citation . _Citation.Title ; Structural Basis for EarP-Mediated Arginine Glycosylation of Translation Elongation Factor EF-P ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev MBio _Citation.Journal_name_full mBio _Citation.Journal_volume 8 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2150-7511 _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 e01412 _Citation.Page_last e01417 _Citation.Year 2017 _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 Ralph Krafczyk R. . . . 27091 1 2 Jakub Macosek J. . . . 27091 1 3 'Pravin Kumar Ankush' Jagtap . . . . 27091 1 4 Daniel Gast D. . . . 27091 1 5 Swetlana Wunder S. . . . 27091 1 6 Prithiba Mitra P. . . . 27091 1 7 'Amit Kumar' Jha A. K. . . 27091 1 8 Jurgen Rohr J. . . . 27091 1 9 Anja Hoffmann-Roder A. . . . 27091 1 10 Kirsten Jung K. . . . 27091 1 11 Janosch Hennig J. . . . 27091 1 12 Jurgen Lassak J. . . . 27091 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27091 _Assembly.ID 1 _Assembly.Name EarP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 43116.85 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 EarP 1 $EarP A . yes native no no . . . 27091 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EarP _Entity.Sf_category entity _Entity.Sf_framecode EarP _Entity.Entry_ID 27091 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name EarP _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 ; MKATWDIFCSVVDNYGDIGV TWRLARQLVAEHGLAVRLWV DDLNAFTPMCPGADATAAQQ WQHGVDVRHWPAAWLPVAPA DVVIGAFACQLPAAYVEAMR ARPQPPLWLNLEYLSAEDWV EGCHGLPSPQPNGLRKVFFF PGFTDKTGGLLREGSLLARR DGFQQSAEARRAFLQGLGVD LVPGALLISLFAYENPQLGN WLDALATADQPCHLLVPQGR VVAGLSQWLGEGPLHVGDVR TRGALTVQVLPFVSQDDFDR LLWSCDFNAVRGEDSFVRAQ WAGQPMLWHIYVQDENAHWE KLEAFLAHYRCGLSDDADAA LLGLWRAWNMDFDMGQAWRA ARQHWPELQQHARLWGARQA AQPDLATALVHFYRNSLGSH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 385 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 UNP Q88LS1 . 'EF-P arginine 32 rhamnosyl-transferase' . . . . . . . . . . . . . . 27091 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID glycosyl-transferase 27091 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 . MET . 27091 1 2 . LYS . 27091 1 3 . ALA . 27091 1 4 . THR . 27091 1 5 . TRP . 27091 1 6 . ASP . 27091 1 7 . ILE . 27091 1 8 . PHE . 27091 1 9 . CYS . 27091 1 10 . SER . 27091 1 11 . VAL . 27091 1 12 . VAL . 27091 1 13 . ASP . 27091 1 14 . ASN . 27091 1 15 . TYR . 27091 1 16 . GLY . 27091 1 17 . ASP . 27091 1 18 . ILE . 27091 1 19 . GLY . 27091 1 20 . VAL . 27091 1 21 . THR . 27091 1 22 . TRP . 27091 1 23 . ARG . 27091 1 24 . LEU . 27091 1 25 . ALA . 27091 1 26 . ARG . 27091 1 27 . GLN . 27091 1 28 . LEU . 27091 1 29 . VAL . 27091 1 30 . ALA . 27091 1 31 . GLU . 27091 1 32 . HIS . 27091 1 33 . GLY . 27091 1 34 . LEU . 27091 1 35 . ALA . 27091 1 36 . VAL . 27091 1 37 . ARG . 27091 1 38 . LEU . 27091 1 39 . TRP . 27091 1 40 . VAL . 27091 1 41 . ASP . 27091 1 42 . ASP . 27091 1 43 . LEU . 27091 1 44 . ASN . 27091 1 45 . ALA . 27091 1 46 . PHE . 27091 1 47 . THR . 27091 1 48 . PRO . 27091 1 49 . MET . 27091 1 50 . CYS . 27091 1 51 . PRO . 27091 1 52 . GLY . 27091 1 53 . ALA . 27091 1 54 . ASP . 27091 1 55 . ALA . 27091 1 56 . THR . 27091 1 57 . ALA . 27091 1 58 . ALA . 27091 1 59 . GLN . 27091 1 60 . GLN . 27091 1 61 . TRP . 27091 1 62 . GLN . 27091 1 63 . HIS . 27091 1 64 . GLY . 27091 1 65 . VAL . 27091 1 66 . ASP . 27091 1 67 . VAL . 27091 1 68 . ARG . 27091 1 69 . HIS . 27091 1 70 . TRP . 27091 1 71 . PRO . 27091 1 72 . ALA . 27091 1 73 . ALA . 27091 1 74 . TRP . 27091 1 75 . LEU . 27091 1 76 . PRO . 27091 1 77 . VAL . 27091 1 78 . ALA . 27091 1 79 . PRO . 27091 1 80 . ALA . 27091 1 81 . ASP . 27091 1 82 . VAL . 27091 1 83 . VAL . 27091 1 84 . ILE . 27091 1 85 . GLY . 27091 1 86 . ALA . 27091 1 87 . PHE . 27091 1 88 . ALA . 27091 1 89 . CYS . 27091 1 90 . GLN . 27091 1 91 . LEU . 27091 1 92 . PRO . 27091 1 93 . ALA . 27091 1 94 . ALA . 27091 1 95 . TYR . 27091 1 96 . VAL . 27091 1 97 . GLU . 27091 1 98 . ALA . 27091 1 99 . MET . 27091 1 100 . ARG . 27091 1 101 . ALA . 27091 1 102 . ARG . 27091 1 103 . PRO . 27091 1 104 . GLN . 27091 1 105 . PRO . 27091 1 106 . PRO . 27091 1 107 . LEU . 27091 1 108 . TRP . 27091 1 109 . LEU . 27091 1 110 . ASN . 27091 1 111 . LEU . 27091 1 112 . GLU . 27091 1 113 . TYR . 27091 1 114 . LEU . 27091 1 115 . SER . 27091 1 116 . ALA . 27091 1 117 . GLU . 27091 1 118 . ASP . 27091 1 119 . TRP . 27091 1 120 . VAL . 27091 1 121 . GLU . 27091 1 122 . GLY . 27091 1 123 . CYS . 27091 1 124 . HIS . 27091 1 125 . GLY . 27091 1 126 . LEU . 27091 1 127 . PRO . 27091 1 128 . SER . 27091 1 129 . PRO . 27091 1 130 . GLN . 27091 1 131 . PRO . 27091 1 132 . ASN . 27091 1 133 . GLY . 27091 1 134 . LEU . 27091 1 135 . ARG . 27091 1 136 . LYS . 27091 1 137 . VAL . 27091 1 138 . PHE . 27091 1 139 . PHE . 27091 1 140 . PHE . 27091 1 141 . PRO . 27091 1 142 . GLY . 27091 1 143 . PHE . 27091 1 144 . THR . 27091 1 145 . ASP . 27091 1 146 . LYS . 27091 1 147 . THR . 27091 1 148 . GLY . 27091 1 149 . GLY . 27091 1 150 . LEU . 27091 1 151 . LEU . 27091 1 152 . ARG . 27091 1 153 . GLU . 27091 1 154 . GLY . 27091 1 155 . SER . 27091 1 156 . LEU . 27091 1 157 . LEU . 27091 1 158 . ALA . 27091 1 159 . ARG . 27091 1 160 . ARG . 27091 1 161 . ASP . 27091 1 162 . GLY . 27091 1 163 . PHE . 27091 1 164 . GLN . 27091 1 165 . GLN . 27091 1 166 . SER . 27091 1 167 . ALA . 27091 1 168 . GLU . 27091 1 169 . ALA . 27091 1 170 . ARG . 27091 1 171 . ARG . 27091 1 172 . ALA . 27091 1 173 . PHE . 27091 1 174 . LEU . 27091 1 175 . GLN . 27091 1 176 . GLY . 27091 1 177 . LEU . 27091 1 178 . GLY . 27091 1 179 . VAL . 27091 1 180 . ASP . 27091 1 181 . LEU . 27091 1 182 . VAL . 27091 1 183 . PRO . 27091 1 184 . GLY . 27091 1 185 . ALA . 27091 1 186 . LEU . 27091 1 187 . LEU . 27091 1 188 . ILE . 27091 1 189 . SER . 27091 1 190 . LEU . 27091 1 191 . PHE . 27091 1 192 . ALA . 27091 1 193 . TYR . 27091 1 194 . GLU . 27091 1 195 . ASN . 27091 1 196 . PRO . 27091 1 197 . GLN . 27091 1 198 . LEU . 27091 1 199 . GLY . 27091 1 200 . ASN . 27091 1 201 . TRP . 27091 1 202 . LEU . 27091 1 203 . ASP . 27091 1 204 . ALA . 27091 1 205 . LEU . 27091 1 206 . ALA . 27091 1 207 . THR . 27091 1 208 . ALA . 27091 1 209 . ASP . 27091 1 210 . GLN . 27091 1 211 . PRO . 27091 1 212 . CYS . 27091 1 213 . HIS . 27091 1 214 . LEU . 27091 1 215 . LEU . 27091 1 216 . VAL . 27091 1 217 . PRO . 27091 1 218 . GLN . 27091 1 219 . GLY . 27091 1 220 . ARG . 27091 1 221 . VAL . 27091 1 222 . VAL . 27091 1 223 . ALA . 27091 1 224 . GLY . 27091 1 225 . LEU . 27091 1 226 . SER . 27091 1 227 . GLN . 27091 1 228 . TRP . 27091 1 229 . LEU . 27091 1 230 . GLY . 27091 1 231 . GLU . 27091 1 232 . GLY . 27091 1 233 . PRO . 27091 1 234 . LEU . 27091 1 235 . HIS . 27091 1 236 . VAL . 27091 1 237 . GLY . 27091 1 238 . ASP . 27091 1 239 . VAL . 27091 1 240 . ARG . 27091 1 241 . THR . 27091 1 242 . ARG . 27091 1 243 . GLY . 27091 1 244 . ALA . 27091 1 245 . LEU . 27091 1 246 . THR . 27091 1 247 . VAL . 27091 1 248 . GLN . 27091 1 249 . VAL . 27091 1 250 . LEU . 27091 1 251 . PRO . 27091 1 252 . PHE . 27091 1 253 . VAL . 27091 1 254 . SER . 27091 1 255 . GLN . 27091 1 256 . ASP . 27091 1 257 . ASP . 27091 1 258 . PHE . 27091 1 259 . ASP . 27091 1 260 . ARG . 27091 1 261 . LEU . 27091 1 262 . LEU . 27091 1 263 . TRP . 27091 1 264 . SER . 27091 1 265 . CYS . 27091 1 266 . ASP . 27091 1 267 . PHE . 27091 1 268 . ASN . 27091 1 269 . ALA . 27091 1 270 . VAL . 27091 1 271 . ARG . 27091 1 272 . GLY . 27091 1 273 . GLU . 27091 1 274 . ASP . 27091 1 275 . SER . 27091 1 276 . PHE . 27091 1 277 . VAL . 27091 1 278 . ARG . 27091 1 279 . ALA . 27091 1 280 . GLN . 27091 1 281 . TRP . 27091 1 282 . ALA . 27091 1 283 . GLY . 27091 1 284 . GLN . 27091 1 285 . PRO . 27091 1 286 . MET . 27091 1 287 . LEU . 27091 1 288 . TRP . 27091 1 289 . HIS . 27091 1 290 . ILE . 27091 1 291 . TYR . 27091 1 292 . VAL . 27091 1 293 . GLN . 27091 1 294 . ASP . 27091 1 295 . GLU . 27091 1 296 . ASN . 27091 1 297 . ALA . 27091 1 298 . HIS . 27091 1 299 . TRP . 27091 1 300 . GLU . 27091 1 301 . LYS . 27091 1 302 . LEU . 27091 1 303 . GLU . 27091 1 304 . ALA . 27091 1 305 . PHE . 27091 1 306 . LEU . 27091 1 307 . ALA . 27091 1 308 . HIS . 27091 1 309 . TYR . 27091 1 310 . ARG . 27091 1 311 . CYS . 27091 1 312 . GLY . 27091 1 313 . LEU . 27091 1 314 . SER . 27091 1 315 . ASP . 27091 1 316 . ASP . 27091 1 317 . ALA . 27091 1 318 . ASP . 27091 1 319 . ALA . 27091 1 320 . ALA . 27091 1 321 . LEU . 27091 1 322 . LEU . 27091 1 323 . GLY . 27091 1 324 . LEU . 27091 1 325 . TRP . 27091 1 326 . ARG . 27091 1 327 . ALA . 27091 1 328 . TRP . 27091 1 329 . ASN . 27091 1 330 . MET . 27091 1 331 . ASP . 27091 1 332 . PHE . 27091 1 333 . ASP . 27091 1 334 . MET . 27091 1 335 . GLY . 