data_25197 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25197 _Entry.Title ; wrapping silk W2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-03 _Entry.Accession_date 2014-09-03 _Entry.Last_release_date 2015-09-04 _Entry.Original_release_date 2015-09-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'W2 backbone chemical shifts' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Marie-Laurence Tremblay . . . 25197 2 Jan Rainey . K. . 25197 3 Xiang-Qin Liu . . . 25197 4 Lingling Xu . . . 25197 5 Qing Meng . . . 25197 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25197 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25197 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 786 25197 '15N chemical shifts' 374 25197 '1H chemical shifts' 374 25197 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 . . 2015-09-04 . original BMRB . 25197 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25197 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26112753 _Citation.Full_citation . _Citation.Title ; Spider wrapping silk fibre architecture arising from its modular soluble protein precursor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 5 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 11502 _Citation.Page_last 11502 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Marie-Laurence Tremblay . . . 25197 1 2 Lingling Xu . . . 25197 1 3 Thierry Lefevre . . . 25197 1 4 Muzaddid Sarker . . . 25197 1 5 Kathleen Orrell . E. . 25197 1 6 Jereie Leclerc . . . 25197 1 7 Qing Meng . . . 25197 1 8 Michel Pezolet . . . 25197 1 9 Michele Auger . . . 25197 1 10 Xiang-Qin Liu . . . 25197 1 11 Jan Rainey . K. . 25197 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25197 _Assembly.ID 1 _Assembly.Name 'wrapping silk W2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _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 'not present' _Assembly.Molecular_mass 38022.2092 _Assembly.Enzyme_commission_number none _Assembly.Details 'recombinant wrapping silk' _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 'AcSp1 W2' 1 $W2 A . yes native no no . . . 25197 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 PubMed 21989955 . . 'solution NMR' . . . 25197 1 yes PubMed 23209681 . . 'Mechanical properties' . . . 25197 1 yes PubMed 23994530 . . AFM . . . 25197 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Makes fibres tougher than Kevlar... in theory.' 25197 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_W2 _Entity.Sf_category entity _Entity.Sf_framecode W2 _Entity.Entry_ID 25197 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name W2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AGPQGGFGATGGASAGLISR VANALANTSTLRTVLRTGVS QQIASSVVQRAAQSLASTLG VDGNNLARFAVQAVSRLPAG SDTSAYAQAFSSALFNAGVL NASNIDTLGSRVLSALLNGV SSAAQGLGINVDSGSVQSDI SSSSSFLSTSSSSASYSQAS ASSTSGAGYTGPSGPSTGPS GYPGPLGGGAPFGQSGFGGS AGPQGGFGATGGASAGLISR VANALANTSTLRTVLRTGVS QQIASSVVQRAAQSLASTLG VDGNNLARFAVQAVSRLPAG SDTSAYAQAFSSALFNAGVL NASNIDTLGSRVLSALLNGV SSAAQGLGINVDSGSVQSDI SSSSSFLSTSSSSASYSQAS ASSTSGAGYTGPSGPSTGPS GYPGPLGGGAPFGQSGFGG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-399 _Entity.Polymer_author_seq_details 'as is' _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 399 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment W2 _Entity.Mutation none _Entity.EC_number none _Entity.Calc_isoelectric_point . _Entity.Formula_weight 38022.2092 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details none _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 'aciniform spider silk' 25197 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 . ALA . 25197 1 2 . GLY . 25197 1 3 . PRO . 25197 1 4 . GLN . 25197 1 5 . GLY . 25197 1 6 . GLY . 25197 1 7 . PHE . 25197 1 8 . GLY . 25197 1 9 . ALA . 25197 1 10 . THR . 25197 1 11 . GLY . 25197 1 12 . GLY . 25197 1 13 . ALA . 25197 1 14 . SER . 25197 1 15 . ALA . 25197 1 16 . GLY . 25197 1 17 . LEU . 25197 1 18 . ILE . 25197 1 19 . SER . 25197 1 20 . ARG . 25197 1 21 . VAL . 25197 1 22 . ALA . 25197 1 23 . ASN . 25197 1 24 . ALA . 25197 1 25 . LEU . 25197 1 26 . ALA . 25197 1 27 . ASN . 25197 1 28 . THR . 25197 1 29 . SER . 25197 1 30 . THR . 25197 1 31 . LEU . 25197 1 32 . ARG . 25197 1 33 . THR . 25197 1 34 . VAL . 25197 1 35 . LEU . 25197 1 36 . ARG . 25197 1 37 . THR . 25197 1 38 . GLY . 25197 1 39 . VAL . 25197 1 40 . SER . 25197 1 41 . GLN . 25197 1 42 . GLN . 25197 1 43 . ILE . 25197 1 44 . ALA . 25197 1 45 . SER . 25197 1 46 . SER . 25197 1 47 . VAL . 25197 1 48 . VAL . 25197 1 49 . GLN . 25197 1 50 . ARG . 25197 1 51 . ALA . 25197 1 52 . ALA . 25197 1 53 . GLN . 25197 1 54 . SER . 25197 1 55 . LEU . 25197 1 56 . ALA . 25197 1 57 . SER . 25197 1 58 . THR . 25197 1 59 . LEU . 25197 1 60 . GLY . 25197 1 61 . VAL . 25197 1 62 . ASP . 25197 1 63 . GLY . 25197 1 64 . ASN . 25197 1 65 . ASN . 25197 1 66 . LEU . 25197 1 67 . ALA . 25197 1 68 . ARG . 25197 1 69 . PHE . 25197 1 70 . ALA . 25197 1 71 . VAL . 25197 1 72 . GLN . 25197 1 73 . ALA . 25197 1 74 . VAL . 25197 1 75 . SER . 25197 1 76 . ARG . 25197 1 77 . LEU . 25197 1 78 . PRO . 25197 1 79 . ALA . 25197 1 80 . GLY . 25197 1 81 . SER . 25197 1 82 . ASP . 25197 1 83 . THR . 25197 1 84 . SER . 25197 1 85 . ALA . 25197 1 86 . TYR . 25197 1 87 . ALA . 25197 1 88 . GLN . 25197 1 89 . ALA . 25197 1 90 . PHE . 25197 1 91 . SER . 25197 1 92 . SER . 25197 1 93 . ALA . 25197 1 94 . LEU . 25197 1 95 . PHE . 25197 1 96 . ASN . 25197 1 97 . ALA . 25197 1 98 . GLY . 25197 1 99 . VAL . 25197 1 100 . LEU . 25197 1 101 . ASN . 25197 1 102 . ALA . 25197 1 103 . SER . 25197 1 104 . ASN . 25197 1 105 . ILE . 25197 1 106 . ASP . 25197 1 107 . THR . 25197 1 108 . LEU . 25197 1 109 . GLY . 25197 1 110 . SER . 25197 1 111 . ARG . 25197 1 112 . VAL . 25197 1 113 . LEU . 25197 1 114 . SER . 25197 1 115 . ALA . 25197 1 116 . LEU . 25197 1 117 . LEU . 25197 1 118 . ASN . 25197 1 119 . GLY . 25197 1 120 . VAL . 25197 1 121 . SER . 25197 1 122 . SER . 25197 1 123 . ALA . 25197 1 124 . ALA . 25197 1 125 . GLN . 25197 1 126 . GLY . 25197 1 127 . LEU . 25197 1 128 . GLY . 25197 1 129 . ILE . 25197 1 130 . ASN . 25197 1 131 . VAL . 25197 1 132 . ASP . 25197 1 133 . SER . 25197 1 134 . GLY . 25197 1 135 . SER . 25197 1 136 . VAL . 25197 1 137 . GLN . 25197 1 138 . SER . 25197 1 139 . ASP . 25197 1 140 . ILE . 25197 1 141 . SER . 25197 1 142 . SER . 25197 1 143 . SER . 25197 1 144 . SER . 25197 1 145 . SER . 25197 1 146 . PHE . 25197 1 147 . LEU . 25197 1 148 . SER . 25197 1 149 . THR . 25197 1 150 . SER . 25197 1 151 . SER . 25197 1 152 . SER . 25197 1 153 . SER . 25197 1 154 . ALA . 25197 1 155 . SER . 25197 1 156 . TYR . 25197 1 157 . SER . 25197 1 158 . GLN . 25197 1 159 . ALA . 25197 1 160 . SER . 25197 1 161 . ALA . 25197 1 162 . SER . 25197 1 163 . SER . 25197 1 164 . THR . 25197 1 165 . SER . 25197 1 166 . GLY . 25197 1 167 . ALA . 25197 1 168 . GLY . 25197 1 169 . TYR . 25197 1 170 . THR . 25197 1 171 . GLY . 25197 1 172 . PRO . 25197 1 173 . SER . 25197 1 174 . GLY . 25197 1 175 . PRO . 25197 1 176 . SER . 25197 1 177 . THR . 25197 1 178 . GLY . 25197 1 179 . PRO . 25197 1 180 . SER . 25197 1 181 . GLY . 25197 1 182 . TYR . 25197 1 183 . PRO . 25197 1 184 . GLY . 25197 1 185 . PRO . 25197 1 186 . LEU . 25197 1 187 . GLY . 25197 1 188 . GLY . 25197 1 189 . GLY . 25197 1 190 . ALA . 25197 1 191 . PRO . 25197 1 192 . PHE . 25197 1 193 . GLY . 25197 1 194 . GLN . 25197 1 195 . SER . 25197 1 196 . GLY . 25197 1 197 . PHE . 25197 1 198 . GLY . 25197 1 199 . GLY . 25197 1 200 . SER . 25197 1 201 . ALA . 25197 1 202 . GLY . 25197 1 203 . PRO . 25197 1 204 . GLN . 25197 1 205 . GLY . 25197 1 206 . GLY . 25197 1 207 . PHE . 25197 1 208 . GLY . 25197 1 209 . ALA . 25197 1 210 . THR . 25197 1 211 . GLY . 25197 1 212 . GLY . 25197 1 213 . ALA . 25197 1 214 . SER . 25197 1 215 . ALA . 25197 1 216 . GLY . 25197 1 217 . LEU . 25197 1 218 . ILE . 25197 1 219 . SER . 25197 1 220 . ARG . 25197 1 221 . VAL . 25197 1 222 . ALA . 25197 1 223 . ASN . 25197 1 224 . ALA . 25197 1 225 . LEU . 25197 1 226 . ALA . 25197 1 227 . ASN . 25197 1 228 . THR . 25197 1 229 . SER . 25197 1 230 . THR . 25197 1 231 . LEU . 25197 1 232 . ARG . 25197 1 233 . THR . 25197 1 234 . VAL . 25197 1 235 . LEU . 25197 1 236 . ARG . 25197 1 237 . THR . 25197 1 238 . GLY . 25197 1 239 . VAL . 25197 1 240 . SER . 25197 1 241 . GLN . 25197 1 242 . GLN . 25197 1 243 . ILE . 25197 1 244 . ALA . 25197 1 245 . SER . 25197 1 246 . SER . 25197 1 247 . VAL . 25197 1 248 . VAL . 25197 1 249 . GLN . 25197 1 250 . ARG . 25197 1 251 . ALA . 25197 1 252 . ALA . 25197 1 253 . GLN . 25197 1 254 . SER . 25197 1 255 . LEU . 25197 1 256 . ALA . 25197 1 257 . SER . 25197 1 258 . THR . 25197 1 259 . LEU . 25197 1 260 . GLY . 25197 1 261 . VAL . 25197 1 262 . ASP . 25197 1 263 . GLY . 25197 1 264 . ASN . 25197 1 265 . ASN . 25197 1 266 . LEU . 25197 1 267 . ALA . 25197 1 268 . ARG . 25197 1 269 . PHE . 25197 1 270 . ALA . 25197 1 271 . VAL . 25197 1 272 . GLN . 25197 1 273 . ALA . 25197 1 274 . VAL . 25197 1 275 . SER . 25197 1 276 . ARG . 25197 1 277 . LEU . 25197 1 278 . PRO . 25197 1 279 . ALA . 25197 1 280 . GLY . 25197 1 281 . SER . 25197 1 282 . ASP . 25197 1 283 . THR . 25197 1 284 . SER . 25197 1 285 . ALA . 25197 1 286 . TYR . 25197 1 287 . ALA . 25197 1 288 . GLN . 25197 1 289 . ALA . 25197 1 290 . PHE . 25197 1 291 . SER . 25197 1 292 . SER . 25197 1 293 . ALA . 25197 1 294 . LEU . 25197 1 295 . PHE . 25197 1 296 . ASN . 25197 1 297 . ALA . 25197 1 298 . GLY . 25197 1 299 . VAL . 25197 1 300 . LEU . 25197 1 301 . ASN . 25197 1 302 . ALA . 25197 1 303 . SER . 25197 1 304 . ASN . 25197 1 305 . ILE . 25197 1 306 . ASP . 25197 1 307 . THR . 25197 1 308 . LEU . 25197 1 309 . GLY . 25197 1 310 . SER . 25197 1 311 . ARG . 25197 1 312 . VAL . 25197 1 313 . LEU . 25197 1 314 . SER . 25197 1 315 . ALA . 25197 1 316 . LEU . 25197 1 317 . LEU . 25197 1 318 . ASN . 25197 1 319 . GLY . 25197 1 320 . VAL . 25197 1 321 . SER . 25197 1 322 . SER . 25197 1 323 . ALA . 25197 1 324 . ALA . 25197 1 325 . GLN . 25197 1 326 . GLY . 25197 1 327 . LEU . 25197 1 328 . GLY . 25197 1 329 . ILE . 25197 1 330 . ASN . 25197 1 331 . VAL . 25197 1 332 . ASP . 25197 1 333 . SER . 25197 1 334 . GLY . 25197 1 335 . SER . 25197 1 336 . VAL . 25197 1 337 . GLN . 25197 1 338 . SER . 25197 1 339 . ASP . 25197 1 340 . ILE . 25197 1 341 . SER . 25197 1 342 . SER . 25197 1 343 . SER . 25197 1 344 . SER . 25197 1 345 . SER . 25197 1 346 . PHE . 25197 1 347 . LEU . 25197 1 348 . SER . 25197 1 349 . THR . 25197 1 350 . SER . 25197 1 351 . SER . 25197 1 352 . SER . 25197 1 353 . SER . 25197 1 354 . ALA . 25197 1 355 . SER . 25197 1 356 . TYR . 25197 1 357 . SER . 25197 1 358 . GLN . 25197 1 359 . ALA . 25197 1 360 . SER . 25197 1 361 . ALA . 25197 1 362 . SER . 25197 1 363 . SER . 25197 1 364 . THR . 25197 1 365 . SER . 25197 1 366 . GLY . 25197 1 367 . ALA . 25197 1 368 . GLY . 25197 1 369 . TYR . 25197 1 370 . THR . 25197 1 371 . GLY . 25197 1 372 . PRO . 25197 1 373 . SER . 25197 1 374 . GLY . 25197 1 375 . PRO . 25197 1 376 . SER . 25197 1 377 . THR . 25197 1 378 . GLY . 25197 1 379 . PRO . 25197 1 380 . SER . 25197 1 381 . GLY . 25197 1 382 . TYR . 25197 1 383 . PRO . 25197 1 384 . GLY . 25197 1 385 . PRO . 25197 1 386 . LEU . 25197 1 387 . GLY . 25197 1 388 . GLY . 25197 1 389 . GLY . 25197 1 390 . ALA . 25197 1 391 . PRO . 25197 1 392 . PHE . 25197 1 393 . GLY . 25197 1 394 . GLN . 25197 1 395 . SER . 25197 1 396 . GLY . 25197 1 397 . PHE . 25197 1 398 . GLY . 25197 1 399 . GLY . 25197 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 . ALA 1 1 25197 1 . GLY 2 2 25197 1 . PRO 3 3 25197 1 . GLN 4 4 25197 1 . GLY 5 5 25197 1 . GLY 6 6 25197 1 . PHE 7 7 25197 1 . GLY 8 8 25197 1 . ALA 9 9 25197 1 . THR 10 10 25197 1 . GLY 11 11 25197 1 . GLY 12 12 25197 1 . ALA 13 13 25197 1 . SER 14 14 25197 1 . ALA 15 15 25197 1 . GLY 16 16 25197 1 . LEU 17 17 25197 1 . ILE 18 18 25197 1 . SER 19 19 25197 1 . ARG 20 20 25197 1 . VAL 21 21 25197 1 . ALA 22 22 25197 1 . ASN 23 23 25197 1 . ALA 24 24 25197 1 . LEU 25 25 25197 1 . ALA 26 26 25197 1 . ASN 27 27 25197 1 . THR 28 28 25197 1 . SER 29 29 25197 1 . THR 30 30 25197 1 . LEU 31 31 25197 1 . ARG 32 32 25197 1 . THR 33 33 25197 1 . VAL 34 34 25197 1 . LEU 35 35 25197 1 . ARG 36 36 25197 1 . THR 37 37 25197 1 . GLY 38 38 25197 1 . VAL 39 39 25197 1 . SER 40 40 25197 1 . GLN 41 41 25197 1 . GLN 42 42 25197 1 . ILE 43 43 25197 1 . ALA 44 44 25197 1 . SER 45 45 25197 1 . SER 46 46 25197 1 . VAL 47 47 25197 1 . VAL 48 48 25197 1 . GLN 49 49 25197 1 . ARG 50 50 25197 1 . ALA 51 51 25197 1 . ALA 52 52 25197 1 . GLN 53 53 25197 1 . SER 54 54 25197 1 . LEU 55 55 25197 1 . ALA 56 56 25197 1 . SER 57 57 25197 1 . THR 58 58 25197 1 . LEU 59 59 25197 1 . GLY 60 60 25197 1 . VAL 61 61 25197 1 . ASP 62 62 25197 1 . GLY 63 63 25197 1 . ASN 64 64 25197 1 . ASN 65 65 25197 1 . LEU 66 66 25197 1 . ALA 67 67 25197 1 . ARG 68 68 25197 1 . PHE 69 69 25197 1 . ALA 70 70 25197 1 . VAL 71 71 25197 1 . GLN 72 72 25197 1 . ALA 73 73 25197 1 . VAL 74 74 25197 1 . SER 75 75 25197 1 . ARG 76 76 25197 1 . LEU 77 77 25197 1 . PRO 78 78 25197 1 . ALA 79 79 25197 1 . GLY 80 80 25197 1 . SER 81 81 25197 1 . ASP 82 82 25197 1 . THR 83 83 25197 1 . SER 84 84 25197 1 . ALA 85 85 25197 1 . TYR 86 86 25197 1 . ALA 87 87 25197 1 . GLN 88 88 25197 1 . ALA 89 89 25197 1 . PHE 90 90 25197 1 . SER 91 91 25197 1 . SER 92 92 25197 1 . ALA 93 93 25197 1 . LEU 94 94 25197 1 . PHE 95 95 25197 1 . ASN 96 96 25197 1 . ALA 97 97 25197 1 . GLY 98 98 25197 1 . VAL 99 99 25197 1 . LEU 100 100 25197 1 . ASN 101 101 25197 1 . ALA 102 102 25197 1 . SER 103 103 25197 1 . ASN 104 104 25197 1 . ILE 105 105 25197 1 . ASP 106 106 25197 1 . THR 107 107 25197 1 . LEU 108 108 25197 1 . GLY 109 109 25197 1 . SER 110 110 25197 1 . ARG 111 111 25197 1 . VAL 112 112 25197 1 . LEU 113 113 25197 1 . SER 114 114 25197 1 . ALA 115 115 25197 1 . LEU 116 116 25197 1 . LEU 117 117 25197 1 . ASN 118 118 25197 1 . GLY 119 119 25197 1 . VAL 120 120 25197 1 . SER 121 121 25197 1 . SER 122 122 25197 1 . ALA 123 123 25197 1 . ALA 124 124 25197 1 . GLN 125 125 25197 1 . GLY 126 126 25197 1 . LEU 127 127 25197 1 . GLY 128 128 25197 1 . ILE 129 129 25197 1 . ASN 130 130 25197 1 . VAL 131 131 25197 1 . ASP 132 132 25197 1 . SER 133 133 25197 1 . GLY 134 134 25197 1 . SER 135 135 25197 1 . VAL 136 136 25197 1 . GLN 137 137 25197 1 . SER 138 138 25197 1 . ASP 139 139 25197 1 . ILE 140 140 25197 1 . SER 141 141 25197 1 . SER 142 142 25197 1 . SER 143 143 25197 1 . SER 144 144 25197 1 . SER 145 145 25197 1 . PHE 146 146 25197 1 . LEU 147 147 25197 1 . SER 148 148 25197 1 . THR 149 149 25197 1 . SER 150 150 25197 1 . SER 151 151 25197 1 . SER 152 152 25197 1 . SER 153 153 25197 1 . ALA 154 154 25197 1 . SER 155 155 25197 1 . TYR 156 156 25197 1 . SER 157 157 25197 1 . GLN 158 158 25197 1 . ALA 159 159 25197 1 . SER 160 160 25197 1 . ALA 161 161 25197 1 . SER 162 162 25197 1 . SER 163 163 25197 1 . THR 164 164 25197 1 . SER 165 165 25197 1 . GLY 166 166 25197 1 . ALA 167 167 25197 1 . GLY 168 168 25197 1 . TYR 169 169 25197 1 . THR 170 170 25197 1 . GLY 171 171 25197 1 . PRO 172 172 25197 1 . SER 173 173 25197 1 . GLY 174 174 25197 1 . PRO 175 175 25197 1 . SER 176 176 25197 1 . THR 177 177 25197 1 . GLY 178 178 25197 1 . PRO 179 179 25197 1 . SER 180 180 25197 1 . GLY 181 181 25197 1 . TYR 182 182 25197 1 . PRO 183 183 25197 1 . GLY 184 184 25197 1 . PRO 185 185 25197 1 . LEU 186 186 25197 1 . GLY 187 187 25197 1 . GLY 188 188 25197 1 . GLY 189 189 25197 1 . ALA 190 190 25197 1 . PRO 191 191 25197 1 . PHE 192 192 25197 1 . GLY 193 193 25197 1 . GLN 194 194 25197 1 . SER 195 195 25197 1 . GLY 196 196 25197 1 . PHE 197 197 25197 1 . GLY 198 198 25197 1 . GLY 199 199 25197 1 . SER 200 200 25197 1 . ALA 201 201 25197 1 . GLY 202 202 25197 1 . PRO 203 203 25197 1 . GLN 204 204 25197 1 . GLY 205 205 25197 1 . GLY 206 206 25197 1 . PHE 207 207 25197 1 . GLY 208 208 25197 1 . ALA 209 209 25197 1 . THR 210 210 25197 1 . GLY 211 211 25197 1 . GLY 212 212 25197 1 . ALA 213 213 25197 1 . SER 214 214 25197 1 . ALA 215 215 25197 1 . GLY 216 216 25197 1 . LEU 217 217 25197 1 . ILE 218 218 25197 1 . SER 219 219 25197 1 . ARG 220 220 25197 1 . VAL 221 221 25197 1 . ALA 222 222 25197 1 . ASN 223 223 25197 1 . ALA 224 224 25197 1 . LEU 225 225 25197 1 . ALA 226 226 25197 1 . ASN 227 227 25197 1 . THR 228 228 25197 1 . SER 229 229 25197 1 . THR 