27091 1 336 . GLN . 27091 1 337 . ALA . 27091 1 338 . TRP . 27091 1 339 . ARG . 27091 1 340 . ALA . 27091 1 341 . ALA . 27091 1 342 . ARG . 27091 1 343 . GLN . 27091 1 344 . HIS . 27091 1 345 . TRP . 27091 1 346 . PRO . 27091 1 347 . GLU . 27091 1 348 . LEU . 27091 1 349 . GLN . 27091 1 350 . GLN . 27091 1 351 . HIS . 27091 1 352 . ALA . 27091 1 353 . ARG . 27091 1 354 . LEU . 27091 1 355 . TRP . 27091 1 356 . GLY . 27091 1 357 . ALA . 27091 1 358 . ARG . 27091 1 359 . GLN . 27091 1 360 . ALA . 27091 1 361 . ALA . 27091 1 362 . GLN . 27091 1 363 . PRO . 27091 1 364 . ASP . 27091 1 365 . LEU . 27091 1 366 . ALA . 27091 1 367 . THR . 27091 1 368 . ALA . 27091 1 369 . LEU . 27091 1 370 . VAL . 27091 1 371 . HIS . 27091 1 372 . PHE . 27091 1 373 . TYR . 27091 1 374 . ARG . 27091 1 375 . ASN . 27091 1 376 . SER . 27091 1 377 . LEU . 27091 1 378 . GLY . 27091 1 379 . SER . 27091 1 380 . HIS . 27091 1 381 . HIS . 27091 1 382 . HIS . 27091 1 383 . HIS . 27091 1 384 . HIS . 27091 1 385 . HIS . 27091 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27091 1 . LYS 2 2 27091 1 . ALA 3 3 27091 1 . THR 4 4 27091 1 . TRP 5 5 27091 1 . ASP 6 6 27091 1 . ILE 7 7 27091 1 . PHE 8 8 27091 1 . CYS 9 9 27091 1 . SER 10 10 27091 1 . VAL 11 11 27091 1 . VAL 12 12 27091 1 . ASP 13 13 27091 1 . ASN 14 14 27091 1 . TYR 15 15 27091 1 . GLY 16 16 27091 1 . ASP 17 17 27091 1 . ILE 18 18 27091 1 . GLY 19 19 27091 1 . VAL 20 20 27091 1 . THR 21 21 27091 1 . TRP 22 22 27091 1 . ARG 23 23 27091 1 . LEU 24 24 27091 1 . ALA 25 25 27091 1 . ARG 26 26 27091 1 . GLN 27 27 27091 1 . LEU 28 28 27091 1 . VAL 29 29 27091 1 . ALA 30 30 27091 1 . GLU 31 31 27091 1 . HIS 32 32 27091 1 . GLY 33 33 27091 1 . LEU 34 34 27091 1 . ALA 35 35 27091 1 . VAL 36 36 27091 1 . ARG 37 37 27091 1 . LEU 38 38 27091 1 . TRP 39 39 27091 1 . VAL 40 40 27091 1 . ASP 41 41 27091 1 . ASP 42 42 27091 1 . LEU 43 43 27091 1 . ASN 44 44 27091 1 . ALA 45 45 27091 1 . PHE 46 46 27091 1 . THR 47 47 27091 1 . PRO 48 48 27091 1 . MET 49 49 27091 1 . CYS 50 50 27091 1 . PRO 51 51 27091 1 . GLY 52 52 27091 1 . ALA 53 53 27091 1 . ASP 54 54 27091 1 . ALA 55 55 27091 1 . THR 56 56 27091 1 . ALA 57 57 27091 1 . ALA 58 58 27091 1 . GLN 59 59 27091 1 . GLN 60 60 27091 1 . TRP 61 61 27091 1 . GLN 62 62 27091 1 . HIS 63 63 27091 1 . GLY 64 64 27091 1 . VAL 65 65 27091 1 . ASP 66 66 27091 1 . VAL 67 67 27091 1 . ARG 68 68 27091 1 . HIS 69 69 27091 1 . TRP 70 70 27091 1 . PRO 71 71 27091 1 . ALA 72 72 27091 1 . ALA 73 73 27091 1 . TRP 74 74 27091 1 . LEU 75 75 27091 1 . PRO 76 76 27091 1 . VAL 77 77 27091 1 . ALA 78 78 27091 1 . PRO 79 79 27091 1 . ALA 80 80 27091 1 . ASP 81 81 27091 1 . VAL 82 82 27091 1 . VAL 83 83 27091 1 . ILE 84 84 27091 1 . GLY 85 85 27091 1 . ALA 86 86 27091 1 . PHE 87 87 27091 1 . ALA 88 88 27091 1 . CYS 89 89 27091 1 . GLN 90 90 27091 1 . LEU 91 91 27091 1 . PRO 92 92 27091 1 . ALA 93 93 27091 1 . ALA 94 94 27091 1 . TYR 95 95 27091 1 . VAL 96 96 27091 1 . GLU 97 97 27091 1 . ALA 98 98 27091 1 . MET 99 99 27091 1 . ARG 100 100 27091 1 . ALA 101 101 27091 1 . ARG 102 102 27091 1 . PRO 103 103 27091 1 . GLN 104 104 27091 1 . PRO 105 105 27091 1 . PRO 106 106 27091 1 . LEU 107 107 27091 1 . TRP 108 108 27091 1 . LEU 109 109 27091 1 . ASN 110 110 27091 1 . LEU 111 111 27091 1 . GLU 112 112 27091 1 . TYR 113 113 27091 1 . LEU 114 114 27091 1 . SER 115 115 27091 1 . ALA 116 116 27091 1 . GLU 117 117 27091 1 . ASP 118 118 27091 1 . TRP 119 119 27091 1 . VAL 120 120 27091 1 . GLU 121 121 27091 1 . GLY 122 122 27091 1 . CYS 123 123 27091 1 . HIS 124 124 27091 1 . GLY 125 125 27091 1 . LEU 126 126 27091 1 . PRO 127 127 27091 1 . SER 128 128 27091 1 . PRO 129 129 27091 1 . GLN 130 130 27091 1 . PRO 131 131 27091 1 . ASN 132 132 27091 1 . GLY 133 133 27091 1 . LEU 134 134 27091 1 . ARG 135 135 27091 1 . LYS 136 136 27091 1 . VAL 137 137 27091 1 . PHE 138 138 27091 1 . PHE 139 139 27091 1 . PHE 140 140 27091 1 . PRO 141 141 27091 1 . GLY 142 142 27091 1 . PHE 143 143 27091 1 . THR 144 144 27091 1 . ASP 145 145 27091 1 . LYS 146 146 27091 1 . THR 147 147 27091 1 . GLY 148 148 27091 1 . GLY 149 149 27091 1 . LEU 150 150 27091 1 . LEU 151 151 27091 1 . ARG 152 152 27091 1 . GLU 153 153 27091 1 . GLY 154 154 27091 1 . SER 155 155 27091 1 . LEU 156 156 27091 1 . LEU 157 157 27091 1 . ALA 158 158 27091 1 . ARG 159 159 27091 1 . ARG 160 160 27091 1 . ASP 161 161 27091 1 . GLY 162 162 27091 1 . PHE 163 163 27091 1 . GLN 164 164 27091 1 . GLN 165 165 27091 1 . SER 166 166 27091 1 . ALA 167 167 27091 1 . GLU 168 168 27091 1 . ALA 169 169 27091 1 . ARG 170 170 27091 1 . ARG 171 171 27091 1 . ALA 172 172 27091 1 . PHE 173 173 27091 1 . LEU 174 174 27091 1 . GLN 175 175 27091 1 . GLY 176 176 27091 1 . LEU 177 177 27091 1 . GLY 178 178 27091 1 . VAL 179 179 27091 1 . ASP 180 180 27091 1 . LEU 181 181 27091 1 . VAL 182 182 27091 1 . PRO 183 183 27091 1 . GLY 184 184 27091 1 . ALA 185 185 27091 1 . LEU 186 186 27091 1 . LEU 187 187 27091 1 . ILE 188 188 27091 1 . SER 189 189 27091 1 . LEU 190 190 27091 1 . PHE 191 191 27091 1 . ALA 192 192 27091 1 . TYR 193 193 27091 1 . GLU 194 194 27091 1 . ASN 195 195 27091 1 . PRO 196 196 27091 1 . GLN 197 197 27091 1 . LEU 198 198 27091 1 . GLY 199 199 27091 1 . ASN 200 200 27091 1 . TRP 201 201 27091 1 . LEU 202 202 27091 1 . ASP 203 203 27091 1 . ALA 204 204 27091 1 . LEU 205 205 27091 1 . ALA 206 206 27091 1 . THR 207 207 27091 1 . ALA 208 208 27091 1 . ASP 209 209 27091 1 . GLN 210 210 27091 1 . PRO 211 211 27091 1 . CYS 212 212 27091 1 . HIS 213 213 27091 1 . LEU 214 214 27091 1 . LEU 215 215 27091 1 . VAL 216 216 27091 1 . PRO 217 217 27091 1 . GLN 218 218 27091 1 . GLY 219 219 27091 1 . ARG 220 220 27091 1 . VAL 221 221 27091 1 . VAL 222 222 27091 1 . ALA 223 223 27091 1 . GLY 224 224 27091 1 . LEU 225 225 27091 1 . SER 226 226 27091 1 . GLN 227 227 27091 1 . TRP 228 228 27091 1 . LEU 229 229 27091 1 . GLY 230 230 27091 1 . GLU 231 231 27091 1 . GLY 232 232 27091 1 . PRO 233 233 27091 1 . LEU 234 234 27091 1 . HIS 235 235 27091 1 . VAL 236 236 27091 1 . GLY 237 237 27091 1 . ASP 238 238 27091 1 . VAL 239 239 27091 1 . ARG 240 240 27091 1 . THR 241 241 27091 1 . ARG 242 242 27091 1 . GLY 243 243 27091 1 . ALA 244 244 27091 1 . LEU 245 245 27091 1 . THR 246 246 27091 1 . VAL 247 247 27091 1 . GLN 248 248 27091 1 . VAL 249 249 27091 1 . LEU 250 250 27091 1 . PRO 251 251 27091 1 . PHE 252 252 27091 1 . VAL 253 253 27091 1 . SER 254 254 27091 1 . GLN 255 255 27091 1 . ASP 256 256 27091 1 . ASP 257 257 27091 1 . PHE 258 258 27091 1 . ASP 259 259 27091 1 . ARG 260 260 27091 1 . LEU 261 261 27091 1 . LEU 262 262 27091 1 . TRP 263 263 27091 1 . SER 264 264 27091 1 . CYS 265 265 27091 1 . ASP 266 266 27091 1 . PHE 267 267 27091 1 . ASN 268 268 27091 1 . ALA 269 269 27091 1 . VAL 270 270 27091 1 . ARG 271 271 27091 1 . GLY 272 272 27091 1 . GLU 273 273 27091 1 . ASP 274 274 27091 1 . SER 275 275 27091 1 . PHE 276 276 27091 1 . VAL 277 277 27091 1 . ARG 278 278 27091 1 . ALA 279 279 27091 1 . GLN 280 280 27091 1 . TRP 281 281 27091 1 . ALA 282 282 27091 1 . GLY 283 283 27091 1 . GLN 284 284 27091 1 . PRO 285 285 27091 1 . MET 286 286 27091 1 . LEU 287 287 27091 1 . TRP 288 288 27091 1 . HIS 289 289 27091 1 . ILE 290 290 27091 1 . TYR 291 291 27091 1 . VAL 292 292 27091 1 . GLN 293 293 27091 1 . ASP 294 294 27091 1 . GLU 295 295 27091 1 . ASN 296 296 27091 1 . ALA 297 297 27091 1 . HIS 298 298 27091 1 . TRP 299 299 27091 1 . GLU 300 300 27091 1 . LYS 301 301 27091 1 . LEU 302 302 27091 1 . GLU 303 303 27091 1 . ALA 304 304 27091 1 . PHE 305 305 27091 1 . LEU 306 306 27091 1 . ALA 307 307 27091 1 . HIS 308 308 27091 1 . TYR 309 309 27091 1 . ARG 310 310 27091 1 . CYS 311 311 27091 1 . GLY 312 312 27091 1 . LEU 313 313 27091 1 . SER 314 314 27091 1 . ASP 315 315 27091 1 . ASP 316 316 27091 1 . ALA 317 317 27091 1 . ASP 318 318 27091 1 . ALA 319 319 27091 1 . ALA 320 320 27091 1 . LEU 321 321 27091 1 . LEU 322 322 27091 1 . GLY 323 323 27091 1 . LEU 324 324 27091 1 . TRP 325 325 27091 1 . ARG 326 326 27091 1 . ALA 327 327 27091 1 . TRP 328 328 27091 1 . ASN 329 329 27091 1 . MET 330 330 27091 1 . ASP 331 331 27091 1 . PHE 332 332 27091 1 . ASP 333 333 27091 1 . MET 334 334 27091 1 . GLY 335 335 27091 1 . GLN 336 336 27091 1 . ALA 337 337 27091 1 . TRP 338 338 27091 1 . ARG 339 339 27091 1 . ALA 340 340 27091 1 . ALA 341 341 27091 1 . ARG 342 342 27091 1 . GLN 343 343 27091 1 . HIS 344 344 27091 1 . TRP 345 345 27091 1 . PRO 346 346 27091 1 . GLU 347 347 27091 1 . LEU 348 348 27091 1 . GLN 349 349 27091 1 . GLN 350 350 27091 1 . HIS 351 351 27091 1 . ALA 352 352 27091 1 . ARG 353 353 27091 1 . LEU 354 354 27091 1 . TRP 355 355 27091 1 . GLY 356 356 27091 1 . ALA 357 357 27091 1 . ARG 358 358 27091 1 . GLN 359 359 27091 1 . ALA 360 360 27091 1 . ALA 361 361 27091 1 . GLN 362 362 27091 1 . PRO 363 363 27091 1 . ASP 364 364 27091 1 . LEU 365 365 27091 1 . ALA 366 366 27091 1 . THR 367 367 27091 1 . ALA 368 368 27091 1 . LEU 369 369 27091 1 . VAL 370 370 27091 1 . HIS 371 371 27091 1 . PHE 372 372 27091 1 . TYR 373 373 27091 1 . ARG 374 374 27091 1 . ASN 375 375 27091 1 . SER 376 376 27091 1 . LEU 377 377 27091 1 . GLY 378 378 27091 1 . SER 379 379 27091 1 . HIS 380 380 27091 1 . HIS 381 381 27091 1 . HIS 382 382 27091 1 . HIS 383 383 27091 1 . HIS 384 384 27091 1 . HIS 385 385 27091 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27091 _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 $EarP . 