230 230 25197 1 . LEU 231 231 25197 1 . ARG 232 232 25197 1 . THR 233 233 25197 1 . VAL 234 234 25197 1 . LEU 235 235 25197 1 . ARG 236 236 25197 1 . THR 237 237 25197 1 . GLY 238 238 25197 1 . VAL 239 239 25197 1 . SER 240 240 25197 1 . GLN 241 241 25197 1 . GLN 242 242 25197 1 . ILE 243 243 25197 1 . ALA 244 244 25197 1 . SER 245 245 25197 1 . SER 246 246 25197 1 . VAL 247 247 25197 1 . VAL 248 248 25197 1 . GLN 249 249 25197 1 . ARG 250 250 25197 1 . ALA 251 251 25197 1 . ALA 252 252 25197 1 . GLN 253 253 25197 1 . SER 254 254 25197 1 . LEU 255 255 25197 1 . ALA 256 256 25197 1 . SER 257 257 25197 1 . THR 258 258 25197 1 . LEU 259 259 25197 1 . GLY 260 260 25197 1 . VAL 261 261 25197 1 . ASP 262 262 25197 1 . GLY 263 263 25197 1 . ASN 264 264 25197 1 . ASN 265 265 25197 1 . LEU 266 266 25197 1 . ALA 267 267 25197 1 . ARG 268 268 25197 1 . PHE 269 269 25197 1 . ALA 270 270 25197 1 . VAL 271 271 25197 1 . GLN 272 272 25197 1 . ALA 273 273 25197 1 . VAL 274 274 25197 1 . SER 275 275 25197 1 . ARG 276 276 25197 1 . LEU 277 277 25197 1 . PRO 278 278 25197 1 . ALA 279 279 25197 1 . GLY 280 280 25197 1 . SER 281 281 25197 1 . ASP 282 282 25197 1 . THR 283 283 25197 1 . SER 284 284 25197 1 . ALA 285 285 25197 1 . TYR 286 286 25197 1 . ALA 287 287 25197 1 . GLN 288 288 25197 1 . ALA 289 289 25197 1 . PHE 290 290 25197 1 . SER 291 291 25197 1 . SER 292 292 25197 1 . ALA 293 293 25197 1 . LEU 294 294 25197 1 . PHE 295 295 25197 1 . ASN 296 296 25197 1 . ALA 297 297 25197 1 . GLY 298 298 25197 1 . VAL 299 299 25197 1 . LEU 300 300 25197 1 . ASN 301 301 25197 1 . ALA 302 302 25197 1 . SER 303 303 25197 1 . ASN 304 304 25197 1 . ILE 305 305 25197 1 . ASP 306 306 25197 1 . THR 307 307 25197 1 . LEU 308 308 25197 1 . GLY 309 309 25197 1 . SER 310 310 25197 1 . ARG 311 311 25197 1 . VAL 312 312 25197 1 . LEU 313 313 25197 1 . SER 314 314 25197 1 . ALA 315 315 25197 1 . LEU 316 316 25197 1 . LEU 317 317 25197 1 . ASN 318 318 25197 1 . GLY 319 319 25197 1 . VAL 320 320 25197 1 . SER 321 321 25197 1 . SER 322 322 25197 1 . ALA 323 323 25197 1 . ALA 324 324 25197 1 . GLN 325 325 25197 1 . GLY 326 326 25197 1 . LEU 327 327 25197 1 . GLY 328 328 25197 1 . ILE 329 329 25197 1 . ASN 330 330 25197 1 . VAL 331 331 25197 1 . ASP 332 332 25197 1 . SER 333 333 25197 1 . GLY 334 334 25197 1 . SER 335 335 25197 1 . VAL 336 336 25197 1 . GLN 337 337 25197 1 . SER 338 338 25197 1 . ASP 339 339 25197 1 . ILE 340 340 25197 1 . SER 341 341 25197 1 . SER 342 342 25197 1 . SER 343 343 25197 1 . SER 344 344 25197 1 . SER 345 345 25197 1 . PHE 346 346 25197 1 . LEU 347 347 25197 1 . SER 348 348 25197 1 . THR 349 349 25197 1 . SER 350 350 25197 1 . SER 351 351 25197 1 . SER 352 352 25197 1 . SER 353 353 25197 1 . ALA 354 354 25197 1 . SER 355 355 25197 1 . TYR 356 356 25197 1 . SER 357 357 25197 1 . GLN 358 358 25197 1 . ALA 359 359 25197 1 . SER 360 360 25197 1 . ALA 361 361 25197 1 . SER 362 362 25197 1 . SER 363 363 25197 1 . THR 364 364 25197 1 . SER 365 365 25197 1 . GLY 366 366 25197 1 . ALA 367 367 25197 1 . GLY 368 368 25197 1 . TYR 369 369 25197 1 . THR 370 370 25197 1 . GLY 371 371 25197 1 . PRO 372 372 25197 1 . SER 373 373 25197 1 . GLY 374 374 25197 1 . PRO 375 375 25197 1 . SER 376 376 25197 1 . THR 377 377 25197 1 . GLY 378 378 25197 1 . PRO 379 379 25197 1 . SER 380 380 25197 1 . GLY 381 381 25197 1 . TYR 382 382 25197 1 . PRO 383 383 25197 1 . GLY 384 384 25197 1 . PRO 385 385 25197 1 . LEU 386 386 25197 1 . GLY 387 387 25197 1 . GLY 388 388 25197 1 . GLY 389 389 25197 1 . ALA 390 390 25197 1 . PRO 391 391 25197 1 . PHE 392 392 25197 1 . GLY 393 393 25197 1 . GLN 394 394 25197 1 . SER 395 395 25197 1 . GLY 396 396 25197 1 . PHE 397 397 25197 1 . GLY 398 398 25197 1 . GLY 399 399 25197 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 25197 _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 $W2 . 156845 organism . 'Argiope trifasciata' spider . . Eukaryota Metazoa Argiope trifasciata none none 'aciniform spidroin' . . . . . . . . 'AcSp1 gene' . 25197 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 25197 _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 $W2 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli BL21' . . Escherichia coli BL21 DE3 . . . . pET31 . . none 25197 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_W2-1 _Sample.Sf_category sample _Sample.Sf_framecode W2-1 _Sample.Entry_ID 25197 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'aa 1-199 uniformly 13C and 15N labelled' _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 W2 '[U-13C; U-15N]' . . 1 $W2 . . 0.2 . . mM . . . . 25197 1 2 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 25197 1 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25197 1 4 'sodium acetate' [U-2H] . . . . . . 20 . . mM . . . . 25197 1 stop_ save_ save_W2-2 _Sample.Sf_category sample _Sample.Sf_framecode W2-2 _Sample.Entry_ID 25197 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'aa201-399 uniformly 13C and 15N labelled' _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 W2 '[U-13C; U-15N]' . . 1 $W2 . . 0.2 . . mM . . . . 25197 2 2 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 25197 2 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 25197 2 4 'sodium acetate' [U-2H] . . . . . . 20 . . mM . . . . 25197 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample1 _Sample_condition_list.Entry_ID 25197 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM sodium acetate, 1mM DSS, 1mM NaN3' 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' 0.100 . M 25197 1 pH 5.020 . pH 25197 1 pressure 1.000 . atm 25197 1 temperature 303.150 . K 25197 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25197 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25197 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectrum display, data Analysis' 25197 1 stop_ save_ save_NMRpipe _Software.Sf_category software _Software.Sf_framecode NMRpipe _Software.Entry_ID 25197 _Software.ID 2 _Software.Name NMRpipe _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Dr. Delaglio and Dr. Bax' NIH http://spin.niddk.nih.gov/NMRPipe/ 25197 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Data processing' 25197 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NRC700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NRC700 _NMR_spectrometer.Entry_ID 25197 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25197 _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 NRC700 Bruker Avance . 700 . . . 25197 1 stop_ save_ save_cryo _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode cryo _NMR_spectrometer_probe.Entry_ID 25197 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model Avance _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter 0.5 _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 25197 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 25197 _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 '3D HNCO' no . . . . . . . . . . 1 $W2-1 isotropic . . 1 $sample1 . . . 1 $NRC700 1 $cryo . . . . . . . . . . . . . . 25197 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $W2-1 isotropic . . 1 $sample1 . . . 1 $NRC700 1 $cryo . . . . . . . . . . . . . . 25197 1 3 '3D HNCA' no . . . . . . . . . . 1 $W2-1 isotropic . . 1 $sample1 . . . 1 $NRC700 1 $cryo . . . . . . . . . . . . . . 25197 1 4 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $W2-1 isotropic . . 1 $sample1 . . . 1 $NRC700 1 $cryo . . . . . . . . . . . . . . 25197 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $W2-1 isotropic . . 1 $sample1 . . . 1 $NRC700 1 $cryo . . . . . . . . . . . . . . 25197 1 6 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 2 $W2-2 isotropic . . 1 $sample1 . . . 1 $NRC700 1 $cryo . . . . . . . . . . . . . . 25197 1 7 '3D HNCA' no . . . . . . . . . . 2 $W2-2 isotropic . . 1 $sample1 . . . 1 $NRC700 1 $cryo . . . . . . . . . . . . . . 25197 1 8 '3D HN(CO)CA' no . . . . . . . . . . 2 $W2-2 isotropic . . 1 $sample1 . . . 1 $NRC700 1 $cryo . . . . . . . . . . . . . . 25197 1 9 '3D HN(CA)CO' no . . . . . . . . . . 2 $W2-2 isotropic . . 1 $sample1 . . . 1 $NRC700 1 $cryo . . . . . . . . . . . . . . 25197 1 10 '3D HNCO' no . . . . . . . . . . 2 $W2-2 isotropic . . 1 $sample1 . . . 1 $NRC700 1 $cryo . . . . . . . . . . . . . . 25197 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 25197 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.25 . . . . . . . . . 25197 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25197 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.10 . . . . . . . . . 25197 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25197 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample1 _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 '3D HNCO' 1 $W2-1 isotropic 25197 1 2 '3D HN(CO)CA' 1 $W2-1 isotropic 25197 1 3 '3D HNCA' 1 $W2-1 isotropic 25197 1 4 '2D 1H-15N HSQC/HMQC' 1 $W2-1 isotropic 25197 1 5 '3D HN(CA)CO' 1 $W2-1 isotropic 25197 1 6 '2D 1H-15N HSQC/HMQC' 2 $W2-2 isotropic 25197 1 7 '3D HNCA' 2 $W2-2 isotropic 25197 1 8 '3D HN(CO)CA' 2 $W2-2 isotropic 25197 1 9 '3D HN(CA)CO' 2 $W2-2 isotropic 25197 1 10 '3D HNCO' 2 $W2-2 isotropic 25197 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25197 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 ALA C C 13 177.522 . . 1 . 1093 . . 1 ALA C . 25197 1 2 . 1 1 1 1 ALA CA C 13 52.533 . . 1 . 1094 . . 1 ALA CA . 25197 1 3 . 1 1 2 2 GLY H H 1 8.235 0.002 . 1 . 1701 . . 2 GLY H . 25197 1 4 . 1 1 2 2 GLY C C 13 171.896 . . 1 . 1046 . . 2 GLY C . 25197 1 5 . 1 1 2 2 GLY CA C 13 44.543 . . 1 . 1047 . . 2 GLY CA . 25197 1 6 . 1 1 2 2 GLY N N 15 108.458 0.058 . 1 . 1700 . . 2 GLY N . 25197 1 7 . 1 1 3 3 PRO C C 13 177.446 . . 1 . 1012 . . 3 PRO C . 25197 1 8 . 1 1 3 3 PRO CA C 13 63.352 . . 1 . 709 . . 3 PRO CA . 25197 1 9 . 1 1 4 4 GLN H H 1 8.576 0.001 . 1 . 1557 . . 4 GLN H . 25197 1 10 . 1 1 4 4 GLN C C 13 176.569 0.007 . 1 . 1011 . . 4 GLN C . 25197 1 11 . 1 1 4 4 GLN CA C 13 55.999 0.015 . 1 . 708 . . 4 GLN CA . 25197 1 12 . 1 1 4 4 GLN N N 15 120.771 0.01 . 1 . 1556 . . 4 GLN N . 25197 1 13 . 1 1 5 5 GLY H H 1 8.350 0.002 . 1 . 1853 . . 5 GLY H . 25197 1 14 . 1 1 5 5 GLY C C 13 174.416 0.01 . 1 . 1043 . . 5 GLY C . 25197 1 15 . 1 1 5 5 GLY CA C 13 45.323 0.014 . 1 . 711 . . 5 GLY CA . 25197 1 16 . 1 1 5 5 GLY N N 15 109.796 0.038 . 1 . 1852 . . 5 GLY N . 25197 1 17 . 1 1 6 6 GLY H H 1 8.134 0.001 . 1 . 1833 . . 6 GLY H . 25197 1 18 . 1 1 6 6 GLY C C 13 174.022 0.012 . 1 . 1042 . . 6 GLY C . 25197 1 19 . 1 1 6 6 GLY CA C 13 45.133 0.026 . 1 . 710 . . 6 GLY CA . 25197 1 20 . 1 1 6 6 GLY N N 15 108.282 0.025 . 1 . 1832 . . 6 GLY N . 25197 1 21 . 1 1 7 7 PHE H H 1 8.188 0.001 . 1 . 1501 . . 7 PHE H . 25197 1 22 . 1 1 7 7 PHE C C 13 176.459 0.005 . 1 . 1039 . . 7 PHE C . 25197 1 23 . 1 1 7 7 PHE CA C 13 58.097 0.039 . 1 . 712 . . 7 PHE CA . 25197 1 24 . 1 1 7 7 PHE N N 15 119.813 0.032 . 1 . 1500 . . 7 PHE N . 25197 1 25 . 1 1 8 8 GLY H H 1 8.390 0.003 . 1 . 1825 . . 8 GLY H . 25197 1 26 . 1 1 8 8 GLY C C 13 173.938 0.008 . 1 . 1040 . . 8 GLY C . 25197 1 27 . 1 1 8 8 GLY CA C 13 45.343 0.006 . 1 . 1041 . . 8 GLY CA . 25197 1 28 . 1 1 8 8 GLY N N 15 110.337 0.02 . 1 . 1824 . . 8 GLY N . 25197 1 29 . 1 1 9 9 ALA H H 1 8.141 0.005 . 1 . 1655 . . 9 ALA H . 25197 1 30 . 1 1 9 9 ALA C C 13 178.192 0.014 . 1 . 1004 . . 9 ALA C . 25197 1 31 . 1 1 9 9 ALA CA C 13 52.688 0.006 . 1 . 714 . . 9 ALA CA . 25197 1 32 . 1 1 9 9 ALA N N 15 123.718 0.048 . 1 . 1654 . . 9 ALA N . 25197 1 33 . 1 1 10 10 THR H H 1 8.109 0.001 . 1 . 1571 . . 10 THR H . 25197 1 34 . 1 1 10 10 THR C C 13 175.285 0.01 . 1 . 1005 . . 10 THR C . 25197 1 35 . 1 1 10 10 THR CA C 13 61.946 0.015 . 1 . 713 . . 10 THR CA . 25197 1 36 . 1 1 10 10 THR N N 15 112.199 0.018 . 1 . 1570 . . 10 THR N . 25197 1 37 . 1 1 11 11 GLY H H 1 8.334 0.004 . 1 . 1549 . . 11 GLY H . 25197 1 38 . 1 1 11 11 GLY C C 13 174.696 0.075 . 1 . 1091 . . 11 GLY C . 25197 1 39 . 1 1 11 11 GLY CA C 13 45.378 0.006 . 1 . 715 . . 11 GLY CA . 25197 1 40 . 1 1 11 11 GLY N N 15 110.776 0.033 . 1 . 1548 . . 11 GLY N . 25197 1 41 . 1 1 12 12 GLY H H 1 8.204 0.004 . 1 . 1773 . . 12 GLY H . 25197 1 42 . 1 1 12 12 GLY C C 13 174.541 0.0 . 1 . 1096 . . 12 GLY C . 25197 1 43 . 1 1 12 12 GLY CA C 13 45.398 . . 1 . 716 . . 12 GLY CA . 25197 1 44 . 1 1 12 12 GLY N N 15 108.398 0.011 . 1 . 1772 . . 12 GLY N . 25197 1 45 . 1 1 13 13 ALA H H 1 8.320 0.001 . 1 . 1595 . . 13 ALA H . 25197 1 46 . 1 1 13 13 ALA C C 13 178.283 0.01 . 1 . 1092 . . 13 ALA C . 25197 1 47 . 1 1 13 13 ALA CA C 13 53.060 0.043 . 1 . 717 . . 13 ALA CA . 25197 1 48 . 1 1 13 13 ALA N N 15 123.966 0.021 . 1 . 1594 . . 13 ALA N . 25197 1 49 . 1 1 14 14 SER H H 1 8.174 0.002 . 1 . 1623 . . 14 SER H . 25197 1 50 . 1 1 14 14 SER C C 13 174.834 0.01 . 1 . 720 . . 14 SER C . 25197 1 51 . 1 1 14 14 SER CA C 13 58.783 0.01 . 1 . 718 . . 14 SER CA . 25197 1 52 . 1 1 14 14 SER N N 15 114.130 0.069 . 1 . 1622 . . 14 SER N . 25197 1 53 . 1 1 15 15 ALA H H 1 8.153 0.001 . 1 . 1553 . . 15 ALA H . 25197 1 54 . 1 1 15 15 ALA C C 13 179.994 0.01 . 1 . 722 . . 15 ALA C . 25197 1 55 . 1 1 15 15 ALA CA C 13 55.035 0.009 . 1 . 719 . . 15 ALA CA . 25197 1 56 . 1 1 15 15 ALA N N 15 124.768 0.049 . 1 . 1552 . . 15 ALA N . 25197 1 57 . 1 1 16 16 GLY H H 1 8.377 0.001 . 1 . 1849 . . 16 GLY H . 25197 1 58 . 1 1 16 16 GLY C C 13 176.120 0.002 . 1 . 723 . . 16 GLY C . 25197 1 59 . 1 1 16 16 GLY CA C 13 46.579 0.002 . 1 . 721 . . 16 GLY CA . 25197 1 60 . 1 1 16 16 GLY N N 15 106.053 0.023 . 1 . 1848 . . 16 GLY N . 25197 1 61 . 1 1 17 17 LEU H H 1 7.494 0.001 . 1 . 1641 . . 17 LEU H . 25197 1 62 . 1 1 17 17 LEU C C 13 177.810 0.013 . 1 . 726 . . 17 LEU C . 25197 1 63 . 1 1 17 17 LEU CA C 13 57.682 0.0 . 1 . 724 . . 17 LEU CA . 25197 1 64 . 1 1 17 17 LEU N N 15 122.909 0.025 . 1 . 1640 . . 17 LEU N . 25197 1 65 . 1 1 18 18 ILE H H 1 7.501 0.001 . 1 . 1607 . . 18 ILE H . 25197 1 66 . 1 1 18 18 ILE C C 13 180.403 0.009 . 1 . 729 . . 18 ILE C . 25197 1 67 . 1 1 18 18 ILE CA C 13 64.751 0.014 . 1 . 725 . . 18 ILE CA . 25197 1 68 . 1 1 18 18 ILE N N 15 118.375 0.023 . 1 . 1606 . . 18 ILE N . 25197 1 69 . 1 1 19 19 SER H H 1 8.075 0.001 . 1 . 1633 . . 19 SER H . 25197 1 70 . 1 1 19 19 SER C C 13 175.674 0.001 . 1 . 730 . . 19 SER C . 25197 1 71 . 1 1 19 19 SER CA C 13 61.656 0.002 . 1 . 728 . . 19 SER CA . 25197 1 72 . 1 1 19 19 SER N N 15 115.512 0.017 . 1 . 1632 . . 19 SER N . 25197 1 73 . 1 1 20 20 ARG H H 1 7.843 0.001 . 1 . 1661 . . 20 ARG H . 25197 1 74 . 1 1 20 20 ARG C C 13 178.839 0.0 . 1 . 1008 . . 20 ARG C . 25197 1 75 . 1 1 20 20 ARG CA C 13 59.993 0.011 . 1 . 727 . . 20 ARG CA . 25197 1 76 . 1 1 20 20 ARG N N 15 123.093 0.019 . 1 . 1660 . . 20 ARG N . 25197 1 77 . 1 1 21 21 VAL H H 1 7.753 0.002 . 1 . 1787 . . 21 VAL H . 25197 1 78 . 1 1 21 21 VAL C C 13 177.194 0.011 . 1 . 847 . . 21 VAL C . 25197 1 79 . 1 1 21 21 VAL CA C 13 66.815 0.007 . 1 . 731 . . 21 VAL CA . 25197 1 80 . 1 1 21 21 VAL N N 15 118.357 0.022 . 1 . 1786 . . 21 VAL N . 25197 1 81 . 1 1 22 22 ALA H H 1 8.302 0.002 . 1 . 1709 . . 22 ALA H . 25197 1 82 . 1 1 22 22 ALA C C 13 179.162 0.005 . 1 . 846 . . 22 ALA C . 25197 1 83 . 1 1 22 22 ALA CA C 13 55.804 0.008 . 1 . 732 . . 22 ALA CA . 25197 1 84 . 1 1 22 22 ALA N N 15 121.190 0.036 . 1 . 1708 . . 22 ALA N . 25197 1 85 . 1 1 23 23 ASN H H 1 8.643 0.001 . 1 . 1831 . . 23 ASN H . 25197 1 86 . 1 1 23 23 ASN C C 13 177.166 0.008 . 1 . 736 . . 23 ASN C . 25197 1 87 . 1 1 23 23 ASN CA C 13 55.961 0.009 . 1 . 733 . . 23 ASN CA . 25197 1 88 . 1 1 23 23 ASN N N 15 116.173 0.025 . 1 . 1830 . . 23 ASN N . 25197 1 89 . 1 1 24 24 ALA H H 1 7.536 0.001 . 1 . 1669 . . 24 ALA H . 25197 1 90 . 1 1 24 24 ALA C C 13 179.733 0.012 . 1 . 735 . . 24 ALA C . 25197 1 91 . 1 1 24 24 ALA CA C 13 54.717 0.007 . 1 . 734 . . 24 ALA CA . 25197 1 92 . 1 1 24 24 ALA N N 15 121.166 0.043 . 1 . 1668 . . 24 ALA N . 25197 1 93 . 1 1 25 25 LEU H H 1 7.819 0.002 . 1 . 1777 . . 25 LEU H . 25197 1 94 . 1 1 25 25 LEU C C 13 178.894 0.017 . 1 . 737 . . 25 LEU C . 25197 1 95 . 1 1 25 25 LEU CA C 13 56.911 0.016 . 1 . 738 . . 25 LEU CA . 25197 1 96 . 1 1 25 25 LEU N N 15 115.024 0.046 . 1 . 1776 . . 25 LEU N . 25197 1 97 . 1 1 26 26 ALA H H 1 8.822 0.002 . 1 . 1813 . . 26 ALA H . 25197 1 98 . 1 1 26 26 ALA C C 13 176.854 0.013 . 1 . 742 . . 26 ALA C . 25197 1 99 . 1 1 26 26 ALA CA C 13 54.675 0.011 . 1 . 739 . . 26 ALA CA . 25197 1 100 . 1 1 26 26 ALA N N 15 121.224 0.029 . 1 . 1812 . . 26 ALA N . 25197 1 101 . 1 1 27 27 ASN H H 1 7.085 0.001 . 1 . 1537 . . 27 ASN H . 25197 1 102 . 1 1 27 27 ASN C C 13 175.506 0.005 . 1 . 743 . . 27 ASN C . 25197 1 103 . 1 1 27 27 ASN CA C 13 52.645 0.004 . 1 . 740 . . 27 ASN CA . 25197 1 104 . 1 1 27 27 ASN N N 15 113.030 0.01 . 1 . 1536 . . 27 ASN N . 25197 1 105 . 1 1 28 28 THR H H 1 7.402 0.001 . 1 . 1657 . . 28 THR H . 25197 1 106 . 1 1 28 28 THR C C 13 174.331 0.011 . 1 . 744 . . 28 THR C . 25197 1 107 . 1 1 28 28 THR CA C 13 60.810 0.001 . 1 . 741 . . 28 THR CA . 25197 1 108 . 1 1 28 28 THR N N 15 109.641 0.02 . 1 . 1656 . . 28 THR N . 25197 1 109 . 1 1 29 29 SER H H 1 9.897 0.002 . 1 . 1733 . . 29 SER H . 25197 1 110 . 1 1 29 29 SER C C 13 178.616 0.025 . 1 . 745 . . 29 SER C . 25197 1 111 . 1 1 29 29 SER CA C 13 61.969 0.023 . 1 . 746 . . 29 SER CA . 25197 1 112 . 1 1 29 29 SER N N 15 122.692 0.044 . 1 . 1732 . . 29 SER N . 25197 1 113 . 1 1 30 30 THR H H 1 10.259 0.008 . 1 . 1599 . . 30 THR H . 25197 1 114 . 1 1 30 30 THR C C 13 175.480 0.005 . 1 . 755 . . 30 THR C . 25197 1 115 . 1 1 30 30 THR CA C 13 68.309 0.022 . 1 . 747 . . 30 THR CA . 25197 1 116 . 1 1 30 30 THR N N 15 120.764 0.015 . 1 . 1598 . . 30 THR N . 25197 1 117 . 1 1 31 31 LEU H H 1 7.400 0.003 . 1 . 1707 . . 31 LEU H . 25197 1 118 . 1 1 31 31 LEU C C 13 178.278 0.008 . 1 . 752 . . 31 LEU C . 25197 1 119 . 1 1 31 31 LEU CA C 13 59.786 0.009 . 1 . 748 . . 31 LEU CA . 25197 1 120 . 1 1 31 31 LEU N N 15 118.688 0.07 . 1 . 1706 . . 31 LEU N . 25197 1 121 . 1 1 32 32 ARG H H 1 7.617 0.001 . 1 . 1527 . . 32 ARG H . 25197 1 122 . 1 1 32 32 ARG C C 13 177.737 0.006 . 1 . 753 . . 32 ARG C . 25197 1 123 . 1 1 32 32 ARG CA C 13 58.969 0.006 . 1 . 749 . . 32 ARG CA . 25197 1 124 . 1 1 32 32 ARG N N 15 114.440 0.017 . 1 . 1526 . . 32 ARG N . 25197 1 125 . 1 1 33 33 THR H H 1 7.785 0.002 . 1 . 1687 . . 33 THR H . 25197 1 126 . 1 1 33 33 THR C C 13 174.688 0.004 . 1 . 754 . . 33 THR C . 25197 1 127 . 1 1 33 33 THR CA C 13 65.369 0.001 . 1 . 750 . . 33 THR CA . 25197 1 128 . 1 1 33 33 THR N N 15 111.337 0.022 . 1 . 1686 . . 33 THR N . 25197 1 129 . 1 1 34 34 VAL H H 1 7.394 0.002 . 1 . 1815 . . 34 VAL H . 25197 1 130 . 1 1 34 34 VAL C C 13 175.023 0.004 . 1 . 756 . . 34 VAL C . 25197 1 131 . 1 1 34 34 VAL CA C 13 65.440 0.071 . 1 . 751 . . 34 VAL CA . 25197 1 132 . 1 1 34 34 VAL N N 15 118.537 0.045 . 1 . 1814 . . 34 VAL N . 25197 1 133 . 1 1 35 35 LEU H H 1 8.106 0.001 . 1 . 1735 . . 35 LEU H . 25197 1 134 . 1 1 35 35 LEU C C 13 172.923 0.01 . 1 . 762 . . 35 LEU C . 25197 1 135 . 1 1 35 35 LEU CA C 13 52.068 0.009 . 1 . 757 . . 35 LEU CA . 25197 1 136 . 1 1 35 35 LEU N N 15 119.515 0.025 . 1 . 1734 . . 35 LEU N . 25197 1 137 . 1 1 36 36 ARG H H 1 6.274 0.001 . 1 . 1581 . . 36 ARG H . 25197 1 138 . 1 1 36 36 ARG C C 13 174.571 0.021 . 1 . 763 . . 36 ARG C . 25197 1 139 . 1 1 36 36 ARG CA C 13 53.842 0.013 . 1 . 758 . . 36 ARG CA . 25197 1 140 . 1 1 36 36 ARG N N 15 116.536 0.022 . 1 . 1580 . . 36 ARG N . 25197 1 141 . 1 1 37 37 THR H H 1 8.309 0.001 . 1 . 1523 . . 37 THR H . 25197 1 142 . 1 1 37 37 THR C C 13 175.685 0.018 . 1 . 764 . . 37 THR C . 25197 1 143 . 1 1 37 37 THR CA C 13 65.181 0.001 . 1 . 759 . . 37 THR CA . 25197 1 144 . 1 1 37 37 THR N N 15 117.169 0.03 . 1 . 1522 . . 37 THR N . 25197 1 145 . 1 1 38 38 GLY H H 1 8.929 0.001 . 1 . 1525 . . 38 GLY H . 25197 1 146 . 1 1 38 38 GLY C C 13 174.870 0.0 . 1 . 765 . . 38 GLY C . 25197 1 147 . 1 1 38 38 GLY CA C 13 45.021 0.026 . 1 . 760 . . 38 GLY CA . 25197 1 148 . 1 1 38 38 GLY N N 15 115.121 0.024 . 1 . 1524 . . 38 GLY N . 25197 1 149 . 1 1 39 39 VAL H H 1 8.064 0.003 . 1 . 1685 . . 39 VAL H . 25197 1 150 . 1 1 39 39 VAL C C 13 174.735 0.003 . 1 . 766 . . 39 VAL C . 25197 1 151 . 1 1 39 39 VAL CA C 13 62.131 0.007 . 1 . 761 . . 39 VAL CA . 25197 1 152 . 1 1 39 39 VAL N N 15 122.743 0.042 . 1 . 1684 . . 39 VAL N . 25197 1 153 . 1 1 40 40 SER H H 1 8.422 0.001 . 1 . 1675 . . 40 SER H . 25197 1 154 . 1 1 40 40 SER C C 13 175.159 0.015 . 1 . 772 . . 40 SER C . 25197 1 155 . 1 1 40 40 SER CA C 13 57.890 0.005 . 1 . 767 . . 40 SER CA . 25197 1 156 . 1 1 40 40 SER N N 15 123.105 0.035 . 1 . 1674 . . 40 SER N . 25197 1 157 . 1 1 41 41 GLN H H 1 9.057 0.001 . 1 . 1689 . . 41 GLN H . 25197 1 158 . 1 1 41 41 GLN C C 13 178.817 0.011 . 1 . 773 . . 41 GLN C . 25197 1 159 . 1 1 41 41 GLN CA C 13 59.430 . . 1 . 768 . . 41 GLN CA . 25197 1 160 . 1 1 41 41 GLN N N 15 123.814 0.014 . 1 . 1688 . . 41 GLN N . 25197 1 161 . 1 1 42 42 GLN H H 1 8.573 0.004 . 1 . 1531 . . 42 GLN H . 25197 1 162 . 1 1 42 42 GLN C C 13 178.868 0.0 . 1 . 775 . . 42 GLN C . 25197 1 163 . 1 1 42 42 GLN CA C 13 59.446 0.014 . 1 . 770 . . 42 GLN CA . 25197 1 164 . 1 1 42 42 GLN N N 15 118.865 0.096 . 1 . 1530 . . 42 GLN N . 25197 1 165 . 1 1 43 43 ILE H H 1 7.467 0.001 . 1 . 1741 . . 43 ILE H . 25197 1 166 . 1 1 43 43 ILE C C 13 177.522 0.004 . 1 . 774 . . 43 ILE C . 25197 1 167 . 1 1 43 43 ILE CA C 13 63.507 0.002 . 1 . 769 . . 43 ILE CA . 25197 1 168 . 1 1 43 43 ILE N N 15 121.318 0.039 . 1 . 1740 . . 43 ILE N . 25197 1 169 . 1 1 44 44 ALA H H 1 8.524 0.001 . 1 . 1497 . . 44 ALA H . 25197 1 170 . 1 1 44 44 ALA C C 13 179.274 0.005 . 1 . 776 . . 44 ALA C . 25197 1 171 . 1 1 44 44 ALA CA C 13 55.687 0.157 . 1 . 771 . . 44 ALA CA . 25197 1 172 . 1 1 44 44 ALA N N 15 121.536 0.022 . 1 . 1496 . . 44 ALA N . 25197 1 173 . 1 1 45 45 SER H H 1 8.314 0.003 . 1 . 1605 . . 45 SER H . 25197 1 174 . 1 1 45 45 SER C C 13 176.230 . . 1 . 797 . . 45 SER C . 25197 1 175 . 1 1 45 45 SER CA C 13 62.313 . . 1 . 1020 . . 45 SER CA . 25197 1 176 . 1 1 45 45 SER N N 15 110.144 0.012 . 1 . 1604 . . 45 SER N . 25197 1 177 . 1 1 46 46 SER H H 1 7.635 0.002 . 1 . 1621 . . 46 SER H . 25197 1 178 . 1 1 46 46 SER C C 13 176.662 0.008 . 1 . 796 . . 46 SER C . 25197 1 179 . 1 1 46 46 SER CA C 13 62.371 0.002 . 1 . 780 . . 46 SER CA . 25197 1 180 . 1 1 46 46 SER N N 15 117.026 0.013 . 1 . 1098 . . 46 SER N . 25197 1 181 . 1 1 47 47 VAL H H 1 8.646 0.001 . 1 . 1637 . . 47 VAL H . 25197 1 182 . 1 1 47 47 VAL C C 13 177.486 0.024 . 1 . 794 . . 47 VAL C . 25197 1 183 . 1 1 47 47 VAL CA C 13 66.872 0.008 . 1 . 777 . . 47 VAL CA . 25197 1 184 . 1 1 47 47 VAL N N 15 120.718 0.076 . 1 . 1636 . . 47 VAL N . 25197 1 185 . 1 1 48 48 VAL H H 1 8.180 0.001 . 1 . 1757 . . 48 VAL H . 25197 1 186 . 1 1 48 48 VAL C C 13 177.018 . . 1 . 795 . . 48 VAL C . 25197 1 187 . 1 1 48 48 VAL CA C 13 66.912 0.011 . 1 . 778 . . 48 VAL CA . 25197 1 188 . 1 1 48 48 VAL N N 15 116.241 0.023 . 1 . 1756 . . 48 VAL N . 25197 1 189 . 1 1 49 49 GLN H H 1 8.269 0.001 . 1 . 1659 . . 49 GLN H . 25197 1 190 . 1 1 49 49 GLN C C 13 177.815 0.017 . 1 . 787 . . 49 GLN C . 25197 1 191 . 1 1 49 49 GLN CA C 13 60.307 0.034 . 1 . 779 . . 49 GLN CA . 25197 1 192 . 1 1 49 49 GLN N N 15 119.790 0.033 . 1 . 1658 . . 49 GLN N . 25197 1 193 . 1 1 50 50 ARG H H 1 8.011 0.002 . 1 . 1529 . . 50 ARG H . 25197 1 194 . 1 1 50 50 ARG C C 13 179.698 0.011 . 1 . 788 . . 50 ARG C . 25197 1 195 . 1 1 50 50 ARG CA C 13 59.003 0.012 . 1 . 781 . . 50 ARG CA . 25197 1 196 . 1 1 50 50 ARG N N 15 117.351 0.009 . 1 . 1528 . . 50 ARG N . 25197 1 197 . 1 1 51 51 ALA H H 1 9.006 0.001 . 1 . 1561 . . 51 ALA H . 25197 1 198 . 1 1 51 51 ALA C C 13 179.353 0.001 . 1 . 789 . . 51 ALA C . 25197 1 199 . 1 1 51 51 ALA CA C 13 55.474 0.015 . 1 . 782 . . 51 ALA CA . 25197 1 200 . 1 1 51 51 ALA N N 15 122.153 0.035 . 1 . 1560 . . 51 ALA N . 25197 1 201 . 1 1 52 52 ALA H H 1 8.567 0.002 . 1 . 1495 . . 52 ALA H . 25197 1 202 . 1 1 52 52 ALA C C 13 178.956 . . 1 . 790 . . 52 ALA C . 25197 1 203 . 1 1 52 52 ALA CA C 13 55.547 0.003 . 1 . 783 . . 52 ALA CA . 25197 1 204 . 1 1 52 52 ALA N N 15 119.356 0.022 . 1 . 1494 . . 52 ALA N . 25197 1 205 . 1 1 53 53 GLN H H 1 7.921 0.001 . 1 . 1603 . . 53 GLN H . 25197 1 206 . 1 1 53 53 GLN C C 13 179.342 0.002 . 1 . 791 . . 53 GLN C . 25197 1 207 . 1 1 53 53 GLN CA C 13 59.343 0.005 . 1 . 784 . . 53 GLN CA . 25197 1 208 . 1 1 53 53 GLN N N 15 116.162 0.023 . 1 . 1602 . . 53 GLN N . 25197 1 209 . 1 1 54 54 SER H H 1 8.303 0.001 . 1 . 1823 . . 54 SER H . 25197 1 210 . 1 1 54 54 SER C C 13 176.860 0.05 . 1 . 792 . . 54 SER C . 25197 1 211 . 1 1 54 54 SER CA C 13 61.765 0.025 . 1 . 785 . . 54 SER CA . 25197 1 212 . 1 1 54 54 SER N N 15 116.196 0.026 . 1 . 1822 . . 54 SER N . 25197 1 213 . 1 1 55 55 LEU H H 1 8.495 0.002 . 1 . 1767 . . 55 LEU H . 25197 1 214 . 1 1 55 55 LEU C C 13 178.016 0.013 . 1 . 793 . . 55 LEU C . 25197 1 215 . 1 1 55 55 LEU CA C 13 58.460 0.068 . 1 . 786 . . 55 LEU CA . 25197 1 216 . 1 1 55 55 LEU N N 15 123.185 0.024 . 1 . 1766 . . 55 LEU N . 25197 1 217 . 1 1 56 56 ALA H H 1 8.196 0.011 . 1 . 1783 . . 56 ALA H . 25197 1 218 . 1 1 56 56 ALA C C 13 179.602 0.008 . 1 . 798 . . 56 ALA C . 25197 1 219 . 1 1 56 56 ALA CA C 13 55.544 0.028 . 1 . 799 . . 56 ALA CA . 25197 1 220 . 1 1 56 56 ALA N N 15 121.831 0.057 . 1 . 1782 . . 56 ALA N . 25197 1 221 . 1 1 57 57 SER H H 1 7.997 0.001 . 1 . 1791 . . 57 SER H . 25197 1 222 . 1 1 57 57 SER C C 13 177.281 . . 1 . 814 . . 57 SER C . 25197 1 223 . 1 1 57 57 SER CA C 13 61.337 0.011 . 1 . 800 . . 57 SER CA . 25197 1 224 . 1 1 57 57 SER N N 15 112.904 0.022 . 1 . 1790 . . 57 SER N . 25197 1 225 . 1 1 58 58 THR H H 1 8.050 0.002 . 1 . 1671 . . 58 THR H . 25197 1 226 . 1 1 58 58 THR C C 13 175.702 0.023 . 1 . 815 . . 58 THR C . 25197 1 227 . 1 1 58 58 THR CA C 13 65.933 0.012 . 1 . 801 . . 58 THR CA . 25197 1 228 . 1 1 58 58 THR N N 15 117.391 0.033 . 1 . 1670 . . 58 THR N . 25197 1 229 . 1 1 59 59 LEU H H 1 7.901 0.001 . 1 . 1547 . . 59 LEU H . 25197 1 230 . 1 1 59 59 LEU C C 13 177.203 0.013 . 1 . 808 . . 59 LEU C . 25197 1 231 . 1 1 59 59 LEU CA C 13 55.049 0.003 . 1 . 802 . . 59 LEU CA . 25197 1 232 . 1 1 59 59 LEU N N 15 118.116 0.029 . 1 . 1546 . . 59 LEU N . 25197 1 233 . 1 1 60 60 GLY H H 1 8.008 0.001 . 1 . 1509 . . 60 GLY H . 25197 1 234 . 1 1 60 60 GLY C C 13 175.066 0.007 . 1 . 809 . . 60 GLY C . 25197 1 235 . 1 1 60 60 GLY CA C 13 46.607 0.004 . 1 . 803 . . 60 GLY CA . 25197 1 236 . 1 1 60 60 GLY N N 15 108.862 0.026 . 1 . 1508 . . 60 GLY N . 25197 1 237 . 1 1 61 61 VAL H H 1 7.567 0.008 . 1 . 1725 . . 61 VAL H . 25197 1 238 . 1 1 61 61 VAL C C 13 174.876 0.001 . 1 . 810 . . 61 VAL C . 25197 1 239 . 1 1 61 61 VAL CA C 13 58.902 0.034 . 1 . 804 . . 61 VAL CA . 25197 1 240 . 1 1 61 61 VAL N N 15 111.793 0.048 . 1 . 1724 . . 61 VAL N . 25197 1 241 . 1 1 62 62 ASP H H 1 8.336 0.002 . 1 . 1809 . . 62 ASP H . 25197 1 242 . 1 1 62 62 ASP C C 13 177.911 0.017 . 1 . 811 . . 62 ASP C . 25197 1 243 . 1 1 62 62 ASP CA C 13 54.925 0.005 . 1 . 805 . . 62 ASP CA . 25197 1 244 . 1 1 62 62 ASP N N 15 119.772 0.052 . 1 . 1808 . . 62 ASP N . 25197 1 245 . 1 1 63 63 GLY H H 1 8.871 0.001 . 1 . 1719 . . 63 GLY H . 25197 1 246 . 1 1 63 63 GLY C C 13 174.879 0.007 . 1 . 812 . . 63 GLY C . 25197 1 247 . 1 1 63 63 GLY CA C 13 46.935 0.006 . 1 . 806 . . 63 GLY CA . 25197 1 248 . 1 1 63 63 GLY N N 15 115.881 0.021 . 1 . 1718 . . 63 GLY N . 25197 1 249 . 1 1 64 64 ASN H H 1 8.361 0.001 . 1 . 1859 . . 64 ASN H . 25197 1 250 . 1 1 64 64 ASN C C 13 177.904 0.016 . 1 . 813 . . 64 ASN C . 25197 1 251 . 1 1 64 64 ASN CA C 13 56.556 0.003 . 1 . 807 . . 64 ASN CA . 25197 1 252 . 1 1 64 64 ASN N N 15 120.584 0.032 . 1 . 1858 . . 64 ASN N . 25197 1 253 . 1 1 65 65 ASN H H 1 8.436 0.011 . 1 . 1755 . . 65 ASN H . 25197 1 254 . 1 1 65 65 ASN C C 13 176.689 0.008 . 1 . 822 . . 65 ASN C . 25197 1 255 . 1 1 65 65 ASN CA C 13 56.138 0.045 . 1 . 816 . . 65 ASN CA . 25197 1 256 . 1 1 65 65 ASN N N 15 119.391 0.064 . 1 . 1754 . . 65 ASN N . 25197 1 257 . 1 1 66 66 LEU H H 1 7.933 0.001 . 1 . 1499 . . 66 LEU H . 25197 1 258 . 1 1 66 66 LEU C C 13 177.838 0.011 . 1 . 823 . . 66 LEU C . 25197 1 259 . 1 1 66 66 LEU CA C 13 58.646 0.007 . 1 . 817 . . 66 LEU CA . 25197 1 260 . 1 1 66 66 LEU N N 15 118.977 0.026 . 1 . 1498 . . 66 LEU N . 25197 1 261 . 1 1 67 67 ALA H H 1 8.528 0.001 . 1 . 1565 . . 67 ALA H . 25197 1 262 . 1 1 67 67 ALA C C 13 178.707 0.007 . 1 . 824 . . 67 ALA C . 25197 1 263 . 1 1 67 67 ALA CA C 13 55.740 0.001 . 1 . 818 . . 67 ALA CA . 25197 1 264 . 1 1 67 67 ALA N N 15 118.984 0.049 . 1 . 1564 . . 67 ALA N . 25197 1 265 . 1 1 68 68 ARG H H 1 7.760 0.002 . 1 . 1635 . . 68 ARG H . 25197 1 266 . 1 1 68 68 ARG C C 13 179.433 0.006 . 1 . 825 . . 68 ARG C . 25197 1 267 . 1 1 68 68 ARG CA C 13 59.964 0.028 . 1 . 819 . . 68 ARG CA . 25197 1 268 . 1 1 68 68 ARG N N 15 117.610 0.027 . 1 . 1634 . . 68 ARG N . 25197 1 269 . 1 1 69 69 PHE H H 1 8.031 0.002 . 1 . 1771 . . 69 PHE H . 25197 1 270 . 1 1 69 69 PHE C C 13 179.201 0.012 . 1 . 826 . . 69 PHE C . 25197 1 271 . 1 1 69 69 PHE CA C 13 61.673 0.021 . 1 . 820 . . 69 PHE CA . 25197 1 272 . 1 1 69 69 PHE N N 15 116.841 0.053 . 1 . 1770 . . 69 PHE N . 25197 1 273 . 1 1 70 70 ALA H H 1 8.732 0.001 . 1 . 1697 . . 70 ALA H . 25197 1 274 . 1 1 70 70 ALA C C 13 178.287 0.002 . 1 . 827 . . 70 ALA C . 25197 1 275 . 1 1 70 70 ALA CA C 13 55.847 0.02 . 1 . 821 . . 70 ALA CA . 25197 1 276 . 1 1 70 70 ALA N N 15 123.133 0.021 . 1 . 1696 . . 70 ALA N . 25197 1 277 . 1 1 71 71 VAL H H 1 8.744 0.002 . 1 . 1841 . . 71 VAL H . 25197 1 278 . 1 1 71 71 VAL C C 13 179.272 0.01 . 1 . 828 . . 71 VAL C . 25197 1 279 . 1 1 71 71 VAL CA C 13 66.857 0.014 . 1 . 832 . . 71 VAL CA . 25197 1 280 . 1 1 71 71 VAL N N 15 117.831 0.027 . 1 . 1840 . . 71 VAL N . 25197 1 281 . 1 1 72 72 GLN H H 1 8.125 0.001 . 1 . 1745 . . 72 GLN H . 25197 1 282 . 1 1 72 72 GLN C C 13 178.584 0.008 . 1 . 829 . . 72 GLN C . 25197 1 283 . 1 1 72 72 GLN CA C 13 59.363 0.011 . 1 . 833 . . 72 GLN CA . 25197 1 284 . 1 1 72 72 GLN N N 15 120.642 0.022 . 1 . 1744 . . 72 GLN N . 25197 1 285 . 1 1 73 73 ALA H H 1 7.857 0.001 . 1 . 1779 . . 73 ALA H . 25197 1 286 . 1 1 73 73 ALA C C 13 180.852 0.008 . 1 . 830 . . 73 ALA C . 25197 1 287 . 1 1 73 73 ALA CA C 13 55.177 0.002 . 1 . 834 . . 73 ALA CA . 25197 1 288 . 1 1 73 73 ALA N N 15 119.982 0.033 . 1 . 1778 . . 73 ALA N . 25197 1 289 . 1 1 74 74 VAL H H 1 8.083 0.001 . 1 . 1515 . . 74 VAL H . 25197 1 290 . 1 1 74 74 VAL C C 13 178.351 0.012 . 1 . 831 . . 74 VAL C . 25197 1 291 . 1 1 74 74 VAL CA C 13 65.133 0.049 . 1 . 835 . . 74 VAL CA . 25197 1 292 . 1 1 74 74 VAL N N 15 115.006 0.073 . 1 . 1514 . . 74 VAL N . 25197 1 293 . 1 1 75 75 SER H H 1 8.362 0.001 . 1 . 1539 . . 75 SER H . 25197 1 294 . 1 1 75 75 SER C C 13 174.486 . . 1 . 838 . . 75 SER C . 25197 1 295 . 1 1 75 75 SER CA C 13 61.366 0.011 . 1 . 836 . . 75 SER CA . 25197 1 296 . 1 1 75 75 SER N N 15 117.106 0.032 . 1 . 1538 . . 75 SER N . 25197 1 297 . 1 1 76 76 ARG H H 1 6.953 0.001 . 1 . 1835 . . 76 ARG H . 25197 1 298 . 1 1 76 76 ARG C C 13 176.501 0.006 . 1 . 839 . . 76 ARG C . 25197 1 299 . 1 1 76 76 ARG CA C 13 55.767 0.013 . 1 . 837 . . 76 ARG CA . 25197 1 300 . 1 1 76 76 ARG N N 15 117.501 0.025 . 1 . 1834 . . 76 ARG N . 25197 1 301 . 1 1 77 77 LEU H H 1 7.323 0.001 . 1 . 1543 . . 77 LEU H . 25197 1 302 . 1 1 77 77 LEU C C 13 175.387 . . 1 . 840 . . 77 LEU C . 25197 1 303 . 1 1 77 77 LEU CA C 13 52.927 . . 1 . 848 . . 77 LEU CA . 25197 1 304 . 1 1 77 77 LEU N N 15 121.749 0.021 . 1 . 1542 . . 77 LEU N . 25197 1 305 . 1 1 78 78 PRO C C 13 177.550 . . 1 . 841 . . 78 PRO C . 25197 1 306 . 1 1 78 78 PRO CA C 13 61.981 . . 1 . 850 . . 78 PRO CA . 25197 1 307 . 1 1 79 79 ALA H H 1 8.755 0.001 . 1 . 1645 . . 79 ALA H . 25197 1 308 . 1 1 79 79 ALA C C 13 178.840 0.006 . 1 . 842 . . 79 ALA C . 25197 1 309 . 1 1 79 79 ALA CA C 13 53.554 0.007 . 1 . 849 . . 79 ALA CA . 25197 1 310 . 1 1 79 79 ALA N N 15 125.934 0.044 . 1 . 1644 . . 79 ALA N . 25197 1 311 . 1 1 80 80 GLY H H 1 8.938 0.002 . 1 . 1573 . . 80 GLY H . 25197 1 312 . 1 1 80 80 GLY C C 13 175.038 0.004 . 1 . 843 . . 80 GLY C . 25197 1 313 . 1 1 80 80 GLY CA C 13 45.629 0.005 . 1 . 851 . . 80 GLY CA . 25197 1 314 . 1 1 80 80 GLY N N 15 110.496 0.029 . 1 . 1572 . . 80 GLY N . 25197 1 315 . 1 1 81 81 SER H H 1 7.537 0.001 . 1 . 1763 . . 81 SER H . 25197 1 316 . 1 1 81 81 SER C C 13 171.539 0.015 . 1 . 844 . . 81 SER C . 25197 1 317 . 1 1 81 81 SER CA C 13 61.481 0.0 . 1 . 852 . . 81 SER CA . 25197 1 318 . 1 1 81 81 SER N N 15 117.043 0.035 . 1 . 1762 . . 81 SER N . 25197 1 319 . 1 1 82 82 ASP H H 1 8.295 0.001 . 1 . 1795 . . 82 ASP H . 25197 1 320 . 1 1 82 82 ASP C C 13 176.652 0.007 . 1 . 845 . . 82 ASP C . 25197 1 321 . 1 1 82 82 ASP CA C 13 52.085 0.001 . 1 . 853 . . 82 ASP CA . 25197 1 322 . 1 1 82 82 ASP N N 15 121.208 0.043 . 