303 organism . 'Pseudomonas putida' 'Pseudomonas putida' . . Bacteria . Pseudomonas putida . . . . . . . . . . . . . 27091 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 27091 _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 $EarP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pBAD33 . . . 27091 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27091 _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 EarP '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $EarP . . 0.375 0.15 0.6 mM . . . . 27091 1 2 'sodium phosphate' 'natural abundance' . . . . . . 0.1 . . mM . . . . 27091 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 27091 _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 pH 7.6 . pH 27091 1 pressure 1 . atm 27091 1 temperature 298 . K 27091 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27091 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27091 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27091 1 processing 27091 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27091 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27091 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27091 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27091 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27091 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27091 3 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 27091 _Software.ID 4 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27091 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27091 4 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 27091 _Software.ID 5 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 27091 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 27091 5 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 27091 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27091 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27091 _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 . 700 . . . 27091 1 2 spectrometer_2 Bruker Avance . 800 . . . 27091 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 27091 _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 . . . . . . . . . . . . . . . . . . . . . 27091 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27091 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27091 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 27091 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 27091 _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 water protons . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27091 1 H 1 water protons . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27091 1 N 15 water protons . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27091 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 27091 _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' . . . 27091 1 2 '3D CBCA(CO)NH' . . . 27091 1 3 '3D HNCA' . . . 27091 1 4 '3D HNCACB' . . . 27091 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 62.699 0.000 . . . . . . 1 MET CA . 27091 1 2 . 1 1 1 1 MET CB C 13 31.211 0.000 . . . . . . 1 MET CB . 27091 1 3 . 1 1 2 2 LYS H H 1 8.300 0.001 . . . . . . 2 LYS HN . 27091 1 4 . 1 1 2 2 LYS CA C 13 55.562 0.001 . . . . . . 2 LYS CA . 27091 1 5 . 1 1 2 2 LYS CB C 13 32.287 0.122 . . . . . . 2 LYS CB . 27091 1 6 . 1 1 2 2 LYS N N 15 122.435 0.011 . . . . . . 2 LYS N . 27091 1 7 . 1 1 3 3 ALA H H 1 8.079 0.001 . . . . . . 3 ALA HN . 27091 1 8 . 1 1 3 3 ALA CA C 13 51.564 0.002 . . . . . . 3 ALA CA . 27091 1 9 . 1 1 3 3 ALA CB C 13 19.238 0.038 . . . . . . 3 ALA CB . 27091 1 10 . 1 1 3 3 ALA N N 15 125.845 0.014 . . . . . . 3 ALA N . 27091 1 11 . 1 1 4 4 THR H H 1 8.927 0.001 . . . . . . 4 THR HN . 27091 1 12 . 1 1 4 4 THR CA C 13 60.222 0.000 . . . . . . 4 THR CA . 27091 1 13 . 1 1 4 4 THR CB C 13 69.993 0.000 . . . . . . 4 THR CB . 27091 1 14 . 1 1 4 4 THR N N 15 114.490 0.017 . . . . . . 4 THR N . 27091 1 15 . 1 1 6 6 ASP H H 1 9.446 0.002 . . . . . . 6 ASP HN . 27091 1 16 . 1 1 6 6 ASP N N 15 123.441 0.015 . . . . . . 6 ASP N . 27091 1 17 . 1 1 7 7 ILE H H 1 7.339 0.002 . . . . . . 7 ILE HN . 27091 1 18 . 1 1 7 7 ILE N N 15 116.223 0.028 . . . . . . 7 ILE N . 27091 1 19 . 1 1 14 14 ASN H H 1 8.149 0.000 . . . . . . 14 ASN HN . 27091 1 20 . 1 1 14 14 ASN N N 15 123.142 0.020 . . . . . . 14 ASN N . 27091 1 21 . 1 1 15 15 TYR H H 1 7.666 0.003 . . . . . . 15 TYR HN . 27091 1 22 . 1 1 15 15 TYR N N 15 126.555 0.013 . . . . . . 15 TYR N . 27091 1 23 . 1 1 16 16 GLY H H 1 7.421 0.006 . . . . . . 16 GLY HN . 27091 1 24 . 1 1 16 16 GLY N N 15 103.885 0.064 . . . . . . 16 GLY N . 27091 1 25 . 1 1 17 17 ASP H H 1 6.909 0.001 . . . . . . 17 ASP HN . 27091 1 26 . 1 1 17 17 ASP N N 15 118.850 0.058 . . . . . . 17 ASP N . 27091 1 27 . 1 1 19 19 GLY H H 1 7.597 0.002 . . . . . . 19 GLY HN . 27091 1 28 . 1 1 19 19 GLY N N 15 105.250 0.029 . . . . . . 19 GLY N . 27091 1 29 . 1 1 22 22 TRP H H 1 7.587 0.002 . . . . . . 22 TRP HN . 27091 1 30 . 1 1 22 22 TRP N N 15 126.522 0.004 . . . . . . 22 TRP N . 27091 1 31 . 1 1 23 23 ARG H H 1 7.768 0.001 . . . . . . 23 ARG HN . 27091 1 32 . 1 1 23 23 ARG N N 15 119.053 0.017 . . . . . . 23 ARG N . 27091 1 33 . 1 1 24 24 LEU H H 1 8.014 0.000 . . . . . . 24 LEU HN . 27091 1 34 . 1 1 24 24 LEU N N 15 118.639 0.000 . . . . . . 24 LEU N . 27091 1 35 . 1 1 25 25 ALA H H 1 7.532 0.001 . . . . . . 25 ALA HN . 27091 1 36 . 1 1 25 25 ALA N N 15 119.392 0.011 . . . . . . 25 ALA N . 27091 1 37 . 1 1 26 26 ARG H H 1 7.241 0.002 . . . . . . 26 ARG HN . 27091 1 38 . 1 1 26 26 ARG N N 15 119.254 0.023 . . . . . . 26 ARG N . 27091 1 39 . 1 1 29 29 VAL H H 1 6.937 0.000 . . . . . . 29 VAL HN . 27091 1 40 . 1 1 29 29 VAL N N 15 117.353 0.000 . . . . . . 29 VAL N . 27091 1 41 . 1 1 30 30 ALA H H 1 8.218 0.001 . . . . . . 30 ALA HN . 27091 1 42 . 1 1 30 30 ALA N N 15 120.773 0.011 . . . . . . 30 ALA N . 27091 1 43 . 1 1 31 31 GLU H H 1 8.670 0.002 . . . . . . 31 GLU HN . 27091 1 44 . 1 1 31 31 GLU N N 15 112.456 0.015 . . . . . . 31 GLU N . 27091 1 45 . 1 1 32 32 HIS H H 1 8.500 0.004 . . . . . . 32 HIS HN . 27091 1 46 . 1 1 32 32 HIS N N 15 120.635 0.021 . . . . . . 32 HIS N . 27091 1 47 . 1 1 35 35 ALA H H 1 7.941 0.000 . . . . . . 35 ALA HN . 27091 1 48 . 1 1 35 35 ALA N N 15 124.434 0.000 . . . . . . 35 ALA N . 27091 1 49 . 1 1 36 36 VAL H H 1 7.973 0.002 . . . . . . 36 VAL HN . 27091 1 50 . 1 1 36 36 VAL N N 15 124.486 0.024 . . . . . . 36 VAL N . 27091 1 51 . 1 1 37 37 ARG H H 1 9.111 0.000 . . . . . . 37 ARG HN . 27091 1 52 . 1 1 37 37 ARG N N 15 126.743 0.000 . . . . . . 37 ARG N . 27091 1 53 . 1 1 38 38 LEU H H 1 7.919 0.002 . . . . . . 38 LEU HN . 27091 1 54 . 1 1 38 38 LEU N N 15 121.814 0.017 . . . . . . 38 LEU N . 27091 1 55 . 1 1 41 41 ASP H H 1 8.329 0.003 . . . . . . 41 ASP HN . 27091 1 56 . 1 1 41 41 ASP N N 15 127.105 0.029 . . . . . . 41 ASP N . 27091 1 57 . 1 1 42 42 ASP H H 1 6.934 0.004 . . . . . . 42 ASP HN . 27091 1 58 . 1 1 42 42 ASP N N 15 118.632 0.054 . . . . . . 42 ASP N . 27091 1 59 . 1 1 43 43 LEU H H 1 9.177 0.002 . . . . . . 43 LEU HN . 27091 1 60 . 1 1 43 43 LEU N N 15 124.582 0.013 . . . . . . 43 LEU N . 27091 1 61 . 1 1 45 45 ALA H H 1 8.566 0.000 . . . . . . 45 ALA HN . 27091 1 62 . 1 1 45 45 ALA N N 15 131.480 0.000 . . . . . . 45 ALA N . 27091 1 63 . 1 1 46 46 PHE H H 1 7.292 0.002 . . . . . . 46 PHE HN . 27091 1 64 . 1 1 46 46 PHE N N 15 117.027 0.004 . . . . . . 46 PHE N . 27091 1 65 . 1 1 47 47 THR H H 1 7.497 0.002 . . . . . . 47 THR HN . 27091 1 66 . 1 1 47 47 THR N N 15 111.574 0.081 . . . . . . 47 THR N . 27091 1 67 . 1 1 53 53 ALA H H 1 8.281 0.001 . . . . . . 53 ALA HN . 27091 1 68 . 1 1 53 53 ALA CA C 13 52.044 0.000 . . . . . . 53 ALA CA . 27091 1 69 . 1 1 53 53 ALA CB C 13 18.913 0.000 . . . . . . 53 ALA CB . 27091 1 70 . 1 1 53 53 ALA N N 15 129.253 0.016 . . . . . . 53 ALA N . 27091 1 71 . 1 1 54 54 ASP H H 1 8.721 0.002 . . . . . . 54 ASP HN . 27091 1 72 . 1 1 54 54 ASP CA C 13 51.962 0.063 . . . . . . 54 ASP CA . 27091 1 73 . 1 1 54 54 ASP CB C 13 42.335 0.003 . . . . . . 54 ASP CB . 27091 1 74 . 1 1 54 54 ASP N N 15 121.031 0.029 . . . . . . 54 ASP N . 27091 1 75 . 1 1 55 55 ALA H H 1 8.902 0.002 . . . . . . 55 ALA HN . 27091 1 76 . 1 1 55 55 ALA CA C 13 53.104 0.034 . . . . . . 55 ALA CA . 27091 1 77 . 1 1 55 55 ALA CB C 13 17.538 0.055 . . . . . . 55 ALA CB . 27091 1 78 . 1 1 55 55 ALA N N 15 128.309 0.043 . . . . . . 55 ALA N . 27091 1 79 . 1 1 56 56 THR H H 1 8.553 0.002 . . . . . . 56 THR HN . 27091 1 80 . 1 1 56 56 THR CA C 13 60.555 0.008 . . . . . . 56 THR CA . 27091 1 81 . 1 1 56 56 THR CB C 13 69.618 0.093 . . . . . . 56 THR CB . 27091 1 82 . 1 1 56 56 THR N N 15 107.571 0.043 . . . . . . 56 THR N . 27091 1 83 . 1 1 57 57 ALA H H 1 6.647 0.003 . . . . . . 57 ALA HN . 27091 1 84 . 1 1 57 57 ALA CA C 13 51.231 0.000 . . . . . . 57 ALA CA . 27091 1 85 . 1 1 57 57 ALA CB C 13 18.151 0.000 . . . . . . 57 ALA CB . 27091 1 86 . 1 1 57 57 ALA N N 15 126.088 0.038 . . . . . . 57 ALA N . 27091 1 87 . 1 1 62 62 GLN H H 1 7.945 0.002 . . . . . . 62 GLN HN . 27091 1 88 . 1 1 62 62 GLN CA C 13 58.534 0.020 . . . . . . 62 GLN CA . 27091 1 89 . 1 1 62 62 GLN CB C 13 28.875 0.037 . . . . . . 62 GLN CB . 27091 1 90 . 1 1 62 62 GLN N N 15 119.239 0.024 . . . . . . 62 GLN N . 27091 1 91 . 1 1 63 63 HIS H H 1 7.977 0.001 . . . . . . 63 HIS HN . 27091 1 92 . 1 1 63 63 HIS CA C 13 57.061 0.011 . . . . . . 63 HIS CA . 27091 1 93 . 1 1 63 63 HIS CB C 13 27.714 0.000 . . . . . . 63 HIS CB . 27091 1 94 . 1 1 63 63 HIS N N 15 117.884 0.031 . . . . . . 63 HIS N . 27091 1 95 . 1 1 64 64 GLY H H 1 8.777 0.002 . . . . . . 64 GLY HN . 27091 1 96 . 1 1 64 64 GLY CA C 13 45.011 0.011 . . . . . . 64 GLY CA . 27091 1 97 . 1 1 64 64 GLY N N 15 103.372 0.038 . . . . . . 64 GLY N . 27091 1 98 . 1 1 65 65 VAL H H 1 8.580 0.001 . . . . . . 65 VAL HN . 27091 1 99 . 1 1 65 65 VAL CA C 13 61.934 0.007 . . . . . . 65 VAL CA . 27091 1 100 . 1 1 65 65 VAL CB C 13 31.976 0.043 . . . . . . 65 VAL CB . 27091 1 101 . 1 1 65 65 VAL N N 15 124.539 0.014 . . . . . . 65 VAL N . 27091 1 102 . 1 1 66 66 ASP H H 1 7.437 0.001 . . . . . . 66 ASP HN . 27091 1 103 . 1 1 66 66 ASP CA C 13 52.206 0.016 . . . . . . 66 ASP CA . 27091 1 104 . 1 1 66 66 ASP CB C 13 38.824 0.069 . . . . . . 66 ASP CB . 27091 1 105 . 1 1 66 66 ASP N N 15 127.269 0.020 . . . . . . 66 ASP N . 27091 1 106 . 1 1 67 67 VAL H H 1 8.428 0.001 . . . . . . 67 VAL HN . 27091 1 107 . 1 1 67 67 VAL CA C 13 62.440 0.011 . . . . . . 67 VAL CA . 27091 1 108 . 1 1 67 67 VAL CB C 13 30.129 0.080 . . . . . . 67 VAL CB . 27091 1 109 . 1 1 67 67 VAL N N 15 126.472 0.039 . . . . . . 67 VAL N . 27091 1 110 . 1 1 68 68 ARG H H 1 9.144 0.002 . . . . . . 68 ARG HN . 27091 1 111 . 1 1 68 68 ARG CA C 13 51.715 0.036 . . . . . . 68 ARG CA . 27091 1 112 . 1 1 68 68 ARG CB C 13 32.904 0.022 . . . . . . 68 ARG CB . 27091 1 113 . 1 1 68 68 ARG N N 15 128.689 0.043 . . . . . . 68 ARG N . 27091 1 114 . 1 1 69 69 HIS H H 1 7.603 0.002 . . . . . . 69 HIS HN . 27091 1 115 . 1 1 69 69 HIS CA C 13 55.552 0.000 . . . . . . 69 HIS CA . 27091 1 116 . 1 1 69 69 HIS CB C 13 32.015 0.000 . . . . . . 69 HIS CB . 27091 1 117 . 1 1 69 69 HIS N N 15 120.375 0.014 . . . . . . 69 HIS N . 27091 1 118 . 1 1 70 70 TRP H H 1 8.009 0.002 . . . . . . 70 TRP HN . 27091 1 119 . 1 1 70 70 TRP N N 15 132.623 0.023 . . . . . . 70 TRP N . 27091 1 120 . 1 1 71 71 PRO CA C 13 61.447 0.004 . . . . . . 71 PRO CA . 27091 1 121 . 1 1 71 71 PRO CB C 13 31.459 0.026 . . . . . . 71 PRO CB . 27091 1 122 . 1 1 72 72 ALA H H 1 8.211 0.001 . . . . . . 72 ALA HN . 27091 1 123 . 1 1 72 72 ALA CA C 13 54.039 0.004 . . . . . . 72 ALA CA . 27091 1 124 . 1 1 72 72 ALA CB C 13 17.725 0.054 . . . . . . 72 ALA CB . 27091 1 125 . 1 1 72 72 ALA N N 15 123.224 0.051 . . . . . . 72 ALA N . 27091 1 126 . 1 1 73 73 ALA H H 1 7.728 0.001 . . . . . . 73 ALA HN . 27091 1 127 . 1 1 73 73 ALA CA C 13 49.755 0.000 . . . . . . 73 ALA CA . 27091 1 128 . 1 1 73 73 ALA CB C 13 16.646 0.000 . . . . . . 73 ALA CB . 27091 1 129 . 1 1 73 73 ALA N N 15 120.339 0.020 . . . . . . 73 ALA N . 27091 1 130 . 1 1 74 74 TRP H H 1 8.132 0.003 . . . . . . 74 TRP HN . 27091 1 131 . 1 1 74 74 TRP N N 15 124.155 0.032 . . . . . . 74 TRP N . 27091 1 132 . 1 1 75 75 LEU H H 1 6.295 0.001 . . . . . . 75 LEU HN . 27091 1 133 . 1 1 75 75 LEU N N 15 130.127 0.024 . . . . . . 75 LEU N . 27091 1 134 . 1 1 77 77 VAL H H 1 8.492 0.001 . . . . . . 77 VAL HN . 27091 1 135 . 1 1 77 77 VAL N N 15 122.286 0.015 . . . . . . 77 VAL N . 27091 1 136 . 1 1 78 78 ALA H H 1 8.236 0.001 . . . . . . 78 ALA HN . 27091 1 137 . 1 1 78 78 ALA N N 15 126.456 0.049 . . . . . . 78 ALA N . 27091 1 138 . 1 1 80 80 ALA H H 1 6.949 0.000 . . . . . . 80 ALA HN . 27091 1 139 . 1 1 80 80 ALA N N 15 124.506 0.000 . . . . . . 80 ALA N . 27091 1 140 . 1 1 81 81 ASP H H 1 7.835 0.001 . . . . . . 81 ASP HN . 27091 1 141 . 1 1 81 81 ASP N N 15 116.252 0.024 . . . . . . 81 ASP N . 27091 1 142 . 1 1 82 82 VAL CA C 13 60.642 0.066 . . . . . . 82 VAL CA . 27091 1 143 . 1 1 82 82 VAL CB C 13 33.351 0.051 . . . . . . 82 VAL CB . 27091 1 144 . 1 1 82 82 VAL N N 15 120.789 0.028 . . . . . . 82 VAL N . 27091 1 145 . 1 1 83 83 VAL H H 1 9.053 0.001 . . . . . . 83 VAL HN . 27091 1 146 . 1 1 83 83 VAL CA C 13 59.787 0.000 . . . . . . 83 VAL CA . 27091 1 147 . 1 1 83 83 VAL CB C 13 33.808 0.000 . . . . . . 83 VAL CB . 27091 1 148 . 1 1 83 83 VAL N N 15 127.058 0.015 . . . . . . 83 VAL N . 27091 1 149 . 1 1 84 84 ILE H H 1 9.413 0.002 . . . . . . 84 ILE HN . 27091 1 150 . 1 1 84 84 ILE CA C 13 58.667 0.040 . . . . . . 84 ILE CA . 27091 1 151 . 1 1 84 84 ILE CB C 13 38.693 0.094 . . . . . . 84 ILE CB . 27091 1 152 . 1 1 84 84 ILE N N 15 126.045 0.013 . . . . . . 84 ILE N . 27091 1 153 . 1 1 85 85 GLY H H 1 8.951 0.004 . . . . . . 85 GLY HN . 27091 1 154 . 1 1 85 85 GLY CA C 13 44.395 0.052 . . . . . . 85 GLY CA . 27091 1 155 . 1 1 85 85 GLY N N 15 114.680 0.058 . . . . . . 85 GLY N . 27091 1 156 . 1 1 86 86 ALA H H 1 7.964 0.001 . . . . . . 86 ALA HN . 27091 1 157 . 1 1 86 86 ALA CA C 13 51.797 0.054 . . . . . . 86 ALA CA . 27091 1 158 . 1 1 86 86 ALA CB C 13 18.772 0.117 . . . . . . 86 ALA CB . 27091 1 159 . 1 1 86 86 ALA N N 15 122.928 0.014 . . . . . . 86 ALA N . 27091 1 160 . 1 1 92 92 PRO CA C 13 63.587 0.000 . . . . . . 92 PRO CA . 27091 1 161 . 1 1 93 93 ALA H H 1 8.393 0.003 . . . . . . 93 ALA HN . 27091 1 162 . 1 1 93 93 ALA CA C 13 53.981 0.013 . . . . . . 93 ALA CA . 27091 1 163 . 1 1 93 93 ALA N N 15 116.713 0.021 . . . . . . 93 ALA N . 27091 1 164 . 1 1 94 94 ALA H H 1 7.489 0.005 . . . . . . 94 ALA HN . 27091 1 165 . 1 1 94 94 ALA CA C 13 53.957 0.030 . . . . . . 94 ALA CA . 27091 1 166 . 1 1 94 94 ALA CB C 13 17.922 0.030 . . . . . . 94 ALA CB . 27091 1 167 . 1 1 94 94 ALA N N 15 121.853 0.022 . . . . . . 94 ALA N . 27091 1 168 . 1 1 95 95 TYR H H 1 6.598 0.003 . . . . . . 95 TYR HN . 27091 1 169 . 1 1 95 95 TYR CA C 13 59.949 0.002 . . . . . . 95 TYR CA . 27091 1 170 . 1 1 95 95 TYR CB C 13 38.066 0.123 . . . . . . 95 TYR CB . 27091 1 171 . 1 1 95 95 TYR N N 15 121.210 0.056 . . . . . . 95 TYR N . 27091 1 172 . 1 1 96 96 VAL H H 1 7.361 0.002 . . . . . . 96 VAL HN . 27091 1 173 . 1 1 96 96 VAL CA C 13 65.185 0.014 . . . . . . 96 VAL CA . 27091 1 174 . 1 1 96 96 VAL CB C 13 30.386 0.071 . . . . . . 96 VAL CB . 27091 1 175 . 1 1 96 96 VAL N N 15 120.822 0.017 . . . . . . 96 VAL N . 27091 1 176 . 1 1 97 97 GLU H H 1 7.690 0.002 . . . . . . 97 GLU HN . 27091 1 177 . 1 1 97 97 GLU CA C 13 58.560 0.004 . . . . . . 97 GLU CA . 27091 1 178 . 1 1 97 97 GLU CB C 13 28.055 0.057 . . . . . . 97 GLU CB . 27091 1 179 . 1 1 97 97 GLU N N 15 118.708 0.020 . . . . . . 97 GLU N . 27091 1 180 . 1 1 98 98 ALA H H 1 7.268 0.002 . . . . . . 98 ALA HN . 27091 1 181 . 1 1 98 98 ALA CA C 13 54.138 0.017 . . . . . . 98 ALA CA . 27091 1 182 . 1 1 98 98 ALA CB C 13 16.547 0.000 . . . . . . 98 ALA CB . 27091 1 183 . 1 1 98 98 ALA N N 15 122.511 0.031 . . . . . . 98 ALA N . 27091 1 184 . 1 1 99 99 MET H H 1 8.023 0.001 . . . . . . 99 MET HN . 27091 1 185 . 1 1 99 99 MET CA C 13 59.692 0.001 . . . . . . 99 MET CA . 27091 1 186 . 1 1 99 99 MET CB C 13 33.300 0.000 . . . . . . 99 MET CB . 27091 1 187 . 1 1 99 99 MET N N 15 119.640 0.025 . . . . . . 99 MET N . 27091 1 188 . 1 1 100 100 ARG H H 1 7.554 0.001 . . . . . . 100 ARG HN . 27091 1 189 . 1 1 100 100 ARG N N 15 116.901 0.010 . . . . . . 100 ARG N . 27091 1 190 . 1 1 101 101 ALA H H 1 7.223 0.001 . . . . . . 101 ALA HN . 27091 1 191 . 1 1 101 101 ALA N N 15 119.523 0.023 . . . . . . 101 ALA N . 27091 1 192 . 1 1 104 104 GLN H H 1 7.269 0.001 . . . . . . 104 GLN HN . 27091 1 193 . 1 1 104 104 GLN N N 15 114.836 0.013 . . . . . . 104 GLN N . 27091 1 194 . 1 1 107 107 LEU H H 1 7.445 0.002 . . . . . . 