1 . 1794 . . 82 ASP N . 25197 1 323 . 1 1 83 83 THR H H 1 8.281 0.002 . 1 . 1615 . . 83 THR H . 25197 1 324 . 1 1 83 83 THR C C 13 176.329 0.011 . 1 . 862 . . 83 THR C . 25197 1 325 . 1 1 83 83 THR CA C 13 67.321 0.01 . 1 . 854 . . 83 THR CA . 25197 1 326 . 1 1 83 83 THR N N 15 115.022 0.051 . 1 . 1614 . . 83 THR N . 25197 1 327 . 1 1 84 84 SER H H 1 8.609 0.0 . 1 . 1727 . . 84 SER H . 25197 1 328 . 1 1 84 84 SER C C 13 175.941 . . 1 . 863 . . 84 SER C . 25197 1 329 . 1 1 84 84 SER CA C 13 62.562 0.003 . 1 . 855 . . 84 SER CA . 25197 1 330 . 1 1 84 84 SER N N 15 115.932 0.024 . 1 . 1726 . . 84 SER N . 25197 1 331 . 1 1 85 85 ALA H H 1 7.815 0.001 . 1 . 1743 . . 85 ALA H . 25197 1 332 . 1 1 85 85 ALA C C 13 180.902 0.006 . 1 . 864 . . 85 ALA C . 25197 1 333 . 1 1 85 85 ALA CA C 13 54.982 0.008 . 1 . 856 . . 85 ALA CA . 25197 1 334 . 1 1 85 85 ALA N N 15 125.919 0.031 . 1 . 1742 . . 85 ALA N . 25197 1 335 . 1 1 86 86 TYR H H 1 7.627 0.002 . 1 . 1765 . . 86 TYR H . 25197 1 336 . 1 1 86 86 TYR C C 13 178.237 0.009 . 1 . 865 . . 86 TYR C . 25197 1 337 . 1 1 86 86 TYR CA C 13 62.958 0.027 . 1 . 857 . . 86 TYR CA . 25197 1 338 . 1 1 86 86 TYR N N 15 117.777 0.041 . 1 . 1764 . . 86 TYR N . 25197 1 339 . 1 1 87 87 ALA H H 1 8.841 0.002 . 1 . 1609 . . 87 ALA H . 25197 1 340 . 1 1 87 87 ALA C C 13 179.504 0.012 . 1 . 866 . . 87 ALA C . 25197 1 341 . 1 1 87 87 ALA CA C 13 55.770 0.01 . 1 . 858 . . 87 ALA CA . 25197 1 342 . 1 1 87 87 ALA N N 15 121.819 0.025 . 1 . 1608 . . 87 ALA N . 25197 1 343 . 1 1 88 88 GLN H H 1 8.230 0.002 . 1 . 1713 . . 88 GLN H . 25197 1 344 . 1 1 88 88 GLN C C 13 177.863 0.009 . 1 . 867 . . 88 GLN C . 25197 1 345 . 1 1 88 88 GLN CA C 13 59.389 0.011 . 1 . 859 . . 88 GLN CA . 25197 1 346 . 1 1 88 88 GLN N N 15 119.165 0.05 . 1 . 1712 . . 88 GLN N . 25197 1 347 . 1 1 89 89 ALA H H 1 7.949 0.002 . 1 . 1563 . . 89 ALA H . 25197 1 348 . 1 1 89 89 ALA C C 13 179.596 0.007 . 1 . 868 . . 89 ALA C . 25197 1 349 . 1 1 89 89 ALA CA C 13 55.166 0.002 . 1 . 860 . . 89 ALA CA . 25197 1 350 . 1 1 89 89 ALA N N 15 122.977 0.046 . 1 . 1562 . . 89 ALA N . 25197 1 351 . 1 1 90 90 PHE H H 1 8.433 0.001 . 1 . 1861 . . 90 PHE H . 25197 1 352 . 1 1 90 90 PHE C C 13 178.400 0.012 . 1 . 869 . . 90 PHE C . 25197 1 353 . 1 1 90 90 PHE CA C 13 60.413 0.012 . 1 . 861 . . 90 PHE CA . 25197 1 354 . 1 1 90 90 PHE N N 15 117.459 0.042 . 1 . 1860 . . 90 PHE N . 25197 1 355 . 1 1 91 91 SER H H 1 8.408 0.001 . 1 . 1493 . . 91 SER H . 25197 1 356 . 1 1 91 91 SER C C 13 176.863 . . 1 . 877 . . 91 SER C . 25197 1 357 . 1 1 91 91 SER CA C 13 61.862 0.003 . 1 . 870 . . 91 SER CA . 25197 1 358 . 1 1 91 91 SER N N 15 111.571 0.046 . 1 . 1492 . . 91 SER N . 25197 1 359 . 1 1 92 92 SER H H 1 8.728 0.001 . 1 . 1625 . . 92 SER H . 25197 1 360 . 1 1 92 92 SER C C 13 176.511 . . 1 . 1095 . . 92 SER C . 25197 1 361 . 1 1 92 92 SER CA C 13 62.546 0.03 . 1 . 871 . . 92 SER CA . 25197 1 362 . 1 1 92 92 SER N N 15 113.048 0.046 . 1 . 1624 . . 92 SER N . 25197 1 363 . 1 1 93 93 ALA H H 1 7.923 0.001 . 1 . 1647 . . 93 ALA H . 25197 1 364 . 1 1 93 93 ALA C C 13 178.515 0.072 . 1 . 881 . . 93 ALA C . 25197 1 365 . 1 1 93 93 ALA CA C 13 55.844 0.008 . 1 . 872 . . 93 ALA CA . 25197 1 366 . 1 1 93 93 ALA N N 15 123.711 0.044 . 1 . 1646 . . 93 ALA N . 25197 1 367 . 1 1 94 94 LEU H H 1 8.048 0.004 . 1 . 1751 . . 94 LEU H . 25197 1 368 . 1 1 94 94 LEU C C 13 179.282 0.06 . 1 . 880 . . 94 LEU C . 25197 1 369 . 1 1 94 94 LEU CA C 13 58.424 0.007 . 1 . 873 . . 94 LEU CA . 25197 1 370 . 1 1 94 94 LEU N N 15 116.500 0.048 . 1 . 1750 . . 94 LEU N . 25197 1 371 . 1 1 95 95 PHE H H 1 7.774 0.002 . 1 . 1579 . . 95 PHE H . 25197 1 372 . 1 1 95 95 PHE C C 13 180.184 0.012 . 1 . 879 . . 95 PHE C . 25197 1 373 . 1 1 95 95 PHE CA C 13 60.748 0.012 . 1 . 874 . . 95 PHE CA . 25197 1 374 . 1 1 95 95 PHE N N 15 117.294 0.023 . 1 . 1578 . . 95 PHE N . 25197 1 375 . 1 1 96 96 ASN H H 1 9.207 0.001 . 1 . 1717 . . 96 ASN H . 25197 1 376 . 1 1 96 96 ASN C C 13 176.625 0.008 . 1 . 878 . . 96 ASN C . 25197 1 377 . 1 1 96 96 ASN CA C 13 56.066 0.025 . 1 . 875 . . 96 ASN CA . 25197 1 378 . 1 1 96 96 ASN N N 15 122.296 0.04 . 1 . 1716 . . 96 ASN N . 25197 1 379 . 1 1 97 97 ALA H H 1 8.104 0.005 . 1 . 1839 . . 97 ALA H . 25197 1 380 . 1 1 97 97 ALA C C 13 177.419 0.014 . 1 . 882 . . 97 ALA C . 25197 1 381 . 1 1 97 97 ALA CA C 13 52.241 0.007 . 1 . 876 . . 97 ALA CA . 25197 1 382 . 1 1 97 97 ALA N N 15 117.309 0.077 . 1 . 1838 . . 97 ALA N . 25197 1 383 . 1 1 98 98 GLY H H 1 7.508 0.001 . 1 . 1761 . . 98 GLY H . 25197 1 384 . 1 1 98 98 GLY C C 13 174.230 0.009 . 1 . 883 . . 98 GLY C . 25197 1 385 . 1 1 98 98 GLY CA C 13 45.521 0.002 . 1 . 889 . . 98 GLY CA . 25197 1 386 . 1 1 98 98 GLY N N 15 105.113 0.014 . 1 . 1760 . . 98 GLY N . 25197 1 387 . 1 1 99 99 VAL H H 1 7.637 0.001 . 1 . 1591 . . 99 VAL H . 25197 1 388 . 1 1 99 99 VAL C C 13 175.867 0.012 . 1 . 885 . . 99 VAL C . 25197 1 389 . 1 1 99 99 VAL CA C 13 64.911 0.014 . 1 . 887 . . 99 VAL CA . 25197 1 390 . 1 1 99 99 VAL N N 15 119.026 0.027 . 1 . 1590 . . 99 VAL N . 25197 1 391 . 1 1 100 100 LEU H H 1 6.401 0.002 . 1 . 1805 . . 100 LEU H . 25197 1 392 . 1 1 100 100 LEU C C 13 174.448 0.007 . 1 . 886 . . 100 LEU C . 25197 1 393 . 1 1 100 100 LEU CA C 13 51.496 0.001 . 1 . 888 . . 100 LEU CA . 25197 1 394 . 1 1 100 100 LEU N N 15 112.963 0.022 . 1 . 1804 . . 100 LEU N . 25197 1 395 . 1 1 101 101 ASN H H 1 8.682 0.001 . 1 . 1541 . . 101 ASN H . 25197 1 396 . 1 1 101 101 ASN C C 13 173.898 0.004 . 1 . 897 . . 101 ASN C . 25197 1 397 . 1 1 101 101 ASN CA C 13 52.199 0.01 . 1 . 890 . . 101 ASN CA . 25197 1 398 . 1 1 101 101 ASN N N 15 114.582 0.028 . 1 . 1540 . . 101 ASN N . 25197 1 399 . 1 1 102 102 ALA H H 1 8.867 0.001 . 1 . 1851 . . 102 ALA H . 25197 1 400 . 1 1 102 102 ALA C C 13 178.924 0.008 . 1 . 898 . . 102 ALA C . 25197 1 401 . 1 1 102 102 ALA CA C 13 55.163 0.01 . 1 . 891 . . 102 ALA CA . 25197 1 402 . 1 1 102 102 ALA N N 15 118.708 0.028 . 1 . 1850 . . 102 ALA N . 25197 1 403 . 1 1 103 103 SER H H 1 8.419 0.002 . 1 . 1585 . . 103 SER H . 25197 1 404 . 1 1 103 103 SER C C 13 175.615 0.01 . 1 . 899 . . 103 SER C . 25197 1 405 . 1 1 103 103 SER CA C 13 60.059 0.023 . 1 . 892 . . 103 SER CA . 25197 1 406 . 1 1 103 103 SER N N 15 111.457 0.041 . 1 . 1584 . . 103 SER N . 25197 1 407 . 1 1 104 104 ASN H H 1 7.998 0.001 . 1 . 1593 . . 104 ASN H . 25197 1 408 . 1 1 104 104 ASN C C 13 178.770 0.01 . 1 . 900 . . 104 ASN C . 25197 1 409 . 1 1 104 104 ASN CA C 13 52.002 0.014 . 1 . 893 . . 104 ASN CA . 25197 1 410 . 1 1 104 104 ASN N N 15 118.738 0.045 . 1 . 1592 . . 104 ASN N . 25197 1 411 . 1 1 105 105 ILE H H 1 7.682 0.001 . 1 . 1711 . . 105 ILE H . 25197 1 412 . 1 1 105 105 ILE C C 13 176.636 0.005 . 1 . 901 . . 105 ILE C . 25197 1 413 . 1 1 105 105 ILE CA C 13 64.473 0.006 . 1 . 894 . . 105 ILE CA . 25197 1 414 . 1 1 105 105 ILE N N 15 121.491 0.044 . 1 . 1710 . . 105 ILE N . 25197 1 415 . 1 1 106 106 ASP H H 1 8.323 0.001 . 1 . 1577 . . 106 ASP H . 25197 1 416 . 1 1 106 106 ASP C C 13 177.199 0.002 . 1 . 902 . . 106 ASP C . 25197 1 417 . 1 1 106 106 ASP CA C 13 56.792 0.012 . 1 . 895 . . 106 ASP CA . 25197 1 418 . 1 1 106 106 ASP N N 15 119.500 0.032 . 1 . 1576 . . 106 ASP N . 25197 1 419 . 1 1 107 107 THR H H 1 7.593 0.001 . 1 . 1583 . . 107 THR H . 25197 1 420 . 1 1 107 107 THR C C 13 176.093 0.004 . 1 . 903 . . 107 THR C . 25197 1 421 . 1 1 107 107 THR CA C 13 63.187 0.012 . 1 . 896 . . 107 THR CA . 25197 1 422 . 1 1 107 107 THR N N 15 110.548 0.024 . 1 . 1582 . . 107 THR N . 25197 1 423 . 1 1 108 108 LEU H H 1 8.730 0.002 . 1 . 1691 . . 108 LEU H . 25197 1 424 . 1 1 108 108 LEU C C 13 177.858 0.017 . 1 . 908 . . 108 LEU C . 25197 1 425 . 1 1 108 108 LEU CA C 13 54.657 0.007 . 1 . 904 . . 108 LEU CA . 25197 1 426 . 1 1 108 108 LEU N N 15 122.383 0.061 . 1 . 1690 . . 108 LEU N . 25197 1 427 . 1 1 109 109 GLY H H 1 7.946 0.002 . 1 . 1721 . . 109 GLY H . 25197 1 428 . 1 1 109 109 GLY C C 13 174.758 0.048 . 1 . 909 . . 109 GLY C . 25197 1 429 . 1 1 109 109 GLY CA C 13 49.043 0.008 . 1 . 905 . . 109 GLY CA . 25197 1 430 . 1 1 109 109 GLY N N 15 107.565 0.025 . 1 . 1720 . . 109 GLY N . 25197 1 431 . 1 1 110 110 SER H H 1 8.809 0.001 . 1 . 1781 . . 110 SER H . 25197 1 432 . 1 1 110 110 SER C C 13 176.765 0.017 . 1 . 910 . . 110 SER C . 25197 1 433 . 1 1 110 110 SER CA C 13 62.219 0.001 . 1 . 906 . . 110 SER CA . 25197 1 434 . 1 1 110 110 SER N N 15 115.833 0.031 . 1 . 1780 . . 110 SER N . 25197 1 435 . 1 1 111 111 ARG H H 1 7.764 0.001 . 1 . 1801 . . 111 ARG H . 25197 1 436 . 1 1 111 111 ARG C C 13 179.409 0.008 . 1 . 911 . . 111 ARG C . 25197 1 437 . 1 1 111 111 ARG CA C 13 59.078 0.076 . 1 . 907 . . 111 ARG CA . 25197 1 438 . 1 1 111 111 ARG N N 15 123.838 0.028 . 1 . 1800 . . 111 ARG N . 25197 1 439 . 1 1 112 112 VAL H H 1 8.359 0.002 . 1 . 1513 . . 112 VAL H . 25197 1 440 . 1 1 112 112 VAL C C 13 177.073 0.025 . 1 . 913 . . 112 VAL C . 25197 1 441 . 1 1 112 112 VAL CA C 13 66.687 0.004 . 1 . 912 . . 112 VAL CA . 25197 1 442 . 1 1 112 112 VAL N N 15 120.241 0.037 . 1 . 1512 . . 112 VAL N . 25197 1 443 . 1 1 113 113 LEU H H 1 8.527 0.001 . 1 . 1535 . . 113 LEU H . 25197 1 444 . 1 1 113 113 LEU CA C 13 58.843 . . 1 . 914 . . 113 LEU CA . 25197 1 445 . 1 1 113 113 LEU N N 15 119.365 0.036 . 1 . 1534 . . 113 LEU N . 25197 1 446 . 1 1 114 114 SER C C 13 176.471 . . 1 . 1010 . . 114 SER C . 25197 1 447 . 1 1 115 115 ALA H H 1 7.891 0.001 . 1 . 1639 . . 115 ALA H . 25197 1 448 . 1 1 115 115 ALA C C 13 180.984 0.006 . 1 . 915 . . 115 ALA C . 25197 1 449 . 1 1 115 115 ALA CA C 13 54.863 0.011 . 1 . 917 . . 115 ALA CA . 25197 1 450 . 1 1 115 115 ALA N N 15 122.717 0.028 . 1 . 1638 . . 115 ALA N . 25197 1 451 . 1 1 116 116 LEU H H 1 8.839 0.002 . 1 . 1507 . . 116 LEU H . 25197 1 452 . 1 1 116 116 LEU C C 13 178.439 0.06 . 1 . 916 . . 116 LEU C . 25197 1 453 . 1 1 116 116 LEU CA C 13 59.089 . . 1 . 918 . . 116 LEU CA . 25197 1 454 . 1 1 116 116 LEU N N 15 121.401 0.033 . 1 . 1506 . . 116 LEU N . 25197 1 455 . 1 1 117 117 LEU H H 1 8.582 0.009 . 1 . 1631 . . 117 LEU H . 25197 1 456 . 1 1 117 117 LEU C C 13 179.277 0.005 . 1 . 1014 . . 117 LEU C . 25197 1 457 . 1 1 117 117 LEU CA C 13 58.937 0.092 . 1 . 1015 . . 117 LEU CA . 25197 1 458 . 1 1 117 117 LEU N N 15 120.772 0.033 . 1 . 1630 . . 117 LEU N . 25197 1 459 . 1 1 118 118 ASN H H 1 8.181 0.001 . 1 . 1619 . . 118 ASN H . 25197 1 460 . 1 1 118 118 ASN C C 13 177.970 0.008 . 1 . 1013 . . 118 ASN C . 25197 1 461 . 1 1 118 118 ASN CA C 13 56.920 0.014 . 1 . 1016 . . 118 ASN CA . 25197 1 462 . 1 1 118 118 ASN N N 15 117.319 0.027 . 1 . 1329 . . 118 ASN N . 25197 1 463 . 1 1 119 119 GLY H H 1 8.211 0.003 . 1 . 1827 . . 119 GLY H . 25197 1 464 . 1 1 119 119 GLY C C 13 175.753 0.001 . 1 . 926 . . 119 GLY C . 25197 1 465 . 1 1 119 119 GLY CA C 13 47.219 0.005 . 1 . 919 . . 119 GLY CA . 25197 1 466 . 1 1 119 119 GLY N N 15 109.297 0.065 . 1 . 1826 . . 119 GLY N . 25197 1 467 . 1 1 120 120 VAL H H 1 8.947 0.002 . 1 . 1723 . . 120 VAL H . 25197 1 468 . 1 1 120 120 VAL C C 13 176.720 . . 1 . 1017 . . 120 VAL C . 25197 1 469 . 1 1 120 120 VAL CA C 13 67.089 0.006 . 1 . 920 . . 120 VAL CA . 25197 1 470 . 1 1 120 120 VAL N N 15 123.220 0.03 . 1 . 1722 . . 120 VAL N . 25197 1 471 . 1 1 121 121 SER H H 1 8.104 0.002 . 1 . 1533 . . 121 SER H . 25197 1 472 . 1 1 121 121 SER C C 13 176.286 . . 1 . 1018 . . 121 SER C . 25197 1 473 . 1 1 121 121 SER CA C 13 61.993 . . 1 . 921 . . 121 SER CA . 25197 1 474 . 1 1 121 121 SER N N 15 113.741 0.027 . 1 . 1532 . . 121 SER N . 25197 1 475 . 1 1 122 122 SER H H 1 7.954 0.002 . 1 . 1555 . . 122 SER H . 25197 1 476 . 1 1 122 122 SER C C 13 177.662 . . 1 . 1019 . . 122 SER C . 25197 1 477 . 1 1 122 122 SER CA C 13 61.778 0.023 . 1 . 922 . . 122 SER CA . 25197 1 478 . 1 1 122 122 SER N N 15 117.801 0.032 . 1 . 1554 . . 122 SER N . 25197 1 479 . 1 1 123 123 ALA H H 1 8.204 0.001 . 1 . 1855 . . 123 ALA H . 25197 1 480 . 1 1 123 123 ALA C C 13 179.845 0.009 . 1 . 927 . . 123 ALA C . 25197 1 481 . 1 1 123 123 ALA CA C 13 54.517 0.02 . 1 . 923 . . 123 ALA CA . 25197 1 482 . 1 1 123 123 ALA N N 15 124.562 0.042 . 1 . 1854 . . 123 ALA N . 25197 1 483 . 1 1 124 124 ALA H H 1 8.480 0.003 . 1 . 1589 . . 124 ALA H . 25197 1 484 . 1 1 124 124 ALA C C 13 179.594 0.001 . 1 . 928 . . 124 ALA C . 25197 1 485 . 1 1 124 124 ALA CA C 13 55.392 0.011 . 1 . 924 . . 124 ALA CA . 25197 1 486 . 1 1 124 124 ALA N N 15 119.496 0.044 . 1 . 1588 . . 124 ALA N . 25197 1 487 . 1 1 125 125 GLN H H 1 8.166 0.001 . 1 . 1821 . . 125 GLN H . 25197 1 488 . 1 1 125 125 GLN C C 13 180.653 0.005 . 1 . 929 . . 125 GLN C . 25197 1 489 . 1 1 125 125 GLN CA C 13 59.316 0.006 . 1 . 925 . . 125 GLN CA . 25197 1 490 . 1 1 125 125 GLN N N 15 118.444 0.028 . 1 . 1820 . . 125 GLN N . 25197 1 491 . 1 1 126 126 GLY H H 1 7.891 0.001 . 1 . 1681 . . 126 GLY H . 25197 1 492 . 1 1 126 126 GLY C C 13 174.818 0.005 . 1 . 930 . . 126 GLY C . 25197 1 493 . 1 1 126 126 GLY CA C 13 46.565 0.006 . 1 . 934 . . 126 GLY CA . 25197 1 494 . 1 1 126 126 GLY N N 15 106.779 0.026 . 1 . 1680 . . 126 GLY N . 25197 1 495 . 1 1 127 127 LEU H H 1 7.492 0.001 . 1 . 1793 . . 127 LEU H . 25197 1 496 . 1 1 127 127 LEU C C 13 176.919 0.016 . 1 . 931 . . 127 LEU C . 25197 1 497 . 1 1 127 127 LEU CA C 13 54.427 0.011 . 1 . 935 . . 127 LEU CA . 25197 1 498 . 1 1 127 127 LEU N N 15 120.118 0.051 . 1 . 1792 . . 127 LEU N . 25197 1 499 . 1 1 128 128 GLY H H 1 7.770 0.001 . 1 . 1837 . . 128 GLY H . 25197 1 500 . 1 1 128 128 GLY C C 13 174.114 0.006 . 1 . 884 . . 128 GLY C . 25197 1 501 . 1 1 128 128 GLY CA C 13 45.904 0.015 . 1 . 936 . . 128 GLY CA . 25197 1 502 . 1 1 128 128 GLY N N 15 107.546 0.02 . 1 . 1836 . . 128 GLY N . 25197 1 503 . 1 1 129 129 ILE H H 1 7.951 0.002 . 1 . 1643 . . 129 ILE H . 25197 1 504 . 1 1 129 129 ILE C C 13 174.619 0.021 . 1 . 932 . . 129 ILE C . 25197 1 505 . 1 1 129 129 ILE CA C 13 60.773 0.078 . 1 . 937 . . 129 ILE CA . 25197 1 506 . 1 1 129 129 ILE N N 15 122.438 0.038 . 1 . 1642 . . 129 ILE N . 25197 1 507 . 1 1 130 130 ASN H H 1 8.401 0.01 . 1 . 1673 . . 130 ASN H . 25197 1 508 . 1 1 130 130 ASN C C 13 174.509 0.001 . 1 . 933 . . 130 ASN C . 25197 1 509 . 1 1 130 130 ASN CA C 13 53.788 0.007 . 1 . 938 . . 130 ASN CA . 25197 1 510 . 1 1 130 130 ASN N N 15 124.860 0.058 . 1 . 1672 . . 130 ASN N . 25197 1 511 . 1 1 131 131 VAL H H 1 7.955 0.003 . 1 . 1807 . . 131 VAL H . 25197 1 512 . 1 1 131 131 VAL C C 13 174.782 0.011 . 1 . 945 . . 131 VAL C . 25197 1 513 . 1 1 131 131 VAL CA C 13 61.058 0.041 . 1 . 939 . . 131 VAL CA . 25197 1 514 . 1 1 131 131 VAL N N 15 122.933 . . 1 . 1156 . . 131 VAL N . 25197 1 515 . 1 1 132 132 ASP H H 1 8.587 0.001 . 1 . 1769 . . 132 ASP H . 25197 1 516 . 1 1 132 132 ASP C C 13 177.201 0.009 . 1 . 946 . . 132 ASP C . 25197 1 517 . 1 1 132 132 ASP CA C 13 54.173 0.004 . 1 . 940 . . 132 ASP CA . 25197 1 518 . 1 1 132 132 ASP N N 15 126.208 0.018 . 1 . 1768 . . 132 ASP N . 25197 1 519 . 1 1 133 133 SER H H 1 8.863 0.001 . 1 . 1683 . . 133 SER H . 25197 1 520 . 1 1 133 133 SER C C 13 176.787 . . 1 . 947 . . 133 SER C . 25197 1 521 . 1 1 133 133 SER CA C 13 61.285 0.009 . 1 . 941 . . 133 SER CA . 25197 1 522 . 1 1 133 133 SER N N 15 121.898 0.036 . 1 . 1682 . . 133 SER N . 25197 1 523 . 1 1 134 134 GLY H H 1 8.698 0.001 . 1 . 1695 . . 134 GLY H . 25197 1 524 . 1 1 134 134 GLY C C 13 176.435 0.006 . 1 . 948 . . 134 GLY C . 25197 1 525 . 1 1 134 134 GLY CA C 13 46.598 . . 1 . 942 . . 134 GLY CA . 25197 1 526 . 1 1 134 134 GLY N N 15 111.254 0.017 . 1 . 1694 . . 134 GLY N . 25197 1 527 . 1 1 135 135 SER H H 1 7.888 0.001 . 1 . 1559 . . 135 SER H . 25197 1 528 . 1 1 135 135 SER C C 13 175.281 . . 1 . 949 . . 135 SER C . 25197 1 529 . 1 1 135 135 SER CA C 13 61.108 0.004 . 1 . 943 . . 135 SER CA . 25197 1 530 . 1 1 135 135 SER N N 15 118.441 0.028 . 1 . 1558 . . 135 SER N . 25197 1 531 . 1 1 136 136 VAL H H 1 7.623 0.001 . 1 . 1829 . . 136 VAL H . 25197 1 532 . 1 1 136 136 VAL C C 13 177.863 0.002 . 1 . 950 . . 136 VAL C . 25197 1 533 . 1 1 136 136 VAL CA C 13 66.565 0.006 . 1 . 944 . . 136 VAL CA . 25197 1 534 . 1 1 136 136 VAL N N 15 122.204 0.039 . 1 . 1828 . . 136 VAL N . 25197 1 535 . 1 1 137 137 GLN H H 1 7.987 0.003 . 1 . 1613 . . 137 GLN H . 25197 1 536 . 1 1 137 137 GLN C C 13 179.065 0.005 . 1 . 951 . . 137 GLN C . 25197 1 537 . 1 1 137 137 GLN CA C 13 58.965 0.0 . 1 . 952 . . 137 GLN CA . 25197 1 538 . 1 1 137 137 GLN N N 15 117.676 0.072 . 1 . 1612 . . 137 GLN N . 