107 LEU HN . 27091 1 195 . 1 1 107 107 LEU N N 15 123.387 0.024 . . . . . . 107 LEU N . 27091 1 196 . 1 1 108 108 TRP H H 1 8.726 0.000 . . . . . . 108 TRP HN . 27091 1 197 . 1 1 108 108 TRP N N 15 131.177 0.021 . . . . . . 108 TRP N . 27091 1 198 . 1 1 109 109 LEU H H 1 9.535 0.003 . . . . . . 109 LEU HN . 27091 1 199 . 1 1 109 109 LEU N N 15 126.235 0.030 . . . . . . 109 LEU N . 27091 1 200 . 1 1 110 110 ASN H H 1 8.642 0.004 . . . . . . 110 ASN HN . 27091 1 201 . 1 1 110 110 ASN N N 15 122.415 0.022 . . . . . . 110 ASN N . 27091 1 202 . 1 1 111 111 LEU H H 1 7.681 0.002 . . . . . . 111 LEU HN . 27091 1 203 . 1 1 111 111 LEU N N 15 127.703 0.014 . . . . . . 111 LEU N . 27091 1 204 . 1 1 112 112 GLU H H 1 7.801 0.002 . . . . . . 112 GLU HN . 27091 1 205 . 1 1 112 112 GLU N N 15 128.100 0.023 . . . . . . 112 GLU N . 27091 1 206 . 1 1 115 115 SER H H 1 8.041 0.000 . . . . . . 115 SER HN . 27091 1 207 . 1 1 115 115 SER N N 15 122.084 0.000 . . . . . . 115 SER N . 27091 1 208 . 1 1 116 116 ALA H H 1 8.939 0.001 . . . . . . 116 ALA HN . 27091 1 209 . 1 1 116 116 ALA N N 15 127.060 0.030 . . . . . . 116 ALA N . 27091 1 210 . 1 1 117 117 GLU H H 1 8.639 0.001 . . . . . . 117 GLU HN . 27091 1 211 . 1 1 117 117 GLU N N 15 120.467 0.030 . . . . . . 117 GLU N . 27091 1 212 . 1 1 118 118 ASP H H 1 8.717 0.001 . . . . . . 118 ASP HN . 27091 1 213 . 1 1 118 118 ASP N N 15 121.583 0.027 . . . . . . 118 ASP N . 27091 1 214 . 1 1 119 119 TRP H H 1 7.636 0.004 . . . . . . 119 TRP HN . 27091 1 215 . 1 1 119 119 TRP N N 15 116.819 0.011 . . . . . . 119 TRP N . 27091 1 216 . 1 1 120 120 VAL H H 1 6.042 0.002 . . . . . . 120 VAL HN . 27091 1 217 . 1 1 120 120 VAL N N 15 118.536 0.024 . . . . . . 120 VAL N . 27091 1 218 . 1 1 121 121 GLU H H 1 7.172 0.002 . . . . . . 121 GLU HN . 27091 1 219 . 1 1 121 121 GLU N N 15 118.061 0.061 . . . . . . 121 GLU N . 27091 1 220 . 1 1 122 122 GLY H H 1 7.535 0.000 . . . . . . 122 GLY HN . 27091 1 221 . 1 1 122 122 GLY N N 15 104.152 0.009 . . . . . . 122 GLY N . 27091 1 222 . 1 1 123 123 CYS H H 1 7.208 0.007 . . . . . . 123 CYS HN . 27091 1 223 . 1 1 123 123 CYS N N 15 116.427 0.052 . . . . . . 123 CYS N . 27091 1 224 . 1 1 124 124 HIS H H 1 8.803 0.003 . . . . . . 124 HIS HN . 27091 1 225 . 1 1 124 124 HIS N N 15 117.783 0.026 . . . . . . 124 HIS N . 27091 1 226 . 1 1 127 127 PRO CA C 13 61.266 0.000 . . . . . . 127 PRO CA . 27091 1 227 . 1 1 127 127 PRO CB C 13 31.308 0.000 . . . . . . 127 PRO CB . 27091 1 228 . 1 1 128 128 SER H H 1 8.744 0.001 . . . . . . 128 SER HN . 27091 1 229 . 1 1 128 128 SER CA C 13 53.980 0.000 . . . . . . 128 SER CA . 27091 1 230 . 1 1 128 128 SER CB C 13 63.503 0.000 . . . . . . 128 SER CB . 27091 1 231 . 1 1 128 128 SER N N 15 118.362 0.009 . . . . . . 128 SER N . 27091 1 232 . 1 1 130 130 GLN H H 1 8.662 0.002 . . . . . . 130 GLN HN . 27091 1 233 . 1 1 130 130 GLN N N 15 122.670 0.028 . . . . . . 130 GLN N . 27091 1 234 . 1 1 133 133 GLY H H 1 8.128 0.000 . . . . . . 133 GLY HN . 27091 1 235 . 1 1 133 133 GLY N N 15 107.425 0.009 . . . . . . 133 GLY N . 27091 1 236 . 1 1 134 134 LEU H H 1 7.526 0.001 . . . . . . 134 LEU HN . 27091 1 237 . 1 1 134 134 LEU CA C 13 53.935 0.001 . . . . . . 134 LEU CA . 27091 1 238 . 1 1 134 134 LEU N N 15 120.150 0.022 . . . . . . 134 LEU N . 27091 1 239 . 1 1 135 135 ARG H H 1 8.674 0.002 . . . . . . 135 ARG HN . 27091 1 240 . 1 1 135 135 ARG CA C 13 55.001 0.002 . . . . . . 135 ARG CA . 27091 1 241 . 1 1 135 135 ARG CB C 13 30.988 0.053 . . . . . . 135 ARG CB . 27091 1 242 . 1 1 135 135 ARG N N 15 119.475 0.047 . . . . . . 135 ARG N . 27091 1 243 . 1 1 136 136 LYS H H 1 7.554 0.001 . . . . . . 136 LYS HN . 27091 1 244 . 1 1 136 136 LYS CA C 13 53.564 0.006 . . . . . . 136 LYS CA . 27091 1 245 . 1 1 136 136 LYS CB C 13 33.794 0.104 . . . . . . 136 LYS CB . 27091 1 246 . 1 1 136 136 LYS N N 15 125.339 0.019 . . . . . . 136 LYS N . 27091 1 247 . 1 1 137 137 VAL H H 1 8.860 0.002 . . . . . . 137 VAL HN . 27091 1 248 . 1 1 137 137 VAL CA C 13 60.832 0.005 . . . . . . 137 VAL CA . 27091 1 249 . 1 1 137 137 VAL CB C 13 32.456 0.075 . . . . . . 137 VAL CB . 27091 1 250 . 1 1 137 137 VAL N N 15 127.867 0.006 . . . . . . 137 VAL N . 27091 1 251 . 1 1 138 138 PHE H H 1 8.053 0.001 . . . . . . 138 PHE HN . 27091 1 252 . 1 1 138 138 PHE CA C 13 58.734 0.008 . . . . . . 138 PHE CA . 27091 1 253 . 1 1 138 138 PHE CB C 13 39.480 0.012 . . . . . . 138 PHE CB . 27091 1 254 . 1 1 138 138 PHE N N 15 127.613 0.011 . . . . . . 138 PHE N . 27091 1 255 . 1 1 139 139 PHE H H 1 8.589 0.002 . . . . . . 139 PHE HN . 27091 1 256 . 1 1 139 139 PHE CA C 13 56.814 0.001 . . . . . . 139 PHE CA . 27091 1 257 . 1 1 139 139 PHE CB C 13 42.567 0.024 . . . . . . 139 PHE CB . 27091 1 258 . 1 1 139 139 PHE N N 15 128.965 0.017 . . . . . . 139 PHE N . 27091 1 259 . 1 1 140 140 PHE H H 1 11.023 0.002 . . . . . . 140 PHE HN . 27091 1 260 . 1 1 140 140 PHE CA C 13 55.132 0.000 . . . . . . 140 PHE CA . 27091 1 261 . 1 1 140 140 PHE CB C 13 39.281 0.000 . . . . . . 140 PHE CB . 27091 1 262 . 1 1 140 140 PHE N N 15 130.871 0.031 . . . . . . 140 PHE N . 27091 1 263 . 1 1 142 142 GLY H H 1 8.389 0.001 . . . . . . 142 GLY HN . 27091 1 264 . 1 1 142 142 GLY N N 15 117.141 0.021 . . . . . . 142 GLY N . 27091 1 265 . 1 1 143 143 PHE H H 1 7.998 0.001 . . . . . . 143 PHE HN . 27091 1 266 . 1 1 143 143 PHE N N 15 122.354 0.023 . . . . . . 143 PHE N . 27091 1 267 . 1 1 146 146 LYS H H 1 7.362 0.002 . . . . . . 146 LYS HN . 27091 1 268 . 1 1 146 146 LYS CA C 13 54.846 0.044 . . . . . . 146 LYS CA . 27091 1 269 . 1 1 146 146 LYS CB C 13 31.360 0.093 . . . . . . 146 LYS CB . 27091 1 270 . 1 1 146 146 LYS N N 15 119.329 0.025 . . . . . . 146 LYS N . 27091 1 271 . 1 1 147 147 THR H H 1 6.961 0.001 . . . . . . 147 THR HN . 27091 1 272 . 1 1 147 147 THR CA C 13 59.375 0.002 . . . . . . 147 THR CA . 27091 1 273 . 1 1 147 147 THR CB C 13 71.015 0.077 . . . . . . 147 THR CB . 27091 1 274 . 1 1 147 147 THR N N 15 107.230 0.057 . . . . . . 147 THR N . 27091 1 275 . 1 1 148 148 GLY H H 1 8.334 0.001 . . . . . . 148 GLY HN . 27091 1 276 . 1 1 148 148 GLY CA C 13 45.431 0.018 . . . . . . 148 GLY CA . 27091 1 277 . 1 1 148 148 GLY N N 15 106.234 0.046 . . . . . . 148 GLY N . 27091 1 278 . 1 1 149 149 GLY H H 1 7.050 0.002 . . . . . . 149 GLY HN . 27091 1 279 . 1 1 149 149 GLY CA C 13 43.937 0.038 . . . . . . 149 GLY CA . 27091 1 280 . 1 1 149 149 GLY N N 15 104.173 0.006 . . . . . . 149 GLY N . 27091 1 281 . 1 1 150 150 LEU H H 1 8.380 0.001 . . . . . . 150 LEU HN . 27091 1 282 . 1 1 150 150 LEU CA C 13 51.783 0.026 . . . . . . 150 LEU CA . 27091 1 283 . 1 1 150 150 LEU CB C 13 45.834 0.052 . . . . . . 150 LEU CB . 27091 1 284 . 1 1 150 150 LEU N N 15 115.901 0.024 . . . . . . 150 LEU N . 27091 1 285 . 1 1 151 151 LEU H H 1 8.681 0.002 . . . . . . 151 LEU HN . 27091 1 286 . 1 1 151 151 LEU CA C 13 55.317 0.000 . . . . . . 151 LEU CA . 27091 1 287 . 1 1 151 151 LEU CB C 13 40.744 0.000 . . . . . . 151 LEU CB . 27091 1 288 . 1 1 151 151 LEU N N 15 125.136 0.020 . . . . . . 151 LEU N . 27091 1 289 . 1 1 155 155 SER H H 1 8.229 0.009 . . . . . . 155 SER HN . 27091 1 290 . 1 1 155 155 SER N N 15 117.962 0.048 . . . . . . 155 SER N . 27091 1 291 . 1 1 156 156 LEU H H 1 7.079 0.002 . . . . . . 156 LEU HN . 27091 1 292 . 1 1 156 156 LEU CA C 13 58.536 0.010 . . . . . . 156 LEU CA . 27091 1 293 . 1 1 156 156 LEU CB C 13 41.986 0.156 . . . . . . 156 LEU CB . 27091 1 294 . 1 1 156 156 LEU N N 15 122.156 0.021 . . . . . . 156 LEU N . 27091 1 295 . 1 1 157 157 LEU H H 1 7.854 0.011 . . . . . . 157 LEU HN . 27091 1 296 . 1 1 157 157 LEU CA C 13 57.763 0.002 . . . . . . 157 LEU CA . 27091 1 297 . 1 1 157 157 LEU CB C 13 38.043 0.060 . . . . . . 157 LEU CB . 27091 1 298 . 1 1 157 157 LEU N N 15 116.335 0.116 . . . . . . 157 LEU N . 27091 1 299 . 1 1 158 158 ALA H H 1 7.575 0.002 . . . . . . 158 ALA HN . 27091 1 300 . 1 1 158 158 ALA CA C 13 54.347 0.013 . . . . . . 158 ALA CA . 27091 1 301 . 1 1 158 158 ALA CB C 13 17.072 0.041 . . . . . . 158 ALA CB . 27091 1 302 . 1 1 158 158 ALA N N 15 121.538 0.020 . . . . . . 158 ALA N . 27091 1 303 . 1 1 159 159 ARG H H 1 7.870 0.008 . . . . . . 159 ARG HN . 27091 1 304 . 1 1 159 159 ARG CA C 13 59.178 0.005 . . . . . . 159 ARG CA . 27091 1 305 . 1 1 159 159 ARG CB C 13 28.944 0.021 . . . . . . 159 ARG CB . 27091 1 306 . 1 1 159 159 ARG N N 15 120.993 0.080 . . . . . . 159 ARG N . 27091 1 307 . 1 1 160 160 ARG H H 1 8.177 0.001 . . . . . . 160 ARG HN . 27091 1 308 . 1 1 160 160 ARG CA C 13 57.219 0.000 . . . . . . 160 ARG CA . 27091 1 309 . 1 1 160 160 ARG CB C 13 28.815 0.016 . . . . . . 160 ARG CB . 27091 1 310 . 1 1 160 160 ARG N N 15 123.859 0.012 . . . . . . 160 ARG N . 27091 1 311 . 