25197 1 539 . 1 1 138 138 SER H H 1 8.053 0.001 . 1 . 1785 . . 138 SER H . 25197 1 540 . 1 1 138 138 SER C C 13 176.871 . . 1 . 959 . . 138 SER C . 25197 1 541 . 1 1 138 138 SER CA C 13 61.280 0.001 . 1 . 953 . . 138 SER CA . 25197 1 542 . 1 1 138 138 SER N N 15 115.807 0.074 . 1 . 1784 . . 138 SER N . 25197 1 543 . 1 1 139 139 ASP H H 1 8.488 0.002 . 1 . 1811 . . 139 ASP H . 25197 1 544 . 1 1 139 139 ASP C C 13 179.076 0.001 . 1 . 960 . . 139 ASP C . 25197 1 545 . 1 1 139 139 ASP CA C 13 56.662 0.002 . 1 . 954 . . 139 ASP CA . 25197 1 546 . 1 1 139 139 ASP N N 15 123.443 0.081 . 1 . 1810 . . 139 ASP N . 25197 1 547 . 1 1 140 140 ILE H H 1 8.529 0.002 . 1 . 1651 . . 140 ILE H . 25197 1 548 . 1 1 140 140 ILE C C 13 178.405 0.047 . 1 . 961 . . 140 ILE C . 25197 1 549 . 1 1 140 140 ILE CA C 13 65.670 0.028 . 1 . 955 . . 140 ILE CA . 25197 1 550 . 1 1 140 140 ILE N N 15 122.917 0.026 . 1 . 1650 . . 140 ILE N . 25197 1 551 . 1 1 141 141 SER H H 1 8.046 0.002 . 1 . 1753 . . 141 SER H . 25197 1 552 . 1 1 141 141 SER C C 13 177.023 . . 1 . 962 . . 141 SER C . 25197 1 553 . 1 1 141 141 SER CA C 13 61.452 0.002 . 1 . 956 . . 141 SER CA . 25197 1 554 . 1 1 141 141 SER N N 15 116.501 0.002 . 1 . 1752 . . 141 SER N . 25197 1 555 . 1 1 142 142 SER H H 1 8.618 0.001 . 1 . 1679 . . 142 SER H . 25197 1 556 . 1 1 142 142 SER C C 13 176.946 . . 1 . 1021 . . 142 SER C . 25197 1 557 . 1 1 142 142 SER CA C 13 61.043 0.029 . 1 . 957 . . 142 SER CA . 25197 1 558 . 1 1 142 142 SER N N 15 117.405 0.021 . 1 . 1678 . . 142 SER N . 25197 1 559 . 1 1 143 143 SER H H 1 8.472 0.002 . 1 . 1693 . . 143 SER H . 25197 1 560 . 1 1 143 143 SER C C 13 177.286 . . 1 . 1023 . . 143 SER C . 25197 1 561 . 1 1 143 143 SER CA C 13 61.900 0.055 . 1 . 958 . . 143 SER CA . 25197 1 562 . 1 1 143 143 SER N N 15 119.318 0.041 . 1 . 1692 . . 143 SER N . 25197 1 563 . 1 1 144 144 SER H H 1 8.399 0.002 . 1 . 1649 . . 144 SER H . 25197 1 564 . 1 1 144 144 SER C C 13 176.628 . . 1 . 1024 . . 144 SER C . 25197 1 565 . 1 1 144 144 SER CA C 13 61.749 . . 1 . 1022 . . 144 SER CA . 25197 1 566 . 1 1 144 144 SER N N 15 115.277 0.013 . 1 . 1648 . . 144 SER N . 25197 1 567 . 1 1 145 145 SER H H 1 7.980 0.001 . 1 . 1731 . . 145 SER H . 25197 1 568 . 1 1 145 145 SER C C 13 176.215 . . 1 . 968 . . 145 SER C . 25197 1 569 . 1 1 145 145 SER CA C 13 60.770 0.015 . 1 . 963 . . 145 SER CA . 25197 1 570 . 1 1 145 145 SER N N 15 117.633 0.027 . 1 . 1730 . . 145 SER N . 25197 1 571 . 1 1 146 146 PHE H H 1 8.143 0.003 . 1 . 1569 . . 146 PHE H . 25197 1 572 . 1 1 146 146 PHE C C 13 177.440 0.01 . 1 . 969 . . 146 PHE C . 25197 1 573 . 1 1 146 146 PHE CA C 13 60.296 0.039 . 1 . 964 . . 146 PHE CA . 25197 1 574 . 1 1 146 146 PHE N N 15 121.791 0.028 . 1 . 1568 . . 146 PHE N . 25197 1 575 . 1 1 147 147 LEU H H 1 8.019 0.001 . 1 . 1503 . . 147 LEU H . 25197 1 576 . 1 1 147 147 LEU C C 13 177.673 0.041 . 1 . 970 . . 147 LEU C . 25197 1 577 . 1 1 147 147 LEU CA C 13 56.610 0.016 . 1 . 965 . . 147 LEU CA . 25197 1 578 . 1 1 147 147 LEU N N 15 119.277 0.017 . 1 . 1502 . . 147 LEU N . 25197 1 579 . 1 1 148 148 SER H H 1 7.879 0.001 . 1 . 1521 . . 148 SER H . 25197 1 580 . 1 1 148 148 SER C C 13 175.593 0.002 . 1 . 971 . . 148 SER C . 25197 1 581 . 1 1 148 148 SER CA C 13 59.587 0.003 . 1 . 966 . . 148 SER CA . 25197 1 582 . 1 1 148 148 SER N N 15 113.810 0.024 . 1 . 1520 . . 148 SER N . 25197 1 583 . 1 1 149 149 THR H H 1 8.123 0.0 . 1 . 1551 . . 149 THR H . 25197 1 584 . 1 1 149 149 THR C C 13 175.093 0.017 . 1 . 972 . . 149 THR C . 25197 1 585 . 1 1 149 149 THR CA C 13 62.844 0.016 . 1 . 967 . . 149 THR CA . 25197 1 586 . 1 1 149 149 THR N N 15 115.038 0.018 . 1 . 1550 . . 149 THR N . 25197 1 587 . 1 1 150 150 SER H H 1 8.105 0.001 . 1 . 1857 . . 150 SER H . 25197 1 588 . 1 1 150 150 SER CA C 13 58.830 . . 1 . 1025 . . 150 SER CA . 25197 1 589 . 1 1 150 150 SER N N 15 117.146 0.043 . 1 . 1856 . . 150 SER N . 25197 1 590 . 1 1 152 152 SER C C 13 174.788 . . 1 . 973 . . 152 SER C . 25197 1 591 . 1 1 152 152 SER CA C 13 58.650 . . 1 . 1001 . . 152 SER CA . 25197 1 592 . 1 1 153 153 SER H H 1 8.220 0.003 . 1 . 1575 . . 153 SER H . 25197 1 593 . 1 1 153 153 SER C C 13 174.485 0.005 . 1 . 974 . . 153 SER C . 25197 1 594 . 1 1 153 153 SER CA C 13 58.642 0.008 . 1 . 1000 . . 153 SER CA . 25197 1 595 . 1 1 153 153 SER N N 15 117.539 0.026 . 1 . 1574 . . 153 SER N . 25197 1 596 . 1 1 154 154 ALA H H 1 8.190 0.006 . 1 . 1663 . . 154 ALA H . 25197 1 597 . 1 1 154 154 ALA C C 13 177.781 0.004 . 1 . 975 . . 154 ALA C . 25197 1 598 . 1 1 154 154 ALA CA C 13 52.843 0.009 . 1 . 982 . . 154 ALA CA . 25197 1 599 . 1 1 154 154 ALA N N 15 125.782 0.099 . 1 . 1662 . . 154 ALA N . 25197 1 600 . 1 1 155 155 SER H H 1 8.088 0.002 . 1 . 1847 . . 155 SER H . 25197 1 601 . 1 1 155 155 SER C C 13 174.340 0.005 . 1 . 976 . . 155 SER C . 25197 1 602 . 1 1 155 155 SER CA C 13 58.536 0.009 . 1 . 983 . . 155 SER CA . 25197 1 603 . 1 1 155 155 SER N N 15 114.336 0.077 . 1 . 1846 . . 155 SER N . 25197 1 604 . 1 1 156 156 TYR H H 1 8.008 0.001 . 1 . 1491 . . 156 TYR H . 25197 1 605 . 1 1 156 156 TYR C C 13 175.858 0.027 . 1 . 977 . . 156 TYR C . 25197 1 606 . 1 1 156 156 TYR CA C 13 58.082 0.003 . 1 . 984 . . 156 TYR CA . 25197 1 607 . 1 1 156 156 TYR N N 15 121.818 0.03 . 1 . 1490 . . 156 TYR N . 25197 1 608 . 1 1 157 157 SER H H 1 8.077 0.006 . 1 . 1587 . . 157 SER H . 25197 1 609 . 1 1 157 157 SER C C 13 174.354 0.028 . 1 . 978 . . 157 SER C . 25197 1 610 . 1 1 157 157 SER CA C 13 58.269 0.02 . 1 . 985 . . 157 SER CA . 25197 1 611 . 1 1 157 157 SER N N 15 117.153 0.033 . 1 . 1586 . . 157 SER N . 25197 1 612 . 1 1 158 158 GLN H H 1 8.266 0.001 . 1 . 1545 . . 158 GLN H . 25197 1 613 . 1 1 158 158 GLN C C 13 175.866 0.01 . 1 . 979 . . 158 GLN C . 25197 1 614 . 1 1 158 158 GLN CA C 13 56.084 0.012 . 1 . 986 . . 158 GLN CA . 25197 1 615 . 1 1 158 158 GLN N N 15 122.362 0.037 . 1 . 1544 . . 158 GLN N . 25197 1 616 . 1 1 159 159 ALA H H 1 8.244 0.001 . 1 . 1759 . . 159 ALA H . 25197 1 617 . 1 1 159 159 ALA C C 13 177.892 0.004 . 1 . 980 . . 159 ALA C . 25197 1 618 . 1 1 159 159 ALA CA C 13 52.867 0.006 . 1 . 987 . . 159 ALA CA . 25197 1 619 . 1 1 159 159 ALA N N 15 124.864 0.035 . 1 . 1758 . . 159 ALA N . 25197 1 620 . 1 1 160 160 SER H H 1 8.178 0.001 . 1 . 1567 . . 160 SER H . 25197 1 621 . 1 1 160 160 SER C C 13 174.524 0.005 . 1 . 981 . . 160 SER C . 25197 1 622 . 1 1 160 160 SER CA C 13 58.372 0.01 . 1 . 988 . . 160 SER CA . 25197 1 623 . 1 1 160 160 SER N N 15 114.742 0.026 . 1 . 1566 . . 160 SER N . 25197 1 624 . 1 1 161 161 ALA H H 1 8.263 0.001 . 1 . 1653 . . 161 ALA H . 25197 1 625 . 1 1 161 161 ALA C C 13 177.828 0.006 . 1 . 993 . . 161 ALA C . 25197 1 626 . 1 1 161 161 ALA CA C 13 52.807 0.005 . 1 . 989 . . 161 ALA CA . 25197 1 627 . 1 1 161 161 ALA N N 15 125.887 0.037 . 1 . 1652 . . 161 ALA N . 25197 1 628 . 1 1 162 162 SER H H 1 8.210 0.001 . 1 . 1703 . . 162 SER H . 25197 1 629 . 1 1 162 162 SER C C 13 174.820 0.015 . 1 . 994 . . 162 SER C . 25197 1 630 . 1 1 162 162 SER CA C 13 58.443 0.01 . 1 . 990 . . 162 SER CA . 25197 1 631 . 1 1 162 162 SER N N 15 114.417 0.021 . 1 . 1702 . . 162 SER N . 25197 1 632 . 1 1 163 163 SER H H 1 8.284 0.001 . 1 . 1729 . . 163 SER H . 25197 1 633 . 1 1 163 163 SER C C 13 174.938 0.058 . 1 . 995 . . 163 SER C . 25197 1 634 . 1 1 163 163 SER CA C 13 58.586 0.015 . 1 . 991 . . 163 SER CA . 25197 1 635 . 1 1 163 163 SER N N 15 117.571 0.028 . 1 . 1728 . . 163 SER N . 25197 1 636 . 1 1 164 164 THR H H 1 8.148 0.002 . 1 . 1747 . . 164 THR H . 25197 1 637 . 1 1 164 164 THR C C 13 174.734 0.007 . 1 . 996 . . 164 THR C . 25197 1 638 . 1 1 164 164 THR CA C 13 61.891 0.008 . 1 . 992 . . 164 THR CA . 25197 1 639 . 1 1 164 164 THR N N 15 114.980 0.025 . 1 . 1746 . . 164 THR N . 25197 1 640 . 1 1 165 165 SER H H 1 8.197 0.001 . 1 . 1797 . . 165 SER H . 25197 1 641 . 1 1 165 165 SER C C 13 174.929 0.038 . 1 . 997 . . 165 SER C . 25197 1 642 . 1 1 165 165 SER CA C 13 58.627 0.012 . 1 . 1002 . . 165 SER CA . 25197 1 643 . 1 1 165 165 SER N N 15 117.592 0.025 . 1 . 1796 . . 165 SER N . 25197 1 644 . 1 1 166 166 GLY H H 1 8.349 0.001 . 1 . 1505 . . 166 GLY H . 25197 1 645 . 1 1 166 166 GLY C C 13 173.908 0.01 . 1 . 998 . . 166 GLY C . 25197 1 646 . 1 1 166 166 GLY CA C 13 45.338 0.01 . 1 . 1003 . . 166 GLY CA . 25197 1 647 . 1 1 166 166 GLY N N 15 110.831 0.038 . 1 . 1504 . . 166 GLY N . 25197 1 648 . 1 1 167 167 ALA H H 1 8.140 0.004 . 1 . 1667 . . 167 ALA H . 25197 1 649 . 1 1 167 167 ALA C C 13 178.140 0.004 . 1 . 999 . . 167 ALA C . 25197 1 650 . 1 1 167 167 ALA CA C 13 52.714 0.035 . 1 . 1028 . . 167 ALA CA . 25197 1 651 . 1 1 167 167 ALA N N 15 123.740 0.025 . 1 . 1666 . . 167 ALA N . 25197 1 652 . 1 1 168 168 GLY H H 1 8.323 0.001 . 1 . 1627 . . 168 GLY H . 25197 1 653 . 1 1 168 168 GLY C C 13 173.688 0.005 . 1 . 1026 . . 168 GLY C . 25197 1 654 . 1 1 168 168 GLY CA C 13 45.165 0.02 . 1 . 1027 . . 168 GLY CA . 25197 1 655 . 1 1 168 168 GLY N N 15 107.851 0.021 . 1 . 1626 . . 168 GLY N . 25197 1 656 . 1 1 169 169 TYR H H 1 8.034 0.001 . 1 . 1803 . . 169 TYR H . 25197 1 657 . 1 1 169 169 TYR C C 13 176.057 0.007 . 1 . 1030 . . 169 TYR C . 25197 1 658 . 1 1 169 169 TYR CA C 13 58.177 . . 1 . 1029 . . 169 TYR CA . 25197 1 659 . 1 1 169 169 TYR N N 15 120.700 0.116 . 1 . 1802 . . 169 TYR N . 25197 1 660 . 1 1 170 170 THR H H 1 8.088 0.003 . 1 . 1819 . . 170 THR H . 25197 1 661 . 1 1 170 170 THR C C 13 174.141 0.008 . 1 . 1033 . . 170 THR C . 25197 1 662 . 1 1 170 170 THR CA C 13 61.349 0.002 . 1 . 1031 . . 170 THR CA . 25197 1 663 . 1 1 170 170 THR N N 15 117.210 0.019 . 1 . 1818 . . 170 THR N . 25197 1 664 . 1 1 171 171 GLY H H 1 7.279 0.001 . 1 . 1511 . . 171 GLY H . 25197 1 665 . 1 1 171 171 GLY C C 13 171.481 . . 1 . 1034 . . 171 GLY C . 25197 1 666 . 1 1 171 171 GLY CA C 13 44.631 . . 1 . 1032 . . 171 GLY CA . 25197 1 667 . 1 1 171 171 GLY N N 15 110.394 0.022 . 1 . 1510 . . 171 GLY N . 25197 1 668 . 1 1 172 172 PRO C C 13 177.305 . . 1 . 2244 . . 172 PRO C . 25197 1 669 . 1 1 172 172 PRO CA C 13 63.435 . . 1 . 1037 . . 172 PRO CA . 25197 1 670 . 1 1 173 173 SER H H 1 8.417 0.001 . 1 . 1715 . . 173 SER H . 25197 1 671 . 1 1 173 173 SER C C 13 174.496 0.013 . 1 . 1036 . . 173 SER C . 25197 1 672 . 1 1 173 173 SER CA C 13 58.331 0.051 . 1 . 1035 . . 173 SER CA . 25197 1 673 . 1 1 173 173 SER N N 15 115.961 0.021 . 1 . 1714 . . 173 SER N . 25197 1 674 . 1 1 174 174 GLY H H 1 8.132 0.001 . 1 . 1789 . . 174 GLY H . 25197 1 675 . 1 1 174 174 GLY C C 13 171.689 . . 1 . 1076 . . 174 GLY C . 25197 1 676 . 1 1 174 174 GLY CA C 13 44.656 . . 1 . 1038 . . 174 GLY CA . 25197 1 677 . 1 1 174 174 GLY N N 15 110.454 0.028 . 1 . 1788 . . 174 GLY N . 25197 1 678 . 1 1 175 175 PRO C C 13 177.246 . . 1 . 1051 . . 175 PRO C . 25197 1 679 . 1 1 175 175 PRO CA C 13 63.308 . . 1 . 1049 . . 175 PRO CA . 25197 1 680 . 1 1 176 176 SER H H 1 8.460 0.001 . 1 . 1597 . . 176 SER H . 25197 1 681 . 1 1 176 176 SER C C 13 174.847 0.002 . 1 . 1050 . . 176 SER C . 25197 1 682 . 1 1 176 176 SER CA C 13 58.409 0.012 . 1 . 1048 . . 176 SER CA . 25197 1 683 . 1 1 176 176 SER N N 15 116.052 0.026 . 1 . 1596 . . 176 SER N . 25197 1 684 . 1 1 177 177 THR H H 1 8.085 0.002 . 1 . 1617 . . 177 THR H . 25197 1 685 . 1 1 177 177 THR C C 13 174.680 0.004 . 1 . 1052 . . 177 THR C . 25197 1 686 . 1 1 177 177 THR CA C 13 61.681 0.005 . 1 . 1009 . . 177 THR CA . 25197 1 687 . 1 1 177 177 THR N N 15 114.848 0.075 . 1 . 1616 . . 177 THR N . 25197 1 688 . 1 1 178 178 GLY H H 1 8.164 0.001 . 1 . 1677 . . 178 GLY H . 25197 1 689 . 1 1 178 178 GLY C C 13 171.908 . . 1 . 1045 . . 178 GLY C . 25197 1 690 . 1 1 178 178 GLY CA C 13 44.657 . . 1 . 1054 . . 178 GLY CA . 25197 1 691 . 1 1 178 178 GLY N N 15 110.812 0.019 . 1 . 1676 . . 178 GLY N . 25197 1 692 . 1 1 179 179 PRO C C 13 177.314 . . 1 . 1063 . . 179 PRO C . 25197 1 693 . 1 1 179 179 PRO CA C 13 63.502 . . 1 . 1055 . . 179 PRO CA . 25197 1 694 . 1 1 180 180 SER H H 1 8.398 0.002 . 1 . 1863 . . 180 SER H . 25197 1 695 . 1 1 180 180 SER C C 13 174.889 0.014 . 1 . 1056 . . 180 SER C . 25197 1 696 . 1 1 180 180 SER CA C 13 58.566 0.0 . 1 . 1053 . . 180 SER CA . 25197 1 697 . 1 1 180 180 SER N N 15 115.708 0.028 . 1 . 1862 . . 180 SER N . 25197 1 698 . 1 1 181 181 GLY H H 1 8.273 0.006 . 1 . 1699 . . 181 GLY H . 25197 1 699 . 1 1 181 181 GLY C C 13 172.637 . . 1 . 1058 . . 181 GLY C . 25197 1 700 . 1 1 181 181 GLY CA C 13 45.197 0.003 . 1 . 1060 . . 181 GLY CA . 25197 1 701 . 1 1 181 181 GLY N N 15 110.364 0.058 . 1 . 1698 . . 181 GLY N . 25197 1 702 . 1 1 182 182 TYR H H 1 7.981 0.001 . 1 . 1845 . . 182 TYR H . 25197 1 703 . 1 1 182 182 TYR C C 13 174.478 . . 1 . 1062 . . 182 TYR C . 25197 1 704 . 1 1 182 182 TYR CA C 13 55.836 . . 1 . 1061 . . 182 TYR CA . 25197 1 705 . 1 1 182 182 TYR N N 15 121.172 0.05 . 1 . 1844 . . 182 TYR N . 25197 1 706 . 1 1 183 183 PRO C C 13 176.792 . . 1 . 1064 . . 183 PRO C . 25197 1 707 . 1 1 183 183 PRO CA C 13 63.382 . . 1 . 2247 . . 183 PRO CA . 25197 1 708 . 1 1 184 184 GLY H H 1 7.516 0.001 . 1 . 1749 . . 184 GLY H . 25197 1 709 . 1 1 184 184 GLY C C 13 171.751 . . 1 . 1044 . . 184 GLY C . 25197 1 710 . 1 1 184 184 GLY CA C 13 44.568 . . 1 . 1065 . . 184 GLY CA . 25197 1 711 . 1 1 184 184 GLY N N 15 108.201 0.025 . 1 . 1748 . . 184 GLY N . 25197 1 712 . 1 1 185 185 PRO C C 13 177.432 . . 1 . 1070 . . 185 PRO C . 25197 1 713 . 1 1 185 185 PRO CA C 13 63.363 . . 1 . 1069 . . 185 PRO CA . 25197 1 714 . 1 1 186 186 LEU H H 1 8.373 0.011 . 1 . 1775 . . 186 LEU H . 25197 1 715 . 1 1 186 186 LEU C C 13 178.113 0.008 . 1 . 1067 . . 186 LEU C . 25197 1 716 . 1 1 186 186 LEU CA C 13 55.401 0.007 . 1 . 1068 . . 186 LEU CA . 25197 1 717 . 1 1 186 186 LEU N N 15 121.806 0.055 . 1 . 1774 . . 186 LEU N . 25197 1 718 . 1 1 187 187 GLY H H 1 8.308 0.001 . 1 . 1737 . . 187 GLY H . 25197 1 719 . 1 1 187 187 GLY C C 13 174.736 0.024 . 1 . 1071 . . 187 GLY C . 25197 1 720 . 1 1 187 187 GLY CA C 13 45.501 0.004 . 1 . 1072 . . 187 GLY CA . 25197 1 721 . 1 1 187 187 GLY N N 15 109.472 0.014 . 1 . 1736 . . 187 GLY N . 25197 1 722 . 1 1 188 188 GLY H H 1 8.274 0.001 . 1 . 1611 . . 188 GLY H . 25197 1 723 . 1 1 188 188 GLY C C 13 174.550 0.029 . 1 . 1073 . . 188 GLY C . 25197 1 724 . 1 1 188 188 GLY CA C 13 45.382 0.062 . 1 . 1090 . . 188 GLY CA . 25197 1 725 . 1 1 188 188 GLY N N 15 108.685 0.035 . 1 . 1610 . . 188 GLY N . 25197 1 726 . 1 1 189 189 GLY H H 1 8.206 0.007 . 1 . 1705 . . 189 GLY H . 25197 1 727 . 1 1 189 189 GLY C C 13 173.348 0.006 . 1 . 1007 . . 189 GLY C . 25197 1 728 . 1 1 189 189 GLY CA C 13 44.915 0.007 . 1 . 1097 . . 189 GLY CA . 25197 1 729 . 1 1 189 189 GLY N N 15 108.368 0.035 . 1 . 1704 . . 189 GLY N . 25197 1 730 . 1 1 190 190 ALA H H 1 8.075 0.001 . 1 . 1665 . . 190 ALA H . 25197 1 731 . 1 1 190 190 ALA C C 13 175.691 . . 1 . 1074 . . 190 ALA C . 25197 1 732 . 1 1 190 190 ALA CA C 13 50.552 . . 1 . 1075 . . 190 ALA CA . 25197 1 733 . 1 1 190 190 ALA N N 15 124.542 0.034 . 1 . 1664 . . 190 ALA N . 25197 1 734 . 1 1 191 191 PRO C C 13 176.596 . . 1 . 1465 . . 191 PRO C . 25197 1 735 . 1 1 191 191 PRO CA C 13 63.295 . . 1 . 1078 . . 191 PRO CA . 25197 1 736 . 1 1 192 192 PHE H H 1 8.154 0.001 . 1 . 1517 . . 192 PHE H . 25197 1 737 . 1 1 192 192 PHE C C 13 176.386 0.012 . 1 . 1079 . . 192 PHE C . 25197 1 738 . 1 1 192 192 PHE CA C 13 57.911 0.015 . 1 . 1077 . . 192 PHE CA . 25197 1 739 . 1 1 192 192 PHE N N 15 119.583 0.038 . 1 . 1516 . . 192 PHE N . 25197 1 740 . 1 1 193 193 GLY H H 1 8.186 0.001 . 1 . 1843 . . 193 GLY H . 25197 1 741 . 1 1 193 193 GLY C C 13 174.061 0.006 . 1 . 1081 . . 193 GLY C . 25197 1 742 . 1 1 193 193 GLY CA C 13 45.382 0.02 . 1 . 1080 . . 193 GLY CA . 25197 1 743 . 1 1 193 193 GLY N N 15 110.437 0.012 . 1 . 1842 . . 193 GLY N . 25197 1 744 . 1 1 194 194 GLN H H 1 8.111 0.001 . 1 . 1601 . . 194 GLN H . 25197 1 745 . 1 1 194 194 GLN C C 13 176.071 0.008 . 1 . 1082 . . 194 GLN C . 25197 1 746 . 1 1 194 194 GLN CA C 13 55.853 . . 1 . 1083 . . 194 GLN CA . 25197 1 747 . 1 1 194 194 GLN N N 15 119.676 0.062 . 1 . 1600 . . 194 GLN N . 25197 1 748 . 1 1 195 195 SER H H 1 8.351 0.01 . 1 . 1629 . . 195 SER H . 25197 1 749 . 1 1 195 195 SER C C 13 174.863 0.018 . 1 . 1084 . . 195 SER C . 25197 1 750 . 1 1 195 195 SER CA C 13 58.641 . . 1 . 1085 . . 195 SER CA . 25197 1 751 . 1 1 195 195 SER N N 15 116.631 0.021 . 1 . 1628 . . 195 SER N . 25197 1 752 . 1 1 196 196 GLY H H 1 8.288 0.001 . 1 . 1799 . . 196 GLY H . 25197 1 753 . 1 1 196 196 GLY C C 13 173.881 0.012 . 1 . 1057 . . 196 GLY C . 25197 1 754 . 1 1 196 196 GLY CA C 13 45.264 0.002 . 1 . 1059 . . 196 GLY CA . 25197 1 755 . 1 1 196 196 GLY N N 15 110.268 0.016 . 1 . 1798 . . 196 GLY N . 25197 1 756 . 1 1 197 197 PHE H H 1 8.136 0.003 . 1 . 1519 . . 197 PHE H . 25197 1 757 . 1 1 197 197 PHE C C 13 176.409 0.029 . 1 . 1086 . . 197 PHE C . 25197 1 758 . 1 1 197 197 PHE CA C 13 57.922 . . 1 . 1087 . . 197 PHE CA . 25197 1 759 . 1 1 197 197 PHE N N 15 119.912 0.02 . 1 . 1518 . . 197 PHE N . 25197 1 760 . 1 1 198 198 GLY H H 1 8.393 0.001 . 1 . 1739 . . 198 GLY H . 25197 1 761 . 1 1 198 198 GLY C C 13 174.588 0.005 . 1 . 1006 . . 198 GLY C . 25197 1 762 . 1 1 198 198 GLY CA C 13 45.430 0.022 . 1 . 1088 . . 198 GLY CA . 25197 1 763 . 1 1 198 198 GLY N N 15 110.647 0.021 . 1 . 1738 . . 198 GLY N . 25197 1 764 . 1 1 199 199 GLY H H 1 7.964 0.001 . 1 . 1817 . . 199 GLY H . 25197 1 765 . 1 1 199 199 GLY C C 13 174.286 . . 1 . 1066 . . 199 GLY C . 25197 1 766 . 1 1 199 199 GLY CA C 13 45.338 . . 1 . 1089 . . 199 GLY CA . 25197 1 767 . 1 1 199 199 GLY N N 15 108.417 0.013 . 1 . 1816 . . 199 GLY N . 25197 1 768 . 1 1 201 201 ALA C C 13 177.674 . . 1 . 2248 . . 201 ALA C . 25197 1 769 . 1 1 201 201 ALA CA C 13 52.428 . . 1 . 1442 . . 201 ALA CA . 25197 1 770 . 1 1 202 202 GLY H H 1 8.046 0.0 . 1 . 1980 . . 202 GLY H . 25197 1 771 . 1 1 202 202 GLY C C 13 171.941 . . 1 . 1474 . . 202 GLY C . 25197 1 772 . 1 1 202 202 GLY CA C 13 44.548 . . 1 . 1441 . . 202 GLY CA . 25197 1 773 . 1 1 202 202 GLY N N 15 107.620 0.035 . 1 . 1979 . . 202 GLY N . 25197 1 774 . 1 1 203 203 PRO C C 13 177.457 . . 1 . 1461 . . 203 PRO C . 25197 1 775 . 1 1 203 203 PRO CA C 13 63.459 . . 1 . 1443 . . 203 PRO CA . 25197 1 776 . 1 1 204 204 GLN H H 1 8.533 0.001 . 1 . 2225 . . 204 GLN H . 25197 1 777 . 1 1 204 204 GLN C C 13 176.564 0.004 . 1 . 1438 . . 204 GLN C . 25197 1 778 . 1 1 204 204 GLN CA C 13 56.043 0.006 . 1 . 1437 . . 204 GLN CA . 25197 1 779 . 1 1 204 204 GLN N N 15 120.260 0.049 . 1 . 2224 . . 204 GLN N . 25197 1 780 . 1 1 205 205 GLY H H 1 8.283 0.0 . 1 . 1926 . . 205 GLY H . 25197 1 781 . 1 1 205 205 GLY C C 13 174.398 0.002 . 1 . 1379 . . 205 GLY C . 25197 1 782 . 1 1 205 205 GLY CA C 13 45.382 0.011 . 1 . 1378 . . 205 GLY CA . 25197 1 783 . 1 1 205 205 GLY N N 15 109.484 0.047 . 1 . 1925 . . 205 GLY N . 25197 1 784 . 1 1 206 206 GLY H H 1 8.098 0.001 . 1 . 1936 . . 206 GLY H . 25197 1 785 . 1 1 206 206 GLY C C 13 173.999 0.007 . 1 . 1440 . . 206 GLY C . 25197 1 786 . 1 1 206 206 GLY CA C 13 45.139 0.029 . 1 . 1439 . . 206 GLY CA . 25197 1 787 . 1 1 206 206 GLY N N 15 108.146 0.041 . 1 . 1935 . . 206 GLY N . 25197 1 788 . 1 1 207 207 PHE H H 1 8.172 0.002 . 1 . 2239 . . 207 PHE H . 25197 1 789 . 1 1 207 207 PHE C C 13 176.442 . . 1 . 1434 . . 207 PHE C . 25197 1 790 . 1 1 207 207 PHE CA C 13 58.150 0.006 . 1 . 1433 . . 207 PHE CA . 25197 1 791 . 1 1 207 207 PHE N N 15 119.724 0.027 . 1 . 2238 . . 207 PHE N . 25197 1 792 . 1 1 208 208 GLY H H 1 8.368 0.001 . 1 . 2002 . . 208 GLY H . 25197 1 793 . 1 1 208 208 GLY C C 13 173.931 0.007 . 1 . 1432 . . 208 GLY C . 25197 1 794 . 1 1 208 208 GLY CA C 13 45.338 0.003 . 1 . 1380 . . 208 GLY CA . 25197 1 795 . 1 1 208 208 GLY N N 15 110.200 0.048 . 1 . 2001 . . 208 GLY N . 25197 1 796 . 1 1 209 209 ALA H H 1 8.113 0.0 . 1 . 2165 . . 209 ALA H . 25197 1 797 . 1 1 209 209 ALA C C 13 178.169 0.002 . 1 . 1286 . . 209 ALA C . 25197 1 798 . 1 1 209 209 ALA CA C 13 52.695 0.01 . 1 . 1429 . . 209 ALA CA . 25197 1 799 . 1 1 209 209 ALA N N 15 123.685 0.049 . 1 . 2164 . . 209 ALA N . 25197 1 800 . 1 1 210 210 THR H H 1 8.086 0.0 . 1 . 2028 . . 210 THR H . 25197 1 801 . 1 1 210 210 THR C C 13 175.261 . . 1 . 1430 . . 210 THR C . 25197 1 802 . 1 1 210 210 THR CA C 13 61.981 0.042 . 1 . 1431 . . 210 THR CA . 25197 1 803 . 1 1 210 210 THR N N 15 111.984 0.033 . 1 . 2027 . . 210 THR N . 25197 1 804 . 1 1 211 211 GLY H H 1 8.306 0.001 . 1 . 2167 . . 211 GLY H . 25197 1 805 . 1 1 211 211 GLY C C 13 174.712 0.03 . 1 . 1478 . . 211 GLY C . 25197 1 806 . 1 1 211 211 GLY CA C 13 45.370 0.023 . 1 . 1476 . . 211 GLY CA . 25197 1 807 . 1 1 211 211 GLY N N 15 110.721 0.079 . 1 . 2166 . . 211 GLY N . 25197 1 808 . 1 1 212 212 GLY H H 1 8.196 0.002 . 1 . 2004 . . 212 GLY H . 25197 1 809 . 1 1 212 212 GLY C C 13 174.525 . . 1 . 1479 . . 212 GLY C . 25197 1 810 . 1 1 212 212 GLY CA C 13 45.411 . . 1 . 1477 . . 212 GLY CA . 25197 1 811 . 1 1 212 212 GLY N N 15 108.200 0.003 . 1 . 2003 . . 212 GLY N . 25197 1 812 . 1 1 213 213 ALA H H 1 8.307 0.0 . 1 . 2060 . . 213 ALA H . 25197 1 813 . 1 1 213 213 ALA C C 13 178.265 0.0 . 1 . 1460 . . 213 ALA C . 25197 1 814 . 1 1 213 213 ALA CA C 13 53.084 0.029 . 1 . 1459 . . 213 ALA CA . 25197 1 815 . 1 1 213 213 ALA N N 15 123.919 0.061 . 1 . 2059 . . 213 ALA N . 25197 1 816 . 1 1 214 214 SER H H 1 8.148 0.006 . 1 . 2105 . . 214 SER H . 25197 1 817 . 1 1 214 214 SER C C 13 174.806 . . 1 . 1464 . . 214 SER C . 25197 1 818 . 1 1 214 214 SER CA C 13 58.819 0.019 . 1 . 1463 . . 214 SER CA . 25197 1 819 . 1 1 214 214 SER N N 15 113.985 0.05 . 1 . 2104 . . 214 SER N . 25197 1 820 . 1 1 215 215 ALA H H 1 8.134 0.0 . 1 . 2012 . . 215 ALA H . 25197 1 821 . 1 1 215 215 ALA C C 13 179.996 0.002 . 1 . 1402 . . 215 ALA C . 25197 1 822 . 1 1 215 215 ALA CA C 13 55.054 0.006 . 1 . 1401 . . 215 ALA CA . 25197 1 823 . 1 1 215 215 ALA N N 15 124.702 0.065 . 1 . 2011 . . 215 ALA N . 25197 1 824 . 1 1 216 216 GLY H H 1 8.371 0.002 . 1 . 2147 . . 216 GLY H . 25197 1 825 . 1 1 216 216 GLY C C 13 176.105 0.009 . 1 . 1399 . . 216 GLY C . 25197 1 826 . 1 1 216 216 GLY CA C 13 46.602 0.0 . 1 . 1400 . . 216 GLY CA . 25197 1 827 . 1 1 216 216 GLY N N 15 106.020 0.046 . 1 . 2146 . . 216 GLY N . 25197 1 828 . 1 1 217 217 LEU H H 1 7.480 0.0 . 1 . 1962 . . 217 LEU H . 25197 1 829 . 1 1 217 217 LEU C C 13 177.796 0.018 . 1 . 1396 . . 217 LEU C . 25197 1 830 . 1 1 217 217 LEU CA C 13 57.672 0.007 . 1 . 1398 . . 217 LEU CA . 25197 1 831 . 1 1 217 217 LEU N N 15 122.869 0.054 . 1 . 1961 . . 217 LEU N . 25197 1 832 . 1 1 218 218 ILE H H 1 7.492 0.001 . 1 . 1902 . . 218 ILE H . 25197 1 833 . 1 1 218 218 ILE C C 13 180.368 0.002 . 1 . 1397 . . 218 ILE C . 25197 1 834 . 1 1 218 218 ILE CA C 13 64.736 0.017 . 1 . 1403 . . 218 ILE CA . 25197 1 835 . 1 1 218 218 ILE N N 15 118.341 0.036 . 1 . 1901 . . 218 ILE N . 25197 1 836 . 1 1 219 219 SER H H 1 8.070 0.001 . 1 . 1928 . . 219 SER H . 25197 1 837 . 1 1 219 219 SER C C 13 175.673 . . 1 . 1428 . . 219 SER C . 25197 1 838 . 1 1 219 219 SER CA C 13 61.626 0.031 . 1 . 1427 . . 219 SER CA . 25197 1 839 . 1 1 219 219 SER N N 15 115.501 0.005 . 1 . 1927 . . 219 SER N . 25197 1 840 . 1 1 220 220 ARG H H 1 7.838 0.001 . 1 . 2139 . . 220 ARG H . 25197 1 841 . 1 1 220 220 ARG C C 13 178.819 0.003 . 1 . 1395 . . 220 ARG C . 25197 1 842 . 1 1 220 220 ARG CA C 13 59.985 0.002 . 1 . 1394 . . 220 ARG CA . 25197 1 843 . 1 1 220 220 ARG N N 15 123.047 0.041 . 1 . 2138 . . 220 ARG N . 25197 1 844 . 1 1 221 221 VAL H H 1 7.743 0.002 . 1 . 2073 . . 221 VAL H . 25197 1 845 . 1 1 221 221 VAL C C 13 177.178 0.011 . 1 . 1393 . . 221 VAL C . 25197 1 846 . 1 1 221 221 VAL CA C 13 66.806 0.006 . 1 . 1240 . . 221 VAL CA . 25197 1 847 . 1 1 221 221 VAL N N 15 118.326 0.057 . 1 . 2072 . . 221 VAL N . 25197 1 848 . 1 1 222 222 ALA H H 1 8.295 0.002 . 1 . 1990 . . 222 ALA H . 25197 1 849 . 1 1 222 222 ALA C C 13 179.167 0.011 . 1 . 1338 . . 222 ALA C . 25197 1 850 . 1 1 222 222 ALA CA C 13 55.792 0.001 . 1 . 1339 . . 222 ALA CA . 25197 1 851 . 1 1 222 222 ALA N N 15 121.157 0.031 . 1 . 1989 . . 222 ALA N . 25197 1 852 . 1 1 223 223 ASN H H 1 8.635 0.001 . 1 . 2123 . . 223 ASN H . 25197 1 853 . 1 1 223 223 ASN C C 13 177.160 0.003 . 1 . 1340 . . 223 ASN C . 25197 1 854 . 1 1 223 223 ASN CA C 13 55.956 0.012 . 1 . 1341 . . 223 ASN CA . 25197 1 855 . 1 1 223 223 ASN N N 15 116.163 0.039 . 1 . 2122 . . 223 ASN N . 25197 1 856 . 1 1 224 224 ALA H H 1 7.529 0.001 . 1 . 2193 . . 224 ALA H . 25197 1 857 . 1 1 224 224 ALA C C 13 179.720 0.011 . 1 . 1343 . . 224 ALA C . 25197 1 858 . 1 1 224 224 ALA CA C 13 54.722 0.004 . 1 . 1342 . . 224 ALA CA . 25197 1 859 . 1 1 224 224 ALA N N 15 121.123 0.036 . 1 . 2192 . . 224 ALA N . 25197 1 860 . 1 1 225 225 LEU H H 1 7.809 0.001 . 1 . 2163 . . 225 LEU H . 25197 1 861 . 1 1 225 225 LEU C C 13 178.899 0.022 . 1 . 1345 . . 225 LEU C . 25197 1 862 . 1 1 225 225 LEU CA C 13 56.910 0.01 . 1 . 1344 . . 225 LEU CA . 25197 1 863 . 1 1 225 225 LEU N N 15 115.031 0.089 . 1 . 2162 . . 225 LEU N . 25197 1 864 . 1 1 226 226 ALA H H 1 8.815 0.0 . 1 . 2195 . . 226 ALA H . 25197 1 865 . 1 1 226 226 ALA C C 13 176.841 0.001 . 1 . 1323 . . 226 ALA C . 25197 1 866 . 1 1 226 226 ALA CA C 13 54.663 0.013 . 1 . 1324 . . 226 ALA CA . 25197 1 867 . 1 1 226 226 ALA N N 15 121.197 0.045 . 1 . 2194 . . 226 ALA N . 25197 1 868 . 1 1 227 227 ASN H H 1 7.076 0.001 . 1 . 1922 . . 227 ASN H . 25197 1 869 . 1 1 227 227 ASN C C 13 175.501 0.004 . 1 . 1347 . . 227 ASN C . 25197 1 870 . 1 1 227 227 ASN CA C 13 52.643 0.003 . 1 . 1346 . . 227 ASN CA . 25197 1 871 . 1 1 227 227 ASN N N 15 112.994 0.034 . 1 . 1921 . . 227 ASN N . 25197 1 872 . 1 1 228 228 THR H H 1 7.394 0.001 . 1 . 2137 . . 228 THR H . 25197 1 873 . 1 1 228 228 THR C C 13 174.312 . . 1 . 1348 . . 228 THR C . 25197 1 874 . 1 1 228 228 THR CA C 13 60.793 0.007 . 1 . 1349 . . 228 THR CA . 25197 1 875 . 1 1 228 228 THR N N 15 109.611 0.04 . 1 . 2136 . . 228 THR N . 25197 1 876 . 1 1 229 229 SER H H 1 9.887 0.003 . 1 . 1871 . . 229 SER H . 25197 1 877 . 1 1 229 229 SER C C 13 178.637 . . 1 . 1872 . . 229 SER C . 25197 1 878 . 1 1 229 229 SER CA C 13 61.945 0.022 . 1 . 1350 . . 229 SER CA . 25197 1 879 . 1 1 229 229 SER N N 15 122.635 0.072 . 1 . 1870 . . 229 SER N . 25197 1 880 . 1 1 230 230 THR H H 1 10.241 0.004 . 1 . 2203 . . 230 THR H . 25197 1 881 . 1 1 230 230 THR C C 13 175.473 . . 1 . 1360 . . 230 THR C . 25197 1 882 . 1 1 230 230 THR CA C 13 68.313 0.049 . 1 . 1351 . . 230 THR CA . 25197 1 883 . 1 1 230 230 THR N N 15 120.760 0.055 . 1 . 2202 . . 230 THR N . 25197 1 884 . 1 1 231 231 LEU H H 1 7.393 0.002 . 1 . 1988 . . 231 LEU H . 25197 1 885 . 1 1 231 231 LEU C C 13 178.295 0.016 . 1 . 1356 . . 231 LEU C . 25197 1 886 . 1 1 231 231 LEU CA C 13 59.769 0.003 . 1 . 1352 . . 231 LEU CA . 25197 1 887 . 1 1 231 231 LEU N N 15 118.672 0.071 . 1 . 1987 . . 231 LEU N . 25197 1 888 . 1 1 232 232 ARG H H 1 7.609 0.001 . 1 . 2231 . . 232 ARG H . 25197 1 889 . 1 1 232 232 ARG C C 13 177.711 0.012 . 1 . 1354 . . 232 ARG C . 25197 1 890 . 1 1 232 232 ARG CA C 13 58.953 0.006 . 1 . 1353 . . 232 ARG CA . 25197 1 891 . 1 1 232 232 ARG N N 15 114.386 0.052 . 1 . 2230 . . 232 ARG N . 25197 1 892 . 1 1 233 233 THR H H 1 7.778 0.002 . 1 . 2175 . . 233 THR H . 25197 1 893 . 1 1 233 233 THR C C 13 174.681 0.003 . 1 . 1355 . . 233 THR C . 25197 1 894 . 1 1 233 233 THR CA C 13 65.369 0.001 . 1 . 1357 . . 233 THR CA . 25197 1 895 . 1 1 233 233 THR N N 15 111.272 0.021 . 1 . 2174 . . 233 THR N . 25197 1 896 . 1 1 234 234 VAL H H 1 7.384 0.003 . 1 . 1912 . . 234 VAL H . 25197 1 897 . 1 1 234 234 VAL C C 13 175.014 0.007 . 1 . 1362 . . 234 VAL C . 25197 1 898 . 1 1 234 234 VAL CA C 13 65.428 0.06 . 1 . 1475 . . 234 VAL CA . 25197 1 899 . 1 1 234 234 VAL N N 15 118.505 0.071 . 1 . 1911 . . 234 VAL N . 25197 1 900 . 1 1 235 235 LEU H H 1 8.100 0.004 . 1 . 2219 . . 235 LEU H . 25197 1 901 . 1 1 235 235 LEU C C 13 172.957 0.04 . 1 . 1361 . . 235 LEU C . 25197 1 902 . 1 1 235 235 LEU CA C 13 52.077 . . 1 . 1363 . . 235 LEU CA . 25197 1 903 . 1 1 235 235 LEU N N 15 119.541 0.111 . 1 . 2218 . . 235 LEU N . 25197 1 904 . 1 1 236 236 ARG H H 1 6.267 0.001 . 1 . 1880 . . 236 ARG H . 25197 1 905 . 1 1 236 236 ARG C C 13 174.572 0.033 . 1 . 1359 . . 236 ARG C . 25197 1 906 . 1 1 236 236 ARG CA C 13 53.831 0.007 . 1 . 1358 . . 236 ARG CA . 25197 1 907 . 1 1 236 236 ARG N N 15 116.504 0.049 . 1 . 1879 . . 236 ARG N . 25197 1 908 . 1 1 237 237 THR H H 1 8.301 0.0 . 1 . 1982 . . 237 THR H . 25197 1 909 . 1 1 237 237 THR C C 13 175.684 0.007 . 1 . 1367 . . 237 THR C . 25197 1 910 . 1 1 237 237 THR CA C 13 65.179 0.002 . 1 . 1364 . . 237 THR CA . 25197 1 911 . 1 1 237 237 THR N N 15 117.157 0.045 . 1 . 1981 . . 237 THR N . 25197 1 912 . 1 1 238 238 GLY H H 1 8.919 0.001 . 1 . 2121 . . 238 GLY H . 25197 1 913 . 1 1 238 238 GLY C C 13 174.870 0.007 . 1 . 1366 . . 238 GLY C . 25197 1 914 . 1 1 238 238 GLY CA C 13 45.020 0.028 . 1 . 1365 . . 238 GLY CA . 25197 1 915 . 1 1 238 238 GLY N N 15 115.107 0.061 . 1 . 2120 . . 238 GLY N . 25197 1 916 . 1 1 239 239 VAL H H 1 8.057 0.001 . 1 . 1884 . . 239 VAL H . 25197 1 917 . 1 1 239 239 VAL C C 13 174.729 0.006 . 1 . 1369 . . 239 VAL C . 25197 1 918 . 1 1 239 239 VAL CA C 13 62.123 0.013 . 1 . 1368 . . 239 VAL CA . 25197 1 919 . 1 1 239 239 VAL N N 15 122.721 0.047 . 1 . 1883 . . 239 VAL N . 25197 1 920 . 1 1 240 240 SER H H 1 8.412 0.001 . 1 . 2048 . . 240 SER H . 25197 1 921 . 1 1 240 240 SER C C 13 175.172 0.008 . 1 . 1371 . . 240 SER C . 25197 1 922 . 1 1 240 240 SER CA C 13 57.882 0.004 . 1 . 1370 . . 240 SER CA . 25197 1 923 . 1 1 240 240 SER N N 15 123.104 0.107 . 1 . 2047 . . 240 SER N . 25197 1 924 . 1 1 241 241 GLN H H 1 9.049 0.001 . 1 . 2153 . . 241 GLN H . 25197 1 925 . 1 1 241 241 GLN C C 13 178.815 0.001 . 1 . 1373 . . 241 GLN C . 25197 1 926 . 1 1 241 241 GLN CA C 13 59.423 0.006 . 1 . 1372 . . 241 GLN CA . 25197 1 927 . 1 1 241 241 GLN N N 15 123.784 0.053 . 1 . 2152 . . 241 GLN N . 25197 1 928 . 1 1 242 242 GLN H H 1 8.564 0.001 . 1 . 2209 . . 242 GLN H . 25197 1 929 . 1 1 242 242 GLN C C 13 178.839 0.014 . 1 . 1375 . . 242 GLN C . 25197 1 930 . 1 1 242 242 GLN CA C 13 59.452 0.005 . 1 . 1374 . . 242 GLN CA . 25197 1 931 . 1 1 242 242 GLN N N 15 118.782 0.02 . 1 . 2208 . . 242 GLN N . 25197 1 932 . 1 1 243 243 ILE H H 1 7.458 0.001 . 1 . 2018 . . 243 ILE H . 25197 1 933 . 1 1 243 243 ILE C C 13 177.524 . . 1 . 1376 . . 243 ILE C . 25197 1 934 . 1 1 243 243 ILE CA C 13 63.509 0.013 . 1 . 1377 . . 243 ILE CA . 25197 1 935 . 1 1 243 243 ILE N N 15 121.276 0.031 . 1 . 2017 . . 243 ILE N . 25197 1 936 . 1 1 244 244 ALA H H 1 8.517 0.002 . 1 . 2151 . . 244 ALA H . 25197 1 937 . 1 1 244 244 ALA C C 13 179.263 0.006 . 1 . 1389 . . 244 ALA C . 25197 1 938 . 1 1 244 244 ALA CA C 13 55.775 0.044 . 1 . 1390 . . 244 ALA CA . 25197 1 939 . 1 1 244 244 ALA N N 15 121.405 0.17 . 1 . 2150 . . 244 ALA N . 25197 1 940 . 1 1 245 245 SER H H 1 8.307 0.002 . 1 . 2185 . . 245 SER H . 25197 1 941 . 1 1 245 245 SER C C 13 176.220 . . 1 . 1480 . . 245 SER C . 25197 1 942 . 1 1 245 245 SER CA C 13 62.356 0.018 . 1 . 1481 . . 245 SER CA . 25197 1 943 . 1 1 245 245 SER N N 15 110.206 0.059 . 1 . 2184 . . 245 SER N . 25197 1 944 . 1 1 246 246 SER H H 1 7.626 0.002 . 1 . 2201 . . 246 SER H . 25197 1 945 . 1 1 246 246 SER C C 13 176.671 0.011 . 1 . 2246 . . 246 SER C . 25197 1 946 . 1 1 246 246 SER CA C 13 62.367 0.002 . 1 . 1388 . . 246 SER CA . 25197 1 947 . 1 1 246 246 SER N N 15 116.978 0.039 . 1 . 2200 . . 246 SER N . 25197 1 948 . 1 1 247 247 VAL H H 1 8.637 0.002 . 1 . 2215 . . 247 VAL H . 25197 1 949 . 1 1 247 247 VAL C C 13 177.441 0.058 . 1 . 1387 . . 247 VAL C . 25197 1 950 . 1 1 247 247 VAL CA C 13 66.870 0.013 . 1 . 1386 . . 247 VAL CA . 25197 1 951 . 1 1 247 247 VAL N N 15 120.624 0.075 . 1 . 2214 . . 247 VAL N . 25197 1 952 . 1 1 248 248 VAL H H 1 8.171 0.001 . 1 . 1954 . . 248 VAL H . 25197 1 953 . 1 1 248 248 VAL C C 13 177.004 . . 1 . 1466 . . 248 VAL C . 25197 1 954 . 1 1 248 248 VAL CA C 13 66.904 0.013 . 1 . 1385 . . 248 VAL CA . 25197 1 955 . 1 1 248 248 VAL N N 15 116.212 0.033 . 1 . 1953 . . 248 VAL N . 25197 1 956 . 1 1 249 249 GLN H H 1 8.260 0.001 . 1 . 1888 . . 249 GLN H . 25197 1 957 . 1 1 249 249 GLN C C 13 177.816 0.015 . 1 . 1383 . . 249 GLN C . 25197 1 958 . 1 1 249 249 GLN CA C 13 60.306 0.026 . 1 . 1384 . . 249 GLN CA . 25197 1 959 . 1 1 249 249 GLN N N 15 119.744 0.034 . 1 . 1887 . . 249 GLN N . 25197 1 960 . 1 1 250 250 ARG H H 1 8.003 0.004 . 1 . 2103 . . 250 ARG H . 25197 1 961 . 1 1 250 250 ARG C C 13 179.697 0.004 . 1 . 1099 . . 250 ARG C . 25197 1 962 . 1 1 250 250 ARG CA C 13 58.983 0.025 . 1 . 1100 . . 250 ARG CA . 25197 1 963 . 1 1 250 250 ARG N N 15 117.364 0.029 . 1 . 2102 . . 250 ARG N . 25197 1 964 . 1 1 251 251 ALA H H 1 9.000 0.002 . 1 . 2237 . . 251 ALA H . 25197 1 965 . 1 1 251 251 ALA C C 13 179.354 0.001 . 1 . 