1 1 161 161 ASP H H 1 8.248 0.002 . . . . . . 161 ASP HN . 27091 1 312 . 1 1 161 161 ASP CA C 13 56.793 0.021 . . . . . . 161 ASP CA . 27091 1 313 . 1 1 161 161 ASP CB C 13 38.373 0.072 . . . . . . 161 ASP CB . 27091 1 314 . 1 1 161 161 ASP N N 15 120.113 0.021 . . . . . . 161 ASP N . 27091 1 315 . 1 1 162 162 GLY H H 1 7.752 0.001 . . . . . . 162 GLY HN . 27091 1 316 . 1 1 162 162 GLY CA C 13 46.208 0.010 . . . . . . 162 GLY CA . 27091 1 317 . 1 1 162 162 GLY N N 15 106.061 0.021 . . . . . . 162 GLY N . 27091 1 318 . 1 1 163 163 PHE H H 1 7.500 0.001 . . . . . . 163 PHE HN . 27091 1 319 . 1 1 163 163 PHE CA C 13 60.786 0.024 . . . . . . 163 PHE CA . 27091 1 320 . 1 1 163 163 PHE CB C 13 39.527 0.000 . . . . . . 163 PHE CB . 27091 1 321 . 1 1 163 163 PHE N N 15 122.774 0.007 . . . . . . 163 PHE N . 27091 1 322 . 1 1 164 164 GLN H H 1 8.957 0.002 . . . . . . 164 GLN HN . 27091 1 323 . 1 1 164 164 GLN CA C 13 58.425 0.015 . . . . . . 164 GLN CA . 27091 1 324 . 1 1 164 164 GLN CB C 13 27.732 0.000 . . . . . . 164 GLN CB . 27091 1 325 . 1 1 164 164 GLN N N 15 115.035 0.010 . . . . . . 164 GLN N . 27091 1 326 . 1 1 165 165 GLN H H 1 7.635 0.001 . . . . . . 165 GLN HN . 27091 1 327 . 1 1 165 165 GLN CA C 13 55.628 0.014 . . . . . . 165 GLN CA . 27091 1 328 . 1 1 165 165 GLN CB C 13 27.416 0.099 . . . . . . 165 GLN CB . 27091 1 329 . 1 1 165 165 GLN N N 15 114.715 0.012 . . . . . . 165 GLN N . 27091 1 330 . 1 1 166 166 SER H H 1 7.139 0.002 . . . . . . 166 SER HN . 27091 1 331 . 1 1 166 166 SER CA C 13 54.864 0.010 . . . . . . 166 SER CA . 27091 1 332 . 1 1 166 166 SER CB C 13 62.369 0.000 . . . . . . 166 SER CB . 27091 1 333 . 1 1 166 166 SER N N 15 114.727 0.021 . . . . . . 166 SER N . 27091 1 334 . 1 1 167 167 ALA H H 1 8.777 0.003 . . . . . . 167 ALA HN . 27091 1 335 . 1 1 167 167 ALA CA C 13 56.747 0.002 . . . . . . 167 ALA CA . 27091 1 336 . 1 1 167 167 ALA N N 15 118.747 0.010 . . . . . . 167 ALA N . 27091 1 337 . 1 1 170 170 ARG H H 1 7.366 0.002 . . . . . . 170 ARG HN . 27091 1 338 . 1 1 170 170 ARG N N 15 119.178 0.037 . . . . . . 170 ARG N . 27091 1 339 . 1 1 171 171 ARG H H 1 7.851 0.002 . . . . . . 171 ARG HN . 27091 1 340 . 1 1 171 171 ARG N N 15 119.244 0.019 . . . . . . 171 ARG N . 27091 1 341 . 1 1 172 172 ALA H H 1 8.263 0.001 . . . . . . 172 ALA HN . 27091 1 342 . 1 1 172 172 ALA N N 15 120.852 0.024 . . . . . . 172 ALA N . 27091 1 343 . 1 1 173 173 PHE H H 1 8.019 0.003 . . . . . . 173 PHE HN . 27091 1 344 . 1 1 173 173 PHE CA C 13 60.313 0.003 . . . . . . 173 PHE CA . 27091 1 345 . 1 1 173 173 PHE CB C 13 38.511 0.057 . . . . . . 173 PHE CB . 27091 1 346 . 1 1 173 173 PHE N N 15 119.982 0.016 . . . . . . 173 PHE N . 27091 1 347 . 1 1 174 174 LEU H H 1 8.220 0.003 . . . . . . 174 LEU HN . 27091 1 348 . 1 1 174 174 LEU CA C 13 57.470 0.021 . . . . . . 174 LEU CA . 27091 1 349 . 1 1 174 174 LEU CB C 13 39.344 0.074 . . . . . . 174 LEU CB . 27091 1 350 . 1 1 174 174 LEU N N 15 119.736 0.039 . . . . . . 174 LEU N . 27091 1 351 . 1 1 175 175 GLN H H 1 8.595 0.001 . . . . . . 175 GLN HN . 27091 1 352 . 1 1 175 175 GLN CA C 13 58.738 0.011 . . . . . . 175 GLN CA . 27091 1 353 . 1 1 175 175 GLN CB C 13 27.303 0.054 . . . . . . 175 GLN CB . 27091 1 354 . 1 1 175 175 GLN N N 15 119.619 0.021 . . . . . . 175 GLN N . 27091 1 355 . 1 1 176 176 GLY H H 1 7.769 0.001 . . . . . . 176 GLY HN . 27091 1 356 . 1 1 176 176 GLY CA C 13 46.101 0.013 . . . . . . 176 GLY CA . 27091 1 357 . 1 1 176 176 GLY N N 15 108.997 0.016 . . . . . . 176 GLY N . 27091 1 358 . 1 1 177 177 LEU H H 1 6.932 0.002 . . . . . . 177 LEU HN . 27091 1 359 . 1 1 177 177 LEU CA C 13 53.758 0.014 . . . . . . 177 LEU CA . 27091 1 360 . 1 1 177 177 LEU CB C 13 42.103 0.000 . . . . . . 177 LEU CB . 27091 1 361 . 1 1 177 177 LEU N N 15 120.017 0.014 . . . . . . 177 LEU N . 27091 1 362 . 1 1 178 178 GLY H H 1 7.574 0.002 . . . . . . 178 GLY HN . 27091 1 363 . 1 1 178 178 GLY CA C 13 44.846 0.018 . . . . . . 178 GLY CA . 27091 1 364 . 1 1 178 178 GLY N N 15 106.392 0.014 . . . . . . 178 GLY N . 27091 1 365 . 1 1 179 179 VAL H H 1 7.842 0.003 . . . . . . 179 VAL HN . 27091 1 366 . 1 1 179 179 VAL CA C 13 61.107 0.012 . . . . . . 179 VAL CA . 27091 1 367 . 1 1 179 179 VAL CB C 13 31.139 0.000 . . . . . . 179 VAL CB . 27091 1 368 . 1 1 179 179 VAL N N 15 122.670 0.097 . . . . . . 179 VAL N . 27091 1 369 . 1 1 180 180 ASP H H 1 8.927 0.002 . . . . . . 180 ASP HN . 27091 1 370 . 1 1 180 180 ASP CA C 13 52.056 0.011 . . . . . . 180 ASP CA . 27091 1 371 . 1 1 180 180 ASP CB C 13 40.077 0.075 . . . . . . 180 ASP CB . 27091 1 372 . 1 1 180 180 ASP N N 15 131.217 0.016 . . . . . . 180 ASP N . 27091 1 373 . 1 1 181 181 LEU H H 1 7.740 0.001 . . . . . . 181 LEU HN . 27091 1 374 . 1 1 181 181 LEU CA C 13 54.156 0.009 . . . . . . 181 LEU CA . 27091 1 375 . 1 1 181 181 LEU CB C 13 42.506 0.049 . . . . . . 181 LEU CB . 27091 1 376 . 1 1 181 181 LEU N N 15 124.196 0.020 . . . . . . 181 LEU N . 27091 1 377 . 1 1 182 182 VAL H H 1 9.173 0.003 . . . . . . 182 VAL HN . 27091 1 378 . 1 1 182 182 VAL CA C 13 60.406 0.000 . . . . . . 182 VAL CA . 27091 1 379 . 1 1 182 182 VAL CB C 13 31.272 0.000 . . . . . . 182 VAL CB . 27091 1 380 . 1 1 182 182 VAL N N 15 131.939 0.020 . . . . . . 182 VAL N . 27091 1 381 . 1 1 184 184 GLY H H 1 8.334 0.001 . . . . . . 184 GLY HN . 27091 1 382 . 1 1 184 184 GLY N N 15 115.301 0.022 . . . . . . 184 GLY N . 27091 1 383 . 1 1 185 185 ALA H H 1 7.632 0.001 . . . . . . 185 ALA HN . 27091 1 384 . 1 1 185 185 ALA N N 15 122.352 0.014 . . . . . . 185 ALA N . 27091 1 385 . 1 1 186 186 LEU H H 1 8.285 0.001 . . . . . . 186 LEU HN . 27091 1 386 . 1 1 186 186 LEU N N 15 124.732 0.017 . . . . . . 186 LEU N . 27091 1 387 . 1 1 187 187 LEU H H 1 9.766 0.002 . . . . . . 187 LEU HN . 27091 1 388 . 1 1 187 187 LEU N N 15 131.492 0.013 . . . . . . 187 LEU N . 27091 1 389 . 1 1 188 188 ILE H H 1 9.007 0.004 . . . . . . 188 ILE HN . 27091 1 390 . 1 1 188 188 ILE N N 15 128.218 0.017 . . . . . . 188 ILE N . 27091 1 391 . 1 1 189 189 SER H H 1 8.560 0.003 . . . . . . 189 SER HN . 27091 1 392 . 1 1 189 189 SER N N 15 120.702 0.041 . . . . . . 189 SER N . 27091 1 393 . 1 1 190 190 LEU H H 1 8.056 0.006 . . . . . . 190 LEU HN . 27091 1 394 . 1 1 190 190 LEU N N 15 122.084 0.038 . . . . . . 190 LEU N . 27091 1 395 . 1 1 191 191 PHE H H 1 7.976 0.006 . . . . . . 191 PHE HN . 27091 1 396 . 1 1 191 191 PHE N N 15 119.144 0.035 . . . . . . 191 PHE N . 27091 1 397 . 1 1 197 197 GLN H H 1 8.402 0.000 . . . . . . 197 GLN HN . 27091 1 398 . 1 1 197 197 GLN N N 15 117.232 0.000 . . . . . . 197 GLN N . 27091 1 399 . 1 1 198 198 LEU H H 1 7.521 0.002 . . . . . . 198 LEU HN . 27091 1 400 . 1 1 198 198 LEU N N 15 121.646 0.018 . . . . . . 198 LEU N . 27091 1 401 . 1 1 199 199 GLY H H 1 8.444 0.004 . . . . . . 199 GLY HN . 27091 1 402 . 1 1 199 199 GLY CA C 13 46.989 0.009 . . . . . . 199 GLY CA . 27091 1 403 . 1 1 199 199 GLY N N 15 105.934 0.013 . . . . . . 199 GLY N . 27091 1 404 . 1 1 200 200 ASN H H 1 7.942 0.001 . . . . . . 200 ASN HN . 27091 1 405 . 1 1 200 200 ASN CA C 13 54.721 0.024 . . . . . . 200 ASN CA . 27091 1 406 . 1 1 200 200 ASN CB C 13 36.972 0.000 . . . . . . 200 ASN CB . 27091 1 407 . 1 1 200 200 ASN N N 15 118.652 0.024 . . . . . . 200 ASN N . 27091 1 408 . 1 1 201 201 TRP H H 1 8.379 0.001 . . . . . . 201 TRP HN . 27091 1 409 . 1 1 201 201 TRP CA C 13 58.274 0.000 . . . . . . 201 TRP CA . 27091 1 410 . 1 1 201 201 TRP CB C 13 28.851 0.000 . . . . . . 201 TRP CB . 27091 1 411 . 1 1 201 201 TRP N N 15 117.214 0.022 . . . . . . 201 TRP N . 27091 1 412 . 1 1 205 205 LEU H H 1 8.511 0.003 . . . . . . 205 LEU HN . 27091 1 413 . 1 1 205 205 LEU N N 15 117.513 0.027 . . . . . . 205 LEU N . 27091 1 414 . 1 1 206 206 ALA H H 1 8.521 0.002 . . . . . . 206 ALA HN . 27091 1 415 . 1 1 206 206 ALA N N 15 117.635 0.024 . . . . . . 206 ALA N . 27091 1 416 . 1 1 207 207 THR H H 1 7.382 0.001 . . . . . . 207 THR HN . 27091 1 417 . 1 1 207 207 THR N N 15 106.736 0.014 . . . . . . 207 THR N . 27091 1 418 . 1 1 208 208 ALA H H 1 6.670 0.002 . . . . . . 208 ALA HN . 27091 1 419 . 1 1 208 208 ALA N N 15 125.197 0.010 . . . . . . 208 ALA N . 27091 1 420 . 1 1 209 209 ASP H H 1 8.059 0.002 . . . . . . 209 ASP HN . 27091 1 421 . 1 1 209 209 ASP N N 15 116.374 0.010 . . . . . . 209 ASP N . 27091 1 422 . 1 1 210 210 GLN H H 1 6.998 0.002 . . . . . . 210 GLN HN . 27091 1 423 . 1 1 210 210 GLN N N 15 119.551 0.017 . . . . . . 210 GLN N . 27091 1 424 . 1 1 225 225 LEU H H 1 7.553 0.002 . . . . . . 225 LEU HN . 27091 1 425 . 1 1 225 225 LEU N N 15 122.048 0.014 . . . . . . 225 LEU N . 27091 1 426 . 1 1 226 226 SER H H 1 8.908 0.005 . . . . . . 226 SER HN . 27091 1 427 . 1 1 226 226 SER N N 15 124.025 0.013 . . . . . . 226 SER N . 27091 1 428 . 