1101 . . 251 ALA C . 25197 1 966 . 1 1 251 251 ALA CA C 13 55.468 0.007 . 1 . 1102 . . 251 ALA CA . 25197 1 967 . 1 1 251 251 ALA N N 15 122.114 0.057 . 1 . 2236 . . 251 ALA N . 25197 1 968 . 1 1 252 252 ALA H H 1 8.558 0.002 . 1 . 1942 . . 252 ALA H . 25197 1 969 . 1 1 252 252 ALA C C 13 178.901 0.034 . 1 . 1103 . . 252 ALA C . 25197 1 970 . 1 1 252 252 ALA CA C 13 55.544 0.006 . 1 . 1104 . . 252 ALA CA . 25197 1 971 . 1 1 252 252 ALA N N 15 119.238 0.099 . 1 . 1941 . . 252 ALA N . 25197 1 972 . 1 1 253 253 GLN H H 1 7.913 0.0 . 1 . 1898 . . 253 GLN H . 25197 1 973 . 1 1 253 253 GLN C C 13 179.324 0.007 . 1 . 1105 . . 253 GLN C . 25197 1 974 . 1 1 253 253 GLN CA C 13 59.335 0.001 . 1 . 1106 . . 253 GLN CA . 25197 1 975 . 1 1 253 253 GLN N N 15 116.153 0.052 . 1 . 1897 . . 253 GLN N . 25197 1 976 . 1 1 254 254 SER H H 1 8.296 0.0 . 1 . 2062 . . 254 SER H . 25197 1 977 . 1 1 254 254 SER C C 13 176.867 . . 1 . 2063 . . 254 SER C . 25197 1 978 . 1 1 254 254 SER CA C 13 61.754 0.022 . 1 . 1107 . . 254 SER CA . 25197 1 979 . 1 1 254 254 SER N N 15 116.164 0.026 . 1 . 2061 . . 254 SER N . 25197 1 980 . 1 1 255 255 LEU H H 1 8.487 0.003 . 1 . 2129 . . 255 LEU H . 25197 1 981 . 1 1 255 255 LEU C C 13 178.001 0.018 . 1 . 1467 . . 255 LEU C . 25197 1 982 . 1 1 255 255 LEU CA C 13 58.384 0.01 . 1 . 1108 . . 255 LEU CA . 25197 1 983 . 1 1 255 255 LEU N N 15 123.203 0.079 . 1 . 2128 . . 255 LEU N . 25197 1 984 . 1 1 256 256 ALA H H 1 8.184 0.0 . 1 . 2161 . . 256 ALA H . 25197 1 985 . 1 1 256 256 ALA C C 13 179.586 0.004 . 1 . 1109 . . 256 ALA C . 25197 1 986 . 1 1 256 256 ALA CA C 13 55.536 0.025 . 1 . 1110 . . 256 ALA CA . 25197 1 987 . 1 1 256 256 ALA N N 15 121.777 0.064 . 1 . 2160 . . 256 ALA N . 25197 1 988 . 1 1 257 257 SER H H 1 7.988 0.001 . 1 . 1892 . . 257 SER H . 25197 1 989 . 1 1 257 257 SER C C 13 177.267 . . 1 . 1468 . . 257 SER C . 25197 1 990 . 1 1 257 257 SER CA C 13 61.319 0.017 . 1 . 1111 . . 257 SER CA . 25197 1 991 . 1 1 257 257 SER N N 15 112.878 0.042 . 1 . 1891 . . 257 SER N . 25197 1 992 . 1 1 258 258 THR H H 1 8.045 0.001 . 1 . 2241 . . 258 THR H . 25197 1 993 . 1 1 258 258 THR C C 13 175.716 0.005 . 1 . 1112 . . 258 THR C . 25197 1 994 . 1 1 258 258 THR CA C 13 65.923 0.013 . 1 . 1113 . . 258 THR CA . 25197 1 995 . 1 1 258 258 THR N N 15 117.343 0.058 . 1 . 2240 . . 258 THR N . 25197 1 996 . 1 1 259 259 LEU H H 1 7.891 0.002 . 1 . 2223 . . 259 LEU H . 25197 1 997 . 1 1 259 259 LEU C C 13 177.212 0.024 . 1 . 1114 . . 259 LEU C . 25197 1 998 . 1 1 259 259 LEU CA C 13 55.044 0.007 . 1 . 1115 . . 259 LEU CA . 25197 1 999 . 1 1 259 259 LEU N N 15 118.125 0.081 . 1 . 2222 . . 259 LEU N . 25197 1 1000 . 1 1 260 260 GLY H H 1 7.998 0.0 . 1 . 2127 . . 260 GLY H . 25197 1 1001 . 1 1 260 260 GLY C C 13 175.057 0.01 . 1 . 1116 . . 260 GLY C . 25197 1 1002 . 1 1 260 260 GLY CA C 13 46.595 0.007 . 1 . 1117 . . 260 GLY CA . 25197 1 1003 . 1 1 260 260 GLY N N 15 108.764 0.028 . 1 . 2126 . . 260 GLY N . 25197 1 1004 . 1 1 261 261 VAL H H 1 7.559 0.004 . 1 . 2211 . . 261 VAL H . 25197 1 1005 . 1 1 261 261 VAL C C 13 174.855 0.003 . 1 . 1118 . . 261 VAL C . 25197 1 1006 . 1 1 261 261 VAL CA C 13 58.938 0.015 . 1 . 1119 . . 261 VAL CA . 25197 1 1007 . 1 1 261 261 VAL N N 15 111.748 0.044 . 1 . 2210 . . 261 VAL N . 25197 1 1008 . 1 1 262 262 ASP H H 1 8.330 0.002 . 1 . 1906 . . 262 ASP H . 25197 1 1009 . 1 1 262 262 ASP C C 13 177.907 0.005 . 1 . 1120 . . 262 ASP C . 25197 1 1010 . 1 1 262 262 ASP CA C 13 54.908 0.006 . 1 . 1121 . . 262 ASP CA . 25197 1 1011 . 1 1 262 262 ASP N N 15 119.771 0.091 . 1 . 1905 . . 262 ASP N . 25197 1 1012 . 1 1 263 263 GLY H H 1 8.857 0.001 . 1 . 2016 . . 263 GLY H . 25197 1 1013 . 1 1 263 263 GLY C C 13 174.869 0.001 . 1 . 1122 . . 263 GLY C . 25197 1 1014 . 1 1 263 263 GLY CA C 13 46.903 0.0 . 1 . 1123 . . 263 GLY CA . 25197 1 1015 . 1 1 263 263 GLY N N 15 115.829 0.049 . 1 . 2015 . . 263 GLY N . 25197 1 1016 . 1 1 264 264 ASN H H 1 8.354 0.001 . 1 . 2243 . . 264 ASN H . 25197 1 1017 . 1 1 264 264 ASN C C 13 177.884 0.014 . 1 . 1124 . . 264 ASN C . 25197 1 1018 . 1 1 264 264 ASN CA C 13 56.561 0.008 . 1 . 1125 . . 264 ASN CA . 25197 1 1019 . 1 1 264 264 ASN N N 15 120.531 0.044 . 1 . 2242 . . 264 ASN N . 25197 1 1020 . 1 1 265 265 ASN H H 1 8.427 0.0 . 1 . 1952 . . 265 ASN H . 25197 1 1021 . 1 1 265 265 ASN C C 13 176.683 0.002 . 1 . 1126 . . 265 ASN C . 25197 1 1022 . 1 1 265 265 ASN CA C 13 56.140 0.043 . 1 . 1127 . . 265 ASN CA . 25197 1 1023 . 1 1 265 265 ASN N N 15 119.377 0.039 . 1 . 1951 . . 265 ASN N . 25197 1 1024 . 1 1 266 266 LEU H H 1 7.935 0.001 . 1 . 2065 . . 266 LEU H . 25197 1 1025 . 1 1 266 266 LEU C C 13 177.854 0.005 . 1 . 1128 . . 266 LEU C . 25197 1 1026 . 1 1 266 266 LEU CA C 13 58.629 0.013 . 1 . 1129 . . 266 LEU CA . 25197 1 1027 . 1 1 266 266 LEU N N 15 118.966 0.027 . 1 . 2064 . . 266 LEU N . 25197 1 1028 . 1 1 267 267 ALA H H 1 8.518 0.004 . 1 . 2101 . . 267 ALA H . 25197 1 1029 . 1 1 267 267 ALA C C 13 178.687 0.002 . 1 . 1130 . . 267 ALA C . 25197 1 1030 . 1 1 267 267 ALA CA C 13 55.694 0.02 . 1 . 1131 . . 267 ALA CA . 25197 1 1031 . 1 1 267 267 ALA N N 15 118.911 0.039 . 1 . 2100 . . 267 ALA N . 25197 1 1032 . 1 1 268 268 ARG H H 1 7.753 0.002 . 1 . 2213 . . 268 ARG H . 25197 1 1033 . 1 1 268 268 ARG C C 13 179.423 0.002 . 1 . 1133 . . 268 ARG C . 25197 1 1034 . 1 1 268 268 ARG CA C 13 59.896 0.048 . 1 . 1132 . . 268 ARG CA . 25197 1 1035 . 1 1 268 268 ARG N N 15 117.598 0.04 . 1 . 2212 . . 268 ARG N . 25197 1 1036 . 1 1 269 269 PHE H H 1 8.031 0.002 . 1 . 2050 . . 269 PHE H . 25197 1 1037 . 1 1 269 269 PHE C C 13 179.181 0.024 . 1 . 1134 . . 269 PHE C . 25197 1 1038 . 1 1 269 269 PHE CA C 13 61.629 0.058 . 1 . 1135 . . 269 PHE CA . 25197 1 1039 . 1 1 269 269 PHE N N 15 116.843 0.044 . 1 . 2049 . . 269 PHE N . 25197 1 1040 . 1 1 270 270 ALA H H 1 8.721 0.0 . 1 . 1978 . . 270 ALA H . 25197 1 1041 . 1 1 270 270 ALA C C 13 178.285 0.005 . 1 . 1136 . . 270 ALA C . 25197 1 1042 . 1 1 270 270 ALA CA C 13 55.841 0.013 . 1 . 1137 . . 270 ALA CA . 25197 1 1043 . 1 1 270 270 ALA N N 15 123.071 0.055 . 1 . 1977 . . 270 ALA N . 25197 1 1044 . 1 1 271 271 VAL H H 1 8.730 0.003 . 1 . 1882 . . 271 VAL H . 25197 1 1045 . 1 1 271 271 VAL C C 13 179.268 0.005 . 1 . 1138 . . 271 VAL C . 25197 1 1046 . 1 1 271 271 VAL CA C 13 66.843 0.006 . 1 . 1139 . . 271 VAL CA . 25197 1 1047 . 1 1 271 271 VAL N N 15 117.755 0.03 . 1 . 1881 . . 271 VAL N . 25197 1 1048 . 1 1 272 272 GLN H H 1 8.116 0.001 . 1 . 2054 . . 272 GLN H . 25197 1 1049 . 1 1 272 272 GLN C C 13 178.562 0.012 . 1 . 1141 . . 272 GLN C . 25197 1 1050 . 1 1 272 272 GLN CA C 13 59.366 0.014 . 1 . 1140 . . 272 GLN CA . 25197 1 1051 . 1 1 272 272 GLN N N 15 120.632 0.049 . 1 . 2053 . . 272 GLN N . 25197 1 1052 . 1 1 273 273 ALA H H 1 7.852 0.001 . 1 . 2056 . . 273 ALA H . 25197 1 1053 . 1 1 273 273 ALA C C 13 180.825 0.002 . 1 . 1322 . . 273 ALA C . 25197 1 1054 . 1 1 273 273 ALA CA C 13 55.169 0.006 . 1 . 1407 . . 273 ALA CA . 25197 1 1055 . 1 1 273 273 ALA N N 15 119.970 0.056 . 1 . 2055 . . 273 ALA N . 25197 1 1056 . 1 1 274 274 VAL H H 1 8.074 0.003 . 1 . 1900 . . 274 VAL H . 25197 1 1057 . 1 1 274 274 VAL C C 13 178.369 0.02 . 1 . 1423 . . 274 VAL C . 25197 1 1058 . 1 1 274 274 VAL CA C 13 65.181 0.001 . 1 . 1422 . . 274 VAL CA . 25197 1 1059 . 1 1 274 274 VAL N N 15 114.910 0.046 . 1 . 1899 . . 274 VAL N . 25197 1 1060 . 1 1 275 275 SER H H 1 8.349 0.002 . 1 . 2109 . . 275 SER H . 25197 1 1061 . 1 1 275 275 SER C C 13 174.456 . . 1 . 1425 . . 275 SER C . 25197 1 1062 . 1 1 275 275 SER CA C 13 61.355 0.01 . 1 . 1424 . . 275 SER CA . 25197 1 1063 . 1 1 275 275 SER N N 15 117.054 0.04 . 1 . 2108 . . 275 SER N . 25197 1 1064 . 1 1 276 276 ARG H H 1 6.948 0.001 . 1 . 1948 . . 276 ARG H . 25197 1 1065 . 1 1 276 276 ARG C C 13 176.467 0.001 . 1 . 1143 . . 276 ARG C . 25197 1 1066 . 1 1 276 276 ARG CA C 13 55.756 0.012 . 1 . 1142 . . 276 ARG CA . 25197 1 1067 . 1 1 276 276 ARG N N 15 117.473 0.048 . 1 . 1947 . . 276 ARG N . 25197 1 1068 . 1 1 277 277 LEU H H 1 7.312 0.001 . 1 . 2067 . . 277 LEU H . 25197 1 1069 . 1 1 277 277 LEU C C 13 175.391 . . 1 . 1426 . . 277 LEU C . 25197 1 1070 . 1 1 277 277 LEU CA C 13 52.911 . . 1 . 1392 . . 277 LEU CA . 25197 1 1071 . 1 1 277 277 LEU N N 15 121.647 0.041 . 1 . 2066 . . 277 LEU N . 25197 1 1072 . 1 1 278 278 PRO C C 13 177.543 . . 1 . 1469 . . 278 PRO C . 25197 1 1073 . 1 1 278 278 PRO CA C 13 61.980 . . 1 . 1327 . . 278 PRO CA . 25197 1 1074 . 1 1 279 279 ALA H H 1 8.745 0.0 . 1 . 2221 . . 279 ALA H . 25197 1 1075 . 1 1 279 279 ALA C C 13 178.823 0.002 . 1 . 1144 . . 279 ALA C . 25197 1 1076 . 1 1 279 279 ALA CA C 13 53.551 0.005 . 1 . 1145 . . 279 ALA CA . 25197 1 1077 . 1 1 279 279 ALA N N 15 125.896 0.049 . 1 . 2220 . . 279 ALA N . 25197 1 1078 . 1 1 280 280 GLY H H 1 8.929 0.001 . 1 . 2030 . . 280 GLY H . 25197 1 1079 . 1 1 280 280 GLY C C 13 175.024 0.003 . 1 . 1146 . . 280 GLY C . 25197 1 1080 . 1 1 280 280 GLY CA C 13 45.624 0.011 . 1 . 1147 . . 280 GLY CA . 25197 1 1081 . 1 1 280 280 GLY N N 15 110.482 0.034 . 1 . 2029 . . 280 GLY N . 25197 1 1082 . 1 1 281 281 SER H H 1 7.527 0.001 . 1 . 2155 . . 281 SER H . 25197 1 1083 . 1 1 281 281 SER C C 13 171.534 0.006 . 1 . 1149 . . 281 SER C . 25197 1 1084 . 1 1 281 281 SER CA C 13 61.469 0.004 . 1 . 1148 . . 281 SER CA . 25197 1 1085 . 1 1 281 281 SER N N 15 116.980 0.037 . 1 . 2154 . . 281 SER N . 25197 1 1086 . 1 1 282 282 ASP H H 1 8.294 0.001 . 1 . 2177 . . 282 ASP H . 25197 1 1087 . 1 1 282 282 ASP C C 13 176.651 0.003 . 1 . 1150 . . 282 ASP C . 25197 1 1088 . 1 1 282 282 ASP CA C 13 52.083 0.001 . 1 . 1151 . . 282 ASP CA . 25197 1 1089 . 1 1 282 282 ASP N N 15 121.170 0.044 . 1 . 2176 . . 282 ASP N . 25197 1 1090 . 1 1 283 283 THR H H 1 8.275 0.001 . 1 . 2091 . . 283 THR H . 25197 1 1091 . 1 1 283 283 THR C C 13 176.324 . . 1 . 1421 . . 283 THR C . 25197 1 1092 . 1 1 283 283 THR CA C 13 67.309 0.017 . 1 . 1152 . . 283 THR CA . 25197 1 1093 . 1 1 283 283 THR N N 15 114.990 0.03 . 1 . 2090 . . 283 THR N . 25197 1 1094 . 1 1 284 284 SER H H 1 8.605 0.001 . 1 . 1910 . . 284 SER H . 25197 1 1095 . 1 1 284 284 SER C C 13 175.922 . . 1 . 1420 . . 284 SER C . 25197 1 1096 . 1 1 284 284 SER CA C 13 62.551 0.009 . 1 . 1153 . . 284 SER CA . 25197 1 1097 . 1 1 284 284 SER N N 15 115.901 0.028 . 1 . 1909 . . 284 SER N . 25197 1 1098 . 1 1 285 285 ALA H H 1 7.801 0.001 . 1 . 2115 . . 285 ALA H . 25197 1 1099 . 1 1 285 285 ALA C C 13 180.864 0.002 . 1 . 1155 . . 285 ALA C . 25197 1 1100 . 1 1 285 285 ALA CA C 13 54.985 0.006 . 1 . 1154 . . 285 ALA CA . 25197 1 1101 . 1 1 285 285 ALA N N 15 125.856 0.054 . 1 . 2114 . . 285 ALA N . 25197 1 1102 . 1 1 286 286 TYR H H 1 7.611 0.001 . 1 . 2157 . . 286 TYR H . 25197 1 1103 . 1 1 286 286 TYR C C 13 178.237 0.002 . 1 . 1158 . . 286 TYR C . 25197 1 1104 . 1 1 286 286 TYR CA C 13 62.953 0.009 . 1 . 1157 . . 286 TYR CA . 25197 1 1105 . 1 1 286 286 TYR N N 15 117.693 0.024 . 1 . 2156 . . 286 TYR N . 25197 1 1106 . 1 1 287 287 ALA H H 1 8.831 0.001 . 1 . 1976 . . 287 ALA H . 25197 1 1107 . 1 1 287 287 ALA C C 13 179.511 0.009 . 1 . 1160 . . 287 ALA C . 25197 1 1108 . 1 1 287 287 ALA CA C 13 55.755 0.027 . 1 . 1161 . . 287 ALA CA . 25197 1 1109 . 1 1 287 287 ALA N N 15 121.743 0.053 . 1 . 1975 . . 287 ALA N . 25197 1 1110 . 1 1 288 288 GLN H H 1 8.222 0.001 . 1 . 2107 . . 288 GLN H . 25197 1 1111 . 1 1 288 288 GLN C C 13 177.860 0.003 . 1 . 1162 . . 288 GLN C . 25197 1 1112 . 1 1 288 288 GLN CA C 13 59.365 0.01 . 1 . 1450 . . 288 GLN CA . 25197 1 1113 . 1 1 288 288 GLN N N 15 119.138 0.043 . 1 . 2106 . . 288 GLN N . 25197 1 1114 . 1 1 289 289 ALA H H 1 7.947 0.001 . 1 . 1865 . . 289 ALA H . 25197 1 1115 . 1 1 289 289 ALA C C 13 179.589 0.006 . 1 . 1163 . . 289 ALA C . 25197 1 1116 . 1 1 289 289 ALA CA C 13 55.125 0.015 . 1 . 1164 . . 289 ALA CA . 25197 1 1117 . 1 1 289 289 ALA N N 15 122.894 0.093 . 1 . 1864 . . 289 ALA N . 25197 1 1118 . 1 1 290 290 PHE H H 1 8.426 0.002 . 1 . 1867 . . 290 PHE H . 25197 1 1119 . 1 1 290 290 PHE C C 13 178.393 0.01 . 1 . 1159 . . 290 PHE C . 25197 1 1120 . 1 1 290 290 PHE CA C 13 60.375 0.009 . 1 . 1165 . . 290 PHE CA . 25197 1 1121 . 1 1 290 290 PHE N N 15 117.396 0.027 . 1 . 1866 . . 290 PHE N . 25197 1 1122 . 1 1 291 291 SER H H 1 8.402 0.005 . 1 . 2089 . . 291 SER H . 25197 1 1123 . 1 1 291 291 SER C C 13 176.899 0.044 . 1 . 1166 . . 291 SER C . 25197 1 1124 . 1 1 291 291 SER CA C 13 61.847 0.003 . 1 . 1167 . . 291 SER CA . 25197 1 1125 . 1 1 291 291 SER N N 15 111.517 0.057 . 1 . 2088 . . 291 SER N . 25197 1 1126 . 1 1 292 292 SER H H 1 8.715 0.001 . 1 . 2014 . . 292 SER H . 25197 1 1127 . 1 1 292 292 SER C C 13 176.472 . . 1 . 1419 . . 292 SER C . 25197 1 1128 . 1 1 292 292 SER CA C 13 62.516 0.019 . 1 . 1168 . . 292 SER CA . 25197 1 1129 . 1 1 292 292 SER N N 15 112.988 0.03 . 1 . 2013 . . 292 SER N . 25197 1 1130 . 1 1 293 293 ALA H H 1 7.913 0.002 . 1 . 2125 . . 293 ALA H . 25197 1 1131 . 1 1 293 293 ALA C C 13 178.506 0.085 . 1 . 1170 . . 293 ALA C . 25197 1 1132 . 1 1 293 293 ALA CA C 13 55.843 0.011 . 1 . 1169 . . 293 ALA CA . 25197 1 1133 . 1 1 293 293 ALA N N 15 123.692 0.03 . 1 . 2124 . . 293 ALA N . 25197 1 1134 . 1 1 294 294 LEU H H 1 8.042 0.002 . 1 . 2235 . . 294 LEU H . 25197 1 1135 . 1 1 294 294 LEU C C 13 179.286 0.042 . 1 . 1171 . . 294 LEU C . 25197 1 1136 . 1 1 294 294 LEU CA C 13 58.420 0.001 . 1 . 1470 . . 294 LEU CA . 25197 1 1137 . 1 1 294 294 LEU N N 15 116.480 0.041 . 1 . 2234 . . 294 LEU N . 25197 1 1138 . 1 1 295 295 PHE H H 1 7.760 0.002 . 1 . 1986 . . 295 PHE H . 25197 1 1139 . 1 1 295 295 PHE C C 13 180.161 0.003 . 1 . 1178 . . 295 PHE C . 25197 1 1140 . 1 1 295 295 PHE CA C 13 60.667 0.08 . 1 . 1176 . . 295 PHE CA . 25197 1 1141 . 1 1 295 295 PHE N N 15 117.277 0.021 . 1 . 1985 . . 295 PHE N . 25197 1 1142 . 1 1 296 296 ASN H H 1 9.195 0.001 . 1 . 1998 . . 296 ASN H . 25197 1 1143 . 1 1 296 296 ASN C C 13 176.586 0.008 . 1 . 1180 . . 296 ASN C . 25197 1 1144 . 1 1 296 296 ASN CA C 13 56.057 0.021 . 1 . 1179 . . 296 ASN CA . 25197 1 1145 . 1 1 296 296 ASN N N 15 122.248 0.034 . 1 . 1997 . . 296 ASN N . 25197 1 1146 . 1 1 297 297 ALA H H 1 8.092 0.002 . 1 . 1938 . . 297 ALA H . 25197 1 1147 . 1 1 297 297 ALA C C 13 177.436 0.017 . 1 . 1172 . . 297 ALA C . 25197 1 1148 . 1 1 297 297 ALA CA C 13 52.227 0.004 . 1 . 1177 . . 297 ALA CA . 25197 1 1149 . 1 1 297 297 ALA N N 15 117.284 0.048 . 1 . 1937 . . 297 ALA N . 25197 1 1150 . 1 1 298 298 GLY H H 1 7.500 0.001 . 1 . 2038 . . 298 GLY H . 25197 1 1151 . 1 1 298 298 GLY C C 13 174.207 0.011 . 1 . 1173 . . 298 GLY C . 25197 1 1152 . 1 1 298 298 GLY CA C 13 45.519 0.006 . 1 . 1181 . . 298 GLY CA . 25197 1 1153 . 1 1 298 298 GLY N N 15 105.083 0.035 . 1 . 2037 . . 298 GLY N . 25197 1 1154 . 1 1 299 299 VAL H H 1 7.627 0.002 . 1 . 1960 . . 299 VAL H . 25197 1 1155 . 1 1 299 299 VAL C C 13 175.847 0.002 . 1 . 1174 . . 299 VAL C . 25197 1 1156 . 1 1 299 299 VAL CA C 13 64.913 0.005 . 1 . 1182 . . 299 VAL CA . 25197 1 1157 . 1 1 299 299 VAL N N 15 118.976 0.041 . 1 . 1959 . . 299 VAL N . 25197 1 1158 . 1 1 300 300 LEU H H 1 6.392 0.002 . 1 . 2113 . . 300 LEU H . 25197 1 1159 . 1 1 300 300 LEU C C 13 174.444 0.002 . 1 . 1175 . . 300 LEU C . 25197 1 1160 . 1 1 300 300 LEU CA C 13 51.481 0.011 . 1 . 1183 . . 300 LEU CA . 25197 1 1161 . 1 1 300 300 LEU N N 15 112.925 0.04 . 1 . 2112 . . 300 LEU N . 25197 1 1162 . 1 1 301 301 ASN H H 1 8.670 0.001 . 1 . 2026 . . 301 ASN H . 25197 1 1163 . 1 1 301 301 ASN C C 13 173.885 0.006 . 1 . 1184 . . 301 ASN C . 25197 1 1164 . 1 1 301 301 ASN CA C 13 52.217 0.017 . 1 . 1185 . . 301 ASN CA . 25197 1 1165 . 1 1 301 301 ASN N N 15 114.578 0.054 . 1 . 2025 . . 301 ASN N . 25197 1 1166 . 1 1 302 302 ALA H H 1 8.861 0.001 . 1 . 1996 . . 302 ALA H . 25197 1 1167 . 1 1 302 302 ALA C C 13 178.919 0.011 . 1 . 1187 . . 302 ALA C . 25197 1 1168 . 1 1 302 302 ALA CA C 13 55.154 0.022 . 1 . 1186 . . 302 ALA CA . 25197 1 1169 . 1 1 302 302 ALA N N 15 118.687 0.06 . 1 . 1995 . . 302 ALA N . 25197 1 1170 . 1 1 303 303 SER H H 1 8.407 0.003 . 1 . 2131 . . 303 SER H . 25197 1 1171 . 1 1 303 303 SER C C 13 175.594 0.008 . 1 . 1188 . . 303 SER C . 25197 1 1172 . 1 1 303 303 SER CA C 13 60.041 0.017 . 1 . 1189 . . 303 SER CA . 25197 1 1173 . 1 1 303 303 SER N N 15 111.425 0.033 . 1 . 2130 . . 303 SER N . 25197 1 1174 . 1 1 304 304 ASN H H 1 7.989 0.001 . 1 . 2183 . . 304 ASN H . 25197 1 1175 . 1 1 304 304 ASN C C 13 178.765 0.01 . 1 . 