1 1 228 228 TRP H H 1 7.725 0.002 . . . . . . 228 TRP HN . 27091 1 429 . 1 1 228 228 TRP N N 15 121.324 0.019 . . . . . . 228 TRP N . 27091 1 430 . 1 1 229 229 LEU H H 1 8.016 0.001 . . . . . . 229 LEU HN . 27091 1 431 . 1 1 229 229 LEU N N 15 122.239 0.046 . . . . . . 229 LEU N . 27091 1 432 . 1 1 230 230 GLY H H 1 7.116 0.000 . . . . . . 230 GLY HN . 27091 1 433 . 1 1 230 230 GLY N N 15 132.100 0.000 . . . . . . 230 GLY N . 27091 1 434 . 1 1 231 231 GLU H H 1 8.142 0.001 . . . . . . 231 GLU HN . 27091 1 435 . 1 1 231 231 GLU CA C 13 54.497 0.000 . . . . . . 231 GLU CA . 27091 1 436 . 1 1 231 231 GLU CB C 13 30.194 0.053 . . . . . . 231 GLU CB . 27091 1 437 . 1 1 231 231 GLU N N 15 119.732 0.013 . . . . . . 231 GLU N . 27091 1 438 . 1 1 232 232 GLY H H 1 8.075 0.001 . . . . . . 232 GLY HN . 27091 1 439 . 1 1 232 232 GLY CA C 13 43.712 0.000 . . . . . . 232 GLY CA . 27091 1 440 . 1 1 232 232 GLY N N 15 109.539 0.027 . . . . . . 232 GLY N . 27091 1 441 . 1 1 234 234 LEU H H 1 7.554 0.001 . . . . . . 234 LEU HN . 27091 1 442 . 1 1 234 234 LEU N N 15 122.895 0.018 . . . . . . 234 LEU N . 27091 1 443 . 1 1 235 235 HIS H H 1 8.999 0.002 . . . . . . 235 HIS HN . 27091 1 444 . 1 1 235 235 HIS N N 15 121.357 0.013 . . . . . . 235 HIS N . 27091 1 445 . 1 1 236 236 VAL H H 1 8.243 0.003 . . . . . . 236 VAL HN . 27091 1 446 . 1 1 236 236 VAL N N 15 121.086 0.029 . . . . . . 236 VAL N . 27091 1 447 . 1 1 238 238 ASP H H 1 8.635 0.000 . . . . . . 238 ASP HN . 27091 1 448 . 1 1 238 238 ASP N N 15 130.311 0.000 . . . . . . 238 ASP N . 27091 1 449 . 1 1 239 239 VAL H H 1 7.872 0.001 . . . . . . 239 VAL HN . 27091 1 450 . 1 1 239 239 VAL N N 15 120.831 0.000 . . . . . . 239 VAL N . 27091 1 451 . 1 1 240 240 ARG H H 1 8.814 0.002 . . . . . . 240 ARG HN . 27091 1 452 . 1 1 240 240 ARG CA C 13 56.842 0.019 . . . . . . 240 ARG CA . 27091 1 453 . 1 1 240 240 ARG CB C 13 31.271 0.000 . . . . . . 240 ARG CB . 27091 1 454 . 1 1 240 240 ARG N N 15 125.441 0.025 . . . . . . 240 ARG N . 27091 1 455 . 1 1 241 241 THR H H 1 8.667 0.004 . . . . . . 241 THR HN . 27091 1 456 . 1 1 241 241 THR CA C 13 60.840 0.003 . . . . . . 241 THR CA . 27091 1 457 . 1 1 241 241 THR CB C 13 70.957 0.026 . . . . . . 241 THR CB . 27091 1 458 . 1 1 241 241 THR N N 15 120.085 0.094 . . . . . . 241 THR N . 27091 1 459 . 1 1 242 242 ARG H H 1 9.256 0.001 . . . . . . 242 ARG HN . 27091 1 460 . 1 1 242 242 ARG CA C 13 53.819 0.002 . . . . . . 242 ARG CA . 27091 1 461 . 1 1 242 242 ARG CB C 13 30.984 0.077 . . . . . . 242 ARG CB . 27091 1 462 . 1 1 242 242 ARG N N 15 128.661 0.018 . . . . . . 242 ARG N . 27091 1 463 . 1 1 243 243 GLY H H 1 8.666 0.003 . . . . . . 243 GLY HN . 27091 1 464 . 1 1 243 243 GLY CA C 13 46.700 0.020 . . . . . . 243 GLY CA . 27091 1 465 . 1 1 243 243 GLY N N 15 114.741 0.036 . . . . . . 243 GLY N . 27091 1 466 . 1 1 244 244 ALA H H 1 8.977 0.001 . . . . . . 244 ALA HN . 27091 1 467 . 1 1 244 244 ALA CA C 13 52.252 0.010 . . . . . . 244 ALA CA . 27091 1 468 . 1 1 244 244 ALA CB C 13 18.386 0.095 . . . . . . 244 ALA CB . 27091 1 469 . 1 1 244 244 ALA N N 15 130.719 0.009 . . . . . . 244 ALA N . 27091 1 470 . 1 1 245 245 LEU H H 1 8.336 0.001 . . . . . . 245 LEU HN . 27091 1 471 . 1 1 245 245 LEU CA C 13 53.607 0.003 . . . . . . 245 LEU CA . 27091 1 472 . 1 1 245 245 LEU CB C 13 43.973 0.035 . . . . . . 245 LEU CB . 27091 1 473 . 1 1 245 245 LEU N N 15 122.627 0.037 . . . . . . 245 LEU N . 27091 1 474 . 1 1 246 246 THR H H 1 8.700 0.002 . . . . . . 246 THR HN . 27091 1 475 . 1 1 246 246 THR CA C 13 61.713 0.037 . . . . . . 246 THR CA . 27091 1 476 . 1 1 246 246 THR CB C 13 69.875 0.051 . . . . . . 246 THR CB . 27091 1 477 . 1 1 246 246 THR N N 15 125.341 0.039 . . . . . . 246 THR N . 27091 1 478 . 1 1 247 247 VAL H H 1 9.261 0.003 . . . . . . 247 VAL HN . 27091 1 479 . 1 1 247 247 VAL CA C 13 59.210 0.000 . . . . . . 247 VAL CA . 27091 1 480 . 1 1 247 247 VAL CB C 13 33.141 0.000 . . . . . . 247 VAL CB . 27091 1 481 . 1 1 247 247 VAL N N 15 124.804 0.028 . . . . . . 247 VAL N . 27091 1 482 . 1 1 252 252 PHE H H 1 7.912 0.002 . . . . . . 252 PHE HN . 27091 1 483 . 1 1 252 252 PHE N N 15 117.279 0.031 . . . . . . 252 PHE N . 27091 1 484 . 1 1 260 260 ARG H H 1 6.966 0.000 . . . . . . 260 ARG HN . 27091 1 485 . 1 1 260 260 ARG N N 15 107.440 0.000 . . . . . . 260 ARG N . 27091 1 486 . 1 1 261 261 LEU H H 1 7.606 0.000 . . . . . . 261 LEU HN . 27091 1 487 . 1 1 261 261 LEU N N 15 122.527 0.000 . . . . . . 261 LEU N . 27091 1 488 . 1 1 262 262 LEU H H 1 7.644 0.000 . . . . . . 262 LEU HN . 27091 1 489 . 1 1 262 262 LEU N N 15 120.378 0.000 . . . . . . 262 LEU N . 27091 1 490 . 1 1 263 263 TRP H H 1 8.281 0.005 . . . . . . 263 TRP HN . 27091 1 491 . 1 1 263 263 TRP N N 15 118.048 0.030 . . . . . . 263 TRP N . 27091 1 492 . 1 1 267 267 PHE H H 1 7.528 0.002 . . . . . . 267 PHE HN . 27091 1 493 . 1 1 267 267 PHE N N 15 116.158 0.009 . . . . . . 267 PHE N . 27091 1 494 . 1 1 268 268 ASN H H 1 7.553 0.001 . . . . . . 268 ASN HN . 27091 1 495 . 1 1 268 268 ASN N N 15 124.487 0.006 . . . . . . 268 ASN N . 27091 1 496 . 1 1 269 269 ALA H H 1 8.671 0.001 . . . . . . 269 ALA HN . 27091 1 497 . 1 1 269 269 ALA N N 15 129.111 0.016 . . . . . . 269 ALA N . 27091 1 498 . 1 1 270 270 VAL H H 1 8.592 0.003 . . . . . . 270 VAL HN . 27091 1 499 . 1 1 270 270 VAL N N 15 115.540 0.039 . . . . . . 270 VAL N . 27091 1 500 . 1 1 274 274 ASP H H 1 7.182 0.001 . . . . . . 274 ASP HN . 27091 1 501 . 1 1 274 274 ASP N N 15 121.789 0.013 . . . . . . 274 ASP N . 27091 1 502 . 1 1 275 275 SER H H 1 9.810 0.002 . . . . . . 275 SER HN . 27091 1 503 . 1 1 275 275 SER N N 15 119.862 0.032 . . . . . . 275 SER N . 27091 1 504 . 1 1 276 276 PHE H H 1 8.528 0.003 . . . . . . 276 PHE HN . 27091 1 505 . 1 1 276 276 PHE N N 15 120.810 0.022 . . . . . . 276 PHE N . 27091 1 506 . 1 1 289 289 HIS H H 1 9.157 0.001 . . . . . . 289 HIS HN . 27091 1 507 . 1 1 289 289 HIS N N 15 120.778 0.007 . . . . . . 289 HIS N . 27091 1 508 . 1 1 290 290 ILE H H 1 7.950 0.002 . . . . . . 290 ILE HN . 27091 1 509 . 1 1 290 290 ILE N N 15 117.414 0.038 . . . . . . 290 ILE N . 27091 1 510 . 1 1 296 296 ASN H H 1 8.549 0.001 . . . . . . 296 ASN HN . 27091 1 511 . 1 1 296 296 ASN N N 15 115.032 0.004 . . . . . . 296 ASN N . 27091 1 512 . 1 1 297 297 ALA H H 1 7.194 0.001 . . . . . . 297 ALA HN . 27091 1 513 . 1 1 297 297 ALA N N 15 118.963 0.019 . . . . . . 297 ALA N . 27091 1 514 . 1 1 298 298 HIS H H 1 7.134 0.001 . . . . . . 298 HIS HN . 27091 1 515 . 1 1 298 298 HIS N N 15 118.936 0.020 . . . . . . 298 HIS N . 27091 1 516 . 1 1 300 300 GLU H H 1 8.660 0.000 . . . . . . 300 GLU HN . 27091 1 517 . 1 1 300 300 GLU N N 15 123.194 0.024 . . . . . . 300 GLU N . 27091 1 518 . 1 1 301 301 LYS H H 1 8.862 0.002 . . . . . . 301 LYS HN . 27091 1 519 . 1 1 301 301 LYS N N 15 121.991 0.017 . . . . . . 301 LYS N . 27091 1 520 . 1 1 306 306 LEU H H 1 8.360 0.000 . . . . . . 306 LEU HN . 27091 1 521 . 1 1 306 306 LEU N N 15 117.256 0.000 . . . . . . 306 LEU N . 27091 1 522 . 1 1 307 307 ALA H H 1 7.254 0.000 . . . . . . 307 ALA HN . 27091 1 523 . 1 1 307 307 ALA N N 15 122.650 0.000 . . . . . . 307 ALA N . 27091 1 524 . 1 1 308 308 HIS H H 1 7.567 0.002 . . . . . . 308 HIS HN . 27091 1 525 . 1 1 308 308 HIS N N 15 118.761 0.021 . . . . . . 308 HIS N . 27091 1 526 . 1 1 311 311 CYS H H 1 9.690 0.004 . . . . . . 311 CYS HN . 27091 1 527 . 1 1 311 311 CYS N N 15 131.134 0.050 . . . . . . 311 CYS N . 27091 1 528 . 1 1 312 312 GLY H H 1 9.872 0.002 . . . . . . 312 GLY HN . 27091 1 529 . 1 1 312 312 GLY N N 15 114.376 0.027 . . . . . . 312 GLY N . 27091 1 530 . 1 1 317 317 ALA H H 1 6.975 0.003 . . . . . . 317 ALA HN . 27091 1 531 . 1 1 317 317 ALA CA C 13 54.551 0.012 . . . . . . 317 ALA CA . 27091 1 532 . 1 1 317 317 ALA CB C 13 17.587 0.015 . . . . . . 317 ALA CB . 27091 1 533 . 1 1 317 317 ALA N N 15 124.529 0.020 . . . . . . 317 ALA N . 27091 1 534 . 1 1 318 318 ASP H H 1 8.564 0.002 . . . . . . 318 ASP HN . 27091 1 535 . 1 1 318 318 ASP CA C 13 56.843 0.012 . . . . . . 318 ASP CA . 27091 1 536 . 1 1 318 318 ASP CB C 13 41.987 0.104 . . . . . . 318 ASP CB . 27091 1 537 . 1 1 318 318 ASP N N 15 119.766 0.032 . . . . . . 318 ASP N . 27091 1 538 . 1 1 319 319 ALA H H 1 7.241 0.002 . . . . . . 319 ALA HN . 27091 1 539 . 1 1 319 319 ALA CA C 13 54.416 0.018 . . . . . . 319 ALA CA . 27091 1 540 . 1 1 319 319 ALA CB C 13 17.135 0.051 . . . . . . 319 ALA CB . 27091 1 541 . 1 1 319 319 ALA N N 15 117.995 0.026 . . . . . . 319 ALA N . 27091 1 542 . 1 1 320 320 ALA H H 1 7.395 0.002 . . . . . . 320 ALA HN . 27091 1 543 . 1 1 320 320 ALA CA C 13 53.359 0.010 . . . . . . 320 ALA CA . 27091 1 544 . 1 1 320 320 ALA CB C 13 17.363 0.015 . . . . . . 320 ALA CB . 27091 1 545 . 1 1 320 320 ALA N N 15 120.471 0.028 . . . . . . 320 ALA N . 27091 1 546 . 1 1 321 321 LEU H H 1 8.709 0.002 . . . . . . 321 LEU HN . 27091 1 547 . 1 1 321 321 LEU CA C 13 59.103 0.013 . . . . . . 321 LEU CA . 27091 1 548 . 1 1 321 321 LEU CB C 13 40.567 0.000 . . . . . . 321 LEU CB . 27091 1 549 . 1 1 321 321 LEU N N 15 123.824 0.029 . . . . . . 321 LEU N . 27091 1 550 . 1 1 322 322 LEU H H 1 8.466 0.002 . . . . . . 322 LEU HN . 27091 1 551 . 1 1 322 322 LEU CA C 13 58.345 0.008 . . . . . . 322 LEU CA . 27091 1 552 . 1 1 322 322 LEU CB C 13 39.910 0.000 . . . . . . 322 LEU CB . 27091 1 553 . 1 1 322 322 LEU N N 15 119.531 0.008 . . . . . . 322 LEU N . 27091 1 554 . 1 1 323 323 GLY H H 1 8.123 0.001 . . . . . . 323 GLY HN . 27091 1 555 . 1 1 323 323 GLY CA C 13 46.571 0.000 . . . . . . 323 GLY CA . 27091 1 556 . 1 1 323 323 GLY N N 15 104.140 0.014 . . . . . . 323 GLY N . 27091 1 557 . 1 1 324 324 LEU H H 1 7.822 0.001 . . . . . . 324 LEU HN . 27091 1 558 . 1 1 324 324 LEU N N 15 124.614 0.009 . . . . . . 324 LEU N . 27091 1 559 . 1 1 325 325 TRP H H 1 8.377 0.002 . . . . . . 325 TRP HN . 27091 1 560 . 1 1 325 325 TRP N N 15 117.839 0.039 . . . . . . 325 TRP N . 27091 1 561 . 1 1 329 329 ASN H H 1 7.941 0.000 . . . . . . 329 ASN HN . 27091 1 562 . 1 1 329 329 ASN N N 15 124.509 0.000 . . . . . . 329 ASN N . 27091 1 563 . 1 1 334 334 MET H H 1 8.692 0.007 . . . . . . 334 MET HN . 27091 1 564 . 1 1 334 334 MET N N 15 129.991 0.009 . . . . . . 334 MET N . 27091 1 565 . 1 1 335 335 GLY H H 1 8.718 0.001 . . . . . . 335 GLY HN . 27091 1 566 . 1 1 335 335 GLY N N 15 110.247 0.017 . . . . . . 335 GLY N . 27091 1 567 . 1 1 336 336 GLN H H 1 7.737 0.003 . . . . . . 336 GLN HN . 27091 1 568 . 1 1 336 336 GLN N N 15 120.800 0.030 . . . . . . 336 GLN N . 27091 1 569 . 1 1 337 337 ALA H H 1 7.303 0.001 . . . . . . 337 ALA HN . 27091 1 570 . 1 1 337 337 ALA N N 15 120.301 0.015 . . . . . . 337 ALA N . 27091 1 571 . 1 1 338 338 TRP H H 1 10.217 0.001 . . . . . . 338 TRP HN . 27091 1 572 . 1 1 338 338 TRP N N 15 124.997 0.004 . . . . . . 338 TRP N . 27091 1 573 . 1 1 339 339 ARG H H 1 6.933 0.004 . . . . . . 339 ARG HN . 27091 1 574 . 1 1 339 339 ARG N N 15 116.638 0.054 . . . . . . 339 ARG N . 27091 1 575 . 1 1 340 340 ALA H H 1 8.188 0.001 . . . . . . 340 ALA HN . 27091 1 576 . 1 1 340 340 ALA N N 15 120.502 0.036 . . . . . . 340 ALA N . 27091 1 577 . 1 1 341 341 ALA H H 1 6.843 0.004 . . . . . . 341 ALA HN . 27091 1 578 . 1 1 341 341 ALA N N 15 118.300 0.073 . . . . . . 341 ALA N . 27091 1 579 . 1 1 342 342 ARG H H 1 7.199 0.002 . . . . . . 342 ARG HN . 27091 1 580 . 1 1 342 342 ARG N N 15 116.932 0.036 . . . . . . 342 ARG N . 27091 1 581 . 1 1 343 343 GLN H H 1 8.627 0.000 . . . . . . 343 GLN HN . 27091 1 582 . 1 1 343 343 GLN N N 15 122.401 0.000 . . . . . . 343 GLN N . 27091 1 583 . 1 1 347 347 GLU H H 1 7.815 0.001 . . . . . . 347 GLU HN . 27091 1 584 . 1 1 347 347 GLU N N 15 119.251 0.013 . . . . . . 347 GLU N . 27091 1 585 . 1 1 348 348 LEU H H 1 8.222 0.000 . . . . . . 348 LEU HN . 27091 1 586 . 1 1 348 348 LEU N N 15 119.669 0.000 . . . . . . 348 LEU N . 27091 1 587 . 1 1 349 349 GLN H H 1 8.882 0.002 . . . . . . 349 GLN HN . 27091 1 588 . 1 1 349 349 GLN CA C 13 59.156 0.008 . . . . . . 349 GLN CA . 27091 1 589 . 1 1 349 349 GLN CB C 13 28.918 0.071 . . . . . . 349 GLN CB . 27091 1 590 . 1 1 349 349 GLN N N 15 120.806 0.007 . . . . . . 349 GLN N . 27091 1 591 . 1 1 350 350 GLN H H 1 7.598 0.002 . . . . . . 350 GLN HN . 27091 1 592 . 1 1 350 350 GLN CA C 13 58.352 0.016 . . . . . . 350 GLN CA . 27091 1 593 . 1 1 350 350 GLN CB C 13 27.775 0.045 . . . . . . 350 GLN CB . 27091 1 594 . 1 1 350 350 GLN N N 15 120.478 0.053 . . . . . . 350 GLN N . 27091 1 595 . 1 1 351 351 HIS H H 1 8.524 0.002 . . . . . . 351 HIS HN . 27091 1 596 . 1 1 351 351 HIS CA C 13 59.856 0.000 . . . . . . 351 HIS CA . 27091 1 597 . 1 1 351 351 HIS CB C 13 31.711 0.000 . . . . . . 351 HIS CB . 27091 1 598 . 1 1 351 351 HIS N N 15 121.624 0.010 . . . . . . 351 HIS N . 27091 1 599 . 1 1 352 352 ALA H H 1 8.209 0.004 . . . . . . 352 ALA HN . 27091 1 600 . 1 1 352 352 ALA CA C 13 55.661 0.000 . . . . . . 352 ALA CA . 27091 1 601 . 1 1 352 352 ALA N N 15 123.008 0.055 . . . . . . 352 ALA N . 27091 1 602 . 1 1 353 353 ARG H H 1 7.085 0.002 . . . . . . 353 ARG HN . 27091 1 603 . 1 1 353 353 ARG N N 15 119.733 0.041 . . . . . . 353 ARG N . 27091 1 604 . 1 1 354 354 LEU H H 1 9.356 0.005 . . . . . . 354 LEU HN . 27091 1 605 . 1 1 354 354 LEU N N 15 118.522 0.047 . . . . . . 354 LEU N . 27091 1 606 . 1 1 355 355 TRP H H 1 6.327 0.002 . . . . . . 355 TRP HN . 27091 1 607 . 1 1 355 355 TRP N N 15 114.112 0.007 . . . . . . 355 TRP N . 27091 1 608 . 1 1 356 356 GLY H H 1 7.277 0.009 . . . . . . 356 GLY HN . 27091 1 609 . 1 1 356 356 GLY N N 15 109.607 0.039 . . . . . . 356 GLY N . 27091 1 610 . 1 1 357 357 ALA H H 1 7.392 0.001 . . . . . . 357 ALA HN . 27091 1 611 . 1 1 357 357 ALA N N 15 122.159 0.008 . . . . . . 357 ALA N . 27091 1 612 . 1 1 358 358 ARG H H 1 8.692 0.000 . . . . . . 358 ARG HN . 27091 1 613 . 1 1 358 358 ARG N N 15 121.162 0.000 . . . . . . 358 ARG N . 27091 1 614 . 1 1 359 359 GLN H H 1 7.713 0.001 . . . . . . 359 GLN HN . 27091 1 615 . 1 1 359 359 GLN N N 15 116.521 0.011 . . . . . . 359 GLN N . 27091 1 616 . 1 1 360 360 ALA H H 1 7.647 0.005 . . . . . . 360 ALA HN . 27091 1 617 . 1 1 360 360 ALA N N 15 120.358 0.069 . . . . . . 360 ALA N . 27091 1 618 . 1 1 361 361 ALA H H 1 7.638 0.002 . . . . . . 361 ALA HN . 27091 1 619 . 1 1 361 361 ALA N N 15 119.833 0.014 . . . . . . 361 ALA N . 27091 1 620 . 1 1 362 362 GLN H H 1 7.808 0.002 . . . . . . 362 GLN HN . 27091 1 621 . 1 1 362 362 GLN N N 15 115.140 0.026 . . . . . . 362 GLN N . 27091 1 622 . 1 1 364 364 ASP H H 1 8.071 0.001 . . . . . . 364 ASP HN . 27091 1 623 . 1 1 364 364 ASP N N 15 123.486 0.019 . . . . . . 364 ASP N . 27091 1 624 . 1 1 365 365 LEU H H 1 7.832 0.000 . . . . . . 365 LEU HN . 27091 1 625 . 1 1 365 365 LEU N N 15 122.490 0.000 . . . . . . 365 LEU N . 27091 1 626 . 1 1 368 368 ALA H H 1 8.480 0.003 . . . . . . 368 ALA HN . 27091 1 627 . 1 1 368 368 ALA N N 15 124.322 0.016 . . . . . . 368 ALA N . 27091 1 628 . 1 1 369 369 LEU H H 1 8.728 0.002 . . . . . . 369 LEU HN . 27091 1 629 . 1 1 369 369 LEU N N 15 122.954 0.026 . . . . . . 369 LEU N . 27091 1 630 . 1 1 370 370 VAL H H 1 7.941 0.002 . . . . . . 370 VAL HN . 27091 1 631 . 1 1 370 370 VAL CA C 13 67.096 0.006 . . . . . . 370 VAL CA . 27091 1 632 . 1 1 370 370 VAL CB C 13 30.867 0.047 . . . . . . 370 VAL CB . 27091 1 633 . 1 1 370 370 VAL N N 15 121.124 0.024 . . . . . . 370 VAL N . 27091 1 634 . 1 1 371 371 HIS H H 1 8.911 0.001 . . . . . . 371 HIS HN . 27091 1 635 . 1 1 371 371 HIS CA C 13 59.143 0.007 . . . . . . 371 HIS CA . 27091 1 636 . 1 1 371 371 HIS CB C 13 29.964 0.106 . . . . . . 371 HIS CB . 27091 1 637 . 1 1 371 371 HIS N N 15 120.381 0.023 . . . . . . 371 HIS N . 27091 1 638 . 1 1 372 372 PHE H H 1 8.411 0.002 . . . . . . 372 PHE HN . 27091 1 639 . 1 1 372 372 PHE CA C 13 61.668 0.004 . . . . . . 372 PHE CA . 27091 1 640 . 1 1 372 372 PHE CB C 13 39.031 0.162 . . . . . . 372 PHE CB . 27091 1 641 . 1 1 372 372 PHE N N 15 121.939 0.049 . . . . . . 372 PHE N . 27091 1 642 . 1 1 373 373 TYR H H 1 8.342 0.002 . . . . . . 373 TYR HN . 27091 1 643 . 1 1 373 373 TYR CA C 13 59.752 0.020 . . . . . . 373 TYR CA . 27091 1 644 . 1 1 373 373 TYR CB C 13 37.147 0.062 . . . . . . 373 TYR CB . 27091 1 645 . 1 1 373 373 TYR N N 15 119.826 0.049 . . . . . . 373 TYR N . 27091 1 646 . 1 1 374 374 ARG H H 1 8.595 0.002 . . . . . . 374 ARG HN . 27091 1 647 . 1 1 374 374 ARG CA C 13 58.890 0.008 . . . . . . 374 ARG CA . 27091 1 648 . 1 1 374 374 ARG CB C 13 28.699 0.092 . . . . . . 374 ARG CB . 27091 1 649 . 1 1 374 374 ARG N N 15 120.612 0.038 . . . . . . 374 ARG N . 27091 1 650 . 1 1 375 375 ASN H H 1 7.891 0.002 . . . . . . 375 ASN HN . 27091 1 651 . 1 1 375 375 ASN CA C 13 53.689 0.013 . . . . . . 375 ASN CA . 27091 1 652 . 1 1 375 375 ASN CB C 13 37.979 0.085 . . . . . . 375 ASN CB . 27091 1 653 . 1 1 375 375 ASN N N 15 115.919 0.033 . . . . . . 375 ASN N . 27091 1 654 . 1 1 376 376 SER H H 1 7.464 0.002 . . . . . . 376 SER HN . 27091 1 655 . 1 1 376 376 SER CA C 13 58.875 0.008 . . . . . . 376 SER CA . 27091 1 656 . 1 1 376 376 SER CB C 13 63.583 0.083 . . . . . . 376 SER CB . 27091 1 657 . 1 1 376 376 SER N N 15 116.556 0.039 . . . . . . 376 SER N . 27091 1 658 . 1 1 377 377 LEU H H 1 6.743 0.001 . . . . . . 377 LEU HN . 27091 1 659 . 1 1 377 377 LEU CA C 13 56.264 0.000 . . . . . . 377 LEU CA . 27091 1 660 . 1 1 377 377 LEU CB C 13 41.806 0.000 . . . . . . 377 LEU CB . 27091 1 661 . 1 1 377 377 LEU N N 15 128.604 0.022 . . . . . . 377 LEU N . 27091 1 stop_ save_