1191 . . 304 ASN C . 25197 1 1176 . 1 1 304 304 ASN CA C 13 51.994 0.015 . 1 . 1190 . . 304 ASN CA . 25197 1 1177 . 1 1 304 304 ASN N N 15 118.722 0.042 . 1 . 2182 . . 304 ASN N . 25197 1 1178 . 1 1 305 305 ILE H H 1 7.673 0.0 . 1 . 1918 . . 305 ILE H . 25197 1 1179 . 1 1 305 305 ILE C C 13 176.621 0.009 . 1 . 1192 . . 305 ILE C . 25197 1 1180 . 1 1 305 305 ILE CA C 13 64.461 0.01 . 1 . 1196 . . 305 ILE CA . 25197 1 1181 . 1 1 305 305 ILE N N 15 121.444 0.063 . 1 . 1917 . . 305 ILE N . 25197 1 1182 . 1 1 306 306 ASP H H 1 8.318 0.0 . 1 . 2042 . . 306 ASP H . 25197 1 1183 . 1 1 306 306 ASP C C 13 177.186 0.008 . 1 . 1193 . . 306 ASP C . 25197 1 1184 . 1 1 306 306 ASP CA C 13 56.770 0.012 . 1 . 1197 . . 306 ASP CA . 25197 1 1185 . 1 1 306 306 ASP N N 15 119.457 0.074 . 1 . 2041 . . 306 ASP N . 25197 1 1186 . 1 1 307 307 THR H H 1 7.586 0.001 . 1 . 2046 . . 307 THR H . 25197 1 1187 . 1 1 307 307 THR C C 13 176.092 0.003 . 1 . 1198 . . 307 THR C . 25197 1 1188 . 1 1 307 307 THR CA C 13 63.172 0.008 . 1 . 1199 . . 307 THR CA . 25197 1 1189 . 1 1 307 307 THR N N 15 110.532 0.025 . 1 . 2045 . . 307 THR N . 25197 1 1190 . 1 1 308 308 LEU H H 1 8.720 0.001 . 1 . 1886 . . 308 LEU H . 25197 1 1191 . 1 1 308 308 LEU C C 13 177.872 0.016 . 1 . 1194 . . 308 LEU C . 25197 1 1192 . 1 1 308 308 LEU CA C 13 54.643 0.008 . 1 . 1200 . . 308 LEU CA . 25197 1 1193 . 1 1 308 308 LEU N N 15 122.292 0.018 . 1 . 1885 . . 308 LEU N . 25197 1 1194 . 1 1 309 309 GLY H H 1 7.936 0.001 . 1 . 2207 . . 309 GLY H . 25197 1 1195 . 1 1 309 309 GLY C C 13 174.796 0.004 . 1 . 1195 . . 309 GLY C . 25197 1 1196 . 1 1 309 309 GLY CA C 13 49.035 0.0 . 1 . 1203 . . 309 GLY CA . 25197 1 1197 . 1 1 309 309 GLY N N 15 107.555 0.04 . 1 . 2206 . . 309 GLY N . 25197 1 1198 . 1 1 310 310 SER H H 1 8.803 0.001 . 1 . 2169 . . 310 SER H . 25197 1 1199 . 1 1 310 310 SER C C 13 176.741 0.031 . 1 . 1201 . . 310 SER C . 25197 1 1200 . 1 1 310 310 SER CA C 13 62.212 0.002 . 1 . 1204 . . 310 SER CA . 25197 1 1201 . 1 1 310 310 SER N N 15 115.793 0.033 . 1 . 2168 . . 310 SER N . 25197 1 1202 . 1 1 311 311 ARG H H 1 7.758 0.002 . 1 . 2233 . . 311 ARG H . 25197 1 1203 . 1 1 311 311 ARG C C 13 179.399 0.003 . 1 . 1205 . . 311 ARG C . 25197 1 1204 . 1 1 311 311 ARG CA C 13 59.107 0.046 . 1 . 1206 . . 311 ARG CA . 25197 1 1205 . 1 1 311 311 ARG N N 15 123.785 0.04 . 1 . 2232 . . 311 ARG N . 25197 1 1206 . 1 1 312 312 VAL H H 1 8.353 0.003 . 1 . 1940 . . 312 VAL H . 25197 1 1207 . 1 1 312 312 VAL C C 13 177.077 0.024 . 1 . 1202 . . 312 VAL C . 25197 1 1208 . 1 1 312 312 VAL CA C 13 66.685 0.015 . 1 . 1207 . . 312 VAL CA . 25197 1 1209 . 1 1 312 312 VAL N N 15 120.199 0.058 . 1 . 1939 . . 312 VAL N . 25197 1 1210 . 1 1 313 313 LEU H H 1 8.522 0.002 . 1 . 1869 . . 313 LEU H . 25197 1 1211 . 1 1 313 313 LEU C C 13 178.771 0.058 . 1 . 1209 . . 313 LEU C . 25197 1 1212 . 1 1 313 313 LEU CA C 13 58.849 0.027 . 1 . 1208 . . 313 LEU CA . 25197 1 1213 . 1 1 313 313 LEU N N 15 119.208 0.095 . 1 . 1868 . . 313 LEU N . 25197 1 1214 . 1 1 314 314 SER H H 1 8.110 0.002 . 1 . 1946 . . 314 SER H . 25197 1 1215 . 1 1 314 314 SER C C 13 176.459 . . 1 . 1326 . . 314 SER C . 25197 1 1216 . 1 1 314 314 SER CA C 13 61.653 . . 1 . 1325 . . 314 SER CA . 25197 1 1217 . 1 1 314 314 SER N N 15 112.449 0.037 . 1 . 1945 . . 314 SER N . 25197 1 1218 . 1 1 315 315 ALA H H 1 7.881 0.001 . 1 . 1958 . . 315 ALA H . 25197 1 1219 . 1 1 315 315 ALA C C 13 180.986 0.003 . 1 . 1211 . . 315 ALA C . 25197 1 1220 . 1 1 315 315 ALA CA C 13 54.850 0.016 . 1 . 1210 . . 315 ALA CA . 25197 1 1221 . 1 1 315 315 ALA N N 15 122.704 0.037 . 1 . 1957 . . 315 ALA N . 25197 1 1222 . 1 1 316 316 LEU H H 1 8.830 0.004 . 1 . 2077 . . 316 LEU H . 25197 1 1223 . 1 1 316 316 LEU C C 13 178.486 0.005 . 1 . 1458 . . 316 LEU C . 25197 1 1224 . 1 1 316 316 LEU CA C 13 59.046 0.015 . 1 . 1212 . . 316 LEU CA . 25197 1 1225 . 1 1 316 316 LEU N N 15 121.341 0.044 . 1 . 2076 . . 316 LEU N . 25197 1 1226 . 1 1 317 317 LEU H H 1 8.579 0.001 . 1 . 2145 . . 317 LEU H . 25197 1 1227 . 1 1 317 317 LEU C C 13 179.251 0.015 . 1 . 1457 . . 317 LEU C . 25197 1 1228 . 1 1 317 317 LEU CA C 13 58.864 0.048 . 1 . 1213 . . 317 LEU CA . 25197 1 1229 . 1 1 317 317 LEU N N 15 120.749 0.098 . 1 . 2144 . . 317 LEU N . 25197 1 1230 . 1 1 318 318 ASN H H 1 8.174 0.001 . 1 . 2036 . . 318 ASN H . 25197 1 1231 . 1 1 318 318 ASN C C 13 177.953 0.003 . 1 . 1331 . . 318 ASN C . 25197 1 1232 . 1 1 318 318 ASN CA C 13 56.927 0.011 . 1 . 1215 . . 318 ASN CA . 25197 1 1233 . 1 1 318 318 ASN N N 15 117.332 0.066 . 1 . 2035 . . 318 ASN N . 25197 1 1234 . 1 1 319 319 GLY H H 1 8.203 0.006 . 1 . 2058 . . 319 GLY H . 25197 1 1235 . 1 1 319 319 GLY C C 13 175.716 0.022 . 1 . 1216 . . 319 GLY C . 25197 1 1236 . 1 1 319 319 GLY CA C 13 47.205 0.004 . 1 . 1214 . . 319 GLY CA . 25197 1 1237 . 1 1 319 319 GLY N N 15 109.288 0.039 . 1 . 2057 . . 319 GLY N . 25197 1 1238 . 1 1 320 320 VAL H H 1 8.937 0.001 . 1 . 2173 . . 320 VAL H . 25197 1 1239 . 1 1 320 320 VAL C C 13 176.702 . . 1 . 1335 . . 320 VAL C . 25197 1 1240 . 1 1 320 320 VAL CA C 13 67.092 0.007 . 1 . 1334 . . 320 VAL CA . 25197 1 1241 . 1 1 320 320 VAL N N 15 123.195 0.037 . 1 . 2172 . . 320 VAL N . 25197 1 1242 . 1 1 321 321 SER H H 1 8.095 0.002 . 1 . 2205 . . 321 SER H . 25197 1 1243 . 1 1 321 321 SER C C 13 176.284 . . 1 . 1336 . . 321 SER C . 25197 1 1244 . 1 1 321 321 SER CA C 13 61.864 0.047 . 1 . 1332 . . 321 SER CA . 25197 1 1245 . 1 1 321 321 SER N N 15 113.706 0.03 . 1 . 2204 . . 321 SER N . 25197 1 1246 . 1 1 322 322 SER H H 1 7.945 0.002 . 1 . 1896 . . 322 SER H . 25197 1 1247 . 1 1 322 322 SER C C 13 177.650 . . 1 . 1337 . . 322 SER C . 25197 1 1248 . 1 1 322 322 SER CA C 13 61.738 0.044 . 1 . 1333 . . 322 SER CA . 25197 1 1249 . 1 1 322 322 SER N N 15 117.767 0.03 . 1 . 1895 . . 322 SER N . 25197 1 1250 . 1 1 323 323 ALA H H 1 8.197 0.001 . 1 . 2099 . . 323 ALA H . 25197 1 1251 . 1 1 323 323 ALA C C 13 179.835 0.01 . 1 . 1219 . . 323 ALA C . 25197 1 1252 . 1 1 323 323 ALA CA C 13 54.503 0.019 . 1 . 1220 . . 323 ALA CA . 25197 1 1253 . 1 1 323 323 ALA N N 15 124.530 0.041 . 1 . 2098 . . 323 ALA N . 25197 1 1254 . 1 1 324 324 ALA H H 1 8.472 0.001 . 1 . 1904 . . 324 ALA H . 25197 1 1255 . 1 1 324 324 ALA C C 13 179.604 0.019 . 1 . 1221 . . 324 ALA C . 25197 1 1256 . 1 1 324 324 ALA CA C 13 55.402 0.01 . 1 . 1222 . . 324 ALA CA . 25197 1 1257 . 1 1 324 324 ALA N N 15 119.470 0.051 . 1 . 1903 . . 324 ALA N . 25197 1 1258 . 1 1 325 325 GLN H H 1 8.158 0.001 . 1 . 2071 . . 325 GLN H . 25197 1 1259 . 1 1 325 325 GLN C C 13 180.647 0.001 . 1 . 1224 . . 325 GLN C . 25197 1 1260 . 1 1 325 325 GLN CA C 13 59.286 0.016 . 1 . 1223 . . 325 GLN CA . 25197 1 1261 . 1 1 325 325 GLN N N 15 118.411 0.047 . 1 . 2070 . . 325 GLN N . 25197 1 1262 . 1 1 326 326 GLY H H 1 7.884 0.001 . 1 . 2006 . . 326 GLY H . 25197 1 1263 . 1 1 326 326 GLY C C 13 174.812 0.001 . 1 . 1217 . . 326 GLY C . 25197 1 1264 . 1 1 326 326 GLY CA C 13 46.562 0.004 . 1 . 1225 . . 326 GLY CA . 25197 1 1265 . 1 1 326 326 GLY N N 15 106.766 0.033 . 1 . 2005 . . 326 GLY N . 25197 1 1266 . 1 1 327 327 LEU H H 1 7.484 0.001 . 1 . 1968 . . 327 LEU H . 25197 1 1267 . 1 1 327 327 LEU C C 13 176.902 0.016 . 1 . 1218 . . 327 LEU C . 25197 1 1268 . 1 1 327 327 LEU CA C 13 54.422 0.033 . 1 . 1228 . . 327 LEU CA . 25197 1 1269 . 1 1 327 327 LEU N N 15 120.076 0.039 . 1 . 1967 . . 327 LEU N . 25197 1 1270 . 1 1 328 328 GLY H H 1 7.762 0.002 . 1 . 2040 . . 328 GLY H . 25197 1 1271 . 1 1 328 328 GLY C C 13 174.105 0.001 . 1 . 1230 . . 328 GLY C . 25197 1 1272 . 1 1 328 328 GLY CA C 13 45.911 0.0 . 1 . 1229 . . 328 GLY CA . 25197 1 1273 . 1 1 328 328 GLY N N 15 107.522 0.045 . 1 . 2039 . . 328 GLY N . 25197 1 1274 . 1 1 329 329 ILE H H 1 7.943 0.003 . 1 . 2075 . . 329 ILE H . 25197 1 1275 . 1 1 329 329 ILE C C 13 174.581 0.008 . 1 . 1227 . . 329 ILE C . 25197 1 1276 . 1 1 329 329 ILE CA C 13 60.726 0.029 . 1 . 1226 . . 329 ILE CA . 25197 1 1277 . 1 1 329 329 ILE N N 15 122.371 0.046 . 1 . 2074 . . 329 ILE N . 25197 1 1278 . 1 1 330 330 ASN H H 1 8.397 0.001 . 1 . 2095 . . 330 ASN H . 25197 1 1279 . 1 1 330 330 ASN C C 13 174.508 0.005 . 1 . 1231 . . 330 ASN C . 25197 1 1280 . 1 1 330 330 ASN CA C 13 53.794 0.008 . 1 . 1391 . . 330 ASN CA . 25197 1 1281 . 1 1 330 330 ASN N N 15 124.812 0.035 . 1 . 2094 . . 330 ASN N . 25197 1 1282 . 1 1 331 331 VAL H H 1 7.949 0.001 . 1 . 1934 . . 331 VAL H . 25197 1 1283 . 1 1 331 331 VAL C C 13 174.767 0.018 . 1 . 1232 . . 331 VAL C . 25197 1 1284 . 1 1 331 331 VAL CA C 13 61.062 0.025 . 1 . 1233 . . 331 VAL CA . 25197 1 1285 . 1 1 331 331 VAL N N 15 122.778 0.074 . 1 . 1933 . . 331 VAL N . 25197 1 1286 . 1 1 332 332 ASP H H 1 8.581 0.001 . 1 . 2189 . . 332 ASP H . 25197 1 1287 . 1 1 332 332 ASP C C 13 177.196 0.003 . 1 . 1234 . . 332 ASP C . 25197 1 1288 . 1 1 332 332 ASP CA C 13 54.161 0.009 . 1 . 1235 . . 332 ASP CA . 25197 1 1289 . 1 1 332 332 ASP N N 15 126.168 0.053 . 1 . 2188 . . 332 ASP N . 25197 1 1290 . 1 1 333 333 SER H H 1 8.854 0.003 . 1 . 2199 . . 333 SER H . 25197 1 1291 . 1 1 333 333 SER C C 13 176.770 . . 1 . 1418 . . 333 SER C . 25197 1 1292 . 1 1 333 333 SER CA C 13 61.282 0.009 . 1 . 1237 . . 333 SER CA . 25197 1 1293 . 1 1 333 333 SER N N 15 121.840 0.053 . 1 . 2198 . . 333 SER N . 25197 1 1294 . 1 1 334 334 GLY H H 1 8.689 0.001 . 1 . 1920 . . 334 GLY H . 25197 1 1295 . 1 1 334 334 GLY C C 13 176.426 0.002 . 1 . 1238 . . 334 GLY C . 25197 1 1296 . 1 1 334 334 GLY CA C 13 46.588 0.008 . 1 . 1236 . . 334 GLY CA . 25197 1 1297 . 1 1 334 334 GLY N N 15 111.228 0.037 . 1 . 1919 . . 334 GLY N . 25197 1 1298 . 1 1 335 335 SER H H 1 7.879 0.001 . 1 . 1972 . . 335 SER H . 25197 1 1299 . 1 1 335 335 SER C C 13 175.269 . . 1 . 1417 . . 335 SER C . 25197 1 1300 . 1 1 335 335 SER CA C 13 61.086 0.002 . 1 . 1241 . . 335 SER CA . 25197 1 1301 . 1 1 335 335 SER N N 15 118.372 0.053 . 1 . 1971 . . 335 SER N . 25197 1 1302 . 1 1 336 336 VAL H H 1 7.616 0.001 . 1 . 2008 . . 336 VAL H . 25197 1 1303 . 1 1 336 336 VAL C C 13 177.846 0.013 . 1 . 1242 . . 336 VAL C . 25197 1 1304 . 1 1 336 336 VAL CA C 13 66.557 0.004 . 1 . 1239 . . 336 VAL CA . 25197 1 1305 . 1 1 336 336 VAL N N 15 122.153 0.051 . 1 . 2007 . . 336 VAL N . 25197 1 1306 . 1 1 337 337 GLN H H 1 7.980 0.003 . 1 . 2149 . . 337 GLN H . 25197 1 1307 . 1 1 337 337 GLN C C 13 179.060 0.003 . 1 . 1243 . . 337 GLN C . 25197 1 1308 . 1 1 337 337 GLN CA C 13 58.947 0.02 . 1 . 1244 . . 337 GLN CA . 25197 1 1309 . 1 1 337 337 GLN N N 15 117.651 0.07 . 1 . 2148 . . 337 GLN N . 25197 1 1310 . 1 1 338 338 SER H H 1 8.044 0.001 . 1 . 1964 . . 338 SER H . 25197 1 1311 . 1 1 338 338 SER C C 13 179.069 . . 1 . 1248 . . 338 SER C . 25197 1 1312 . 1 1 338 338 SER CA C 13 61.389 0.042 . 1 . 1245 . . 338 SER CA . 25197 1 1313 . 1 1 338 338 SER N N 15 115.811 0.066 . 1 . 1963 . . 338 SER N . 25197 1 1314 . 1 1 339 339 ASP H H 1 8.480 0.002 . 1 . 2081 . . 339 ASP H . 25197 1 1315 . 1 1 339 339 ASP C C 13 179.061 0.002 . 1 . 1249 . . 339 ASP C . 25197 1 1316 . 1 1 339 339 ASP CA C 13 56.636 0.006 . 1 . 1251 . . 339 ASP CA . 25197 1 1317 . 1 1 339 339 ASP N N 15 123.438 0.084 . 1 . 2080 . . 339 ASP N . 25197 1 1318 . 1 1 340 340 ILE H H 1 8.521 0.003 . 1 . 1924 . . 340 ILE H . 25197 1 1319 . 1 1 340 340 ILE C C 13 178.361 0.099 . 1 . 1250 . . 340 ILE C . 25197 1 1320 . 1 1 340 340 ILE CA C 13 65.668 0.007 . 1 . 1246 . . 340 ILE CA . 25197 1 1321 . 1 1 340 340 ILE N N 15 122.910 0.077 . 1 . 1923 . . 340 ILE N . 25197 1 1322 . 1 1 341 341 SER H H 1 8.042 0.002 . 1 . 2093 . . 341 SER H . 25197 1 1323 . 1 1 341 341 SER C C 13 177.010 . . 1 . 1252 . . 341 SER C . 25197 1 1324 . 1 1 341 341 SER CA C 13 61.462 0.02 . 1 . 1247 . . 341 SER CA . 25197 1 1325 . 1 1 341 341 SER N N 15 116.481 0.023 . 1 . 2092 . . 341 SER N . 25197 1 1326 . 1 1 342 342 SER H H 1 8.612 0.001 . 1 . 2191 . . 342 SER H . 25197 1 1327 . 1 1 342 342 SER C C 13 176.937 . . 1 . 1253 . . 342 SER C . 25197 1 1328 . 1 1 342 342 SER CA C 13 61.047 0.025 . 1 . 1254 . . 342 SER CA . 25197 1 1329 . 1 1 342 342 SER N N 15 117.381 0.038 . 1 . 2190 . . 342 SER N . 25197 1 1330 . 1 1 343 343 SER H H 1 8.465 0.001 . 1 . 2159 . . 343 SER H . 25197 1 1331 . 1 1 343 343 SER C C 13 177.316 . . 1 . 1416 . . 343 SER C . 25197 1 1332 . 1 1 343 343 SER CA C 13 61.900 0.049 . 1 . 1255 . . 343 SER CA . 25197 1 1333 . 1 1 343 343 SER N N 15 119.264 0.052 . 1 . 2158 . . 343 SER N . 25197 1 1334 . 1 1 344 344 SER H H 1 8.390 0.001 . 1 . 1966 . . 344 SER H . 25197 1 1335 . 1 1 344 344 SER C C 13 176.621 . . 1 . 1263 . . 344 SER C . 25197 1 1336 . 1 1 344 344 SER CA C 13 61.746 0.011 . 1 . 1256 . . 344 SER CA . 25197 1 1337 . 1 1 344 344 SER N N 15 115.276 0.061 . 1 . 1965 . . 344 SER N . 25197 1 1338 . 1 1 345 345 SER H H 1 7.974 0.004 . 1 . 2069 . . 345 SER H . 25197 1 1339 . 1 1 345 345 SER C C 13 176.219 . . 1 . 1264 . . 345 SER C . 25197 1 1340 . 1 1 345 345 SER CA C 13 60.783 0.024 . 1 . 1257 . . 345 SER CA . 25197 1 1341 . 1 1 345 345 SER N N 15 117.596 0.051 . 1 . 2068 . . 345 SER N . 25197 1 1342 . 1 1 346 346 PHE H H 1 8.136 0.001 . 1 . 2024 . . 346 PHE H . 25197 1 1343 . 1 1 346 346 PHE C C 13 177.430 0.017 . 1 . 1259 . . 346 PHE C . 25197 1 1344 . 1 1 346 346 PHE CA C 13 60.310 0.043 . 1 . 1258 . . 346 PHE CA . 25197 1 1345 . 1 1 346 346 PHE N N 15 121.789 0.064 . 1 . 2023 . . 346 PHE N . 25197 1 1346 . 1 1 347 347 LEU H H 1 8.013 0.001 . 1 . 2087 . . 347 LEU H . 25197 1 1347 . 1 1 347 347 LEU C C 13 177.684 0.025 . 1 . 1260 . . 347 LEU C . 25197 1 1348 . 1 1 347 347 LEU CA C 13 56.614 0.015 . 1 . 1261 . . 347 LEU CA . 25197 1 1349 . 1 1 347 347 LEU N N 15 119.239 0.053 . 1 . 2086 . . 347 LEU N . 25197 1 1350 . 1 1 348 348 SER H H 1 7.870 0.0 . 1 . 1993 . . 348 SER H . 25197 1 1351 . 1 1 348 348 SER C C 13 175.584 0.018 . 1 . 1992 . . 348 SER C . 25197 1 1352 . 1 1 348 348 SER CA C 13 59.599 0.005 . 1 . 1994 . . 348 SER CA . 25197 1 1353 . 1 1 348 348 SER N N 15 113.787 0.034 . 1 . 1991 . . 348 SER N . 25197 1 1354 . 1 1 349 349 THR H H 1 8.110 0.001 . 1 . 2010 . . 349 THR H . 25197 1 1355 . 1 1 349 349 THR C C 13 175.081 0.027 . 1 . 1265 . . 349 THR C . 25197 1 1356 . 1 1 349 349 THR CA C 13 62.844 0.021 . 1 . 1262 . . 349 THR CA . 25197 1 1357 . 1 1 349 349 THR N N 15 115.003 0.06 . 1 . 2009 . . 349 THR N . 25197 1 1358 . 1 1 350 350 SER H H 1 8.091 0.002 . 1 . 2000 . . 350 SER H . 25197 1 1359 . 1 1 350 350 SER CA C 13 58.099 . . 1 . 1415 . . 350 SER CA . 25197 1 1360 . 1 1 350 350 SER N N 15 117.090 0.059 . 1 . 1999 . . 350 SER N . 25197 1 1361 . 1 1 352 352 SER C C 13 174.776 . . 1 . 2245 . . 352 SER C . 25197 1 1362 . 1 1 352 352 SER CA C 13 58.651 0.004 . 1 . 1408 . . 352 SER CA . 25197 1 1363 . 1 1 353 353 SER H H 1 8.211 0.002 . 1 . 1908 . . 353 SER H . 25197 1 1364 . 1 1 353 353 SER C C 13 174.471 0.007 . 1 . 1406 . . 353 SER C . 25197 1 1365 . 1 1 353 353 SER CA C 13 58.634 0.021 . 1 . 1330 . . 353 SER CA . 25197 1 1366 . 1 1 353 353 SER N N 15 117.514 0.055 . 1 . 1907 . . 353 SER N . 25197 1 1367 . 1 1 354 354 ALA H H 1 8.182 0.0 . 1 . 1974 . . 354 ALA H . 25197 1 1368 . 1 1 354 354 ALA C C 13 177.776 0.0 . 1 . 1405 . . 354 ALA C . 25197 1 1369 . 1 1 354 354 ALA CA C 13 52.842 0.008 . 1 . 1404 . . 354 ALA CA . 25197 1 1370 . 1 1 354 354 ALA N N 15 125.768 0.06 . 1 . 1973 . . 354 ALA N . 25197 1 1371 . 1 1 355 355 SER H H 1 8.079 0.001 . 1 . 2135 . . 355 SER H . 25197 1 1372 . 1 1 355 355 SER C C 13 174.342 0.01 . 1 . 1410 . . 355 SER C . 25197 1 1373 . 1 1 355 355 SER CA C 13 58.533 0.015 . 1 . 1409 . . 355 SER CA . 25197 1 1374 . 1 1 355 355 SER N N 15 114.352 0.042 . 1 . 2134 . . 355 SER N . 25197 1 1375 . 1 1 356 356 TYR H H 1 7.998 0.0 . 1 . 2052 . . 356 TYR H . 25197 1 1376 . 1 1 356 356 TYR C C 13 175.856 0.029 . 1 . 1412 . . 356 TYR C . 25197 1 1377 . 1 1 356 356 TYR CA C 13 58.059 . . 1 . 1411 . . 356 TYR CA . 25197 1 1378 . 1 1 356 356 TYR N N 15 121.756 0.052 . 1 . 2051 . . 356 TYR N . 25197 1 1379 . 1 1 358 358 GLN H H 1 8.256 0.001 . 1 . 2119 . . 358 GLN H . 25197 1 1380 . 1 1 358 358 GLN C C 13 175.859 0.005 . 1 . 1267 . . 358 GLN C . 25197 1 1381 . 1 1 358 358 GLN CA C 13 56.079 0.012 . 1 . 1266 . . 358 GLN CA . 25197 1 1382 . 1 1 358 358 GLN N N 15 122.321 0.039 . 1 . 2118 . . 358 GLN N . 25197 1 1383 . 1 1 359 359 ALA H H 1 8.234 0.0 . 1 . 2032 . . 359 ALA H . 25197 1 1384 . 1 1 359 359 ALA C C 13 177.885 0.002 . 1 . 1268 . . 359 ALA C . 25197 1 1385 . 1 1 359 359 ALA CA C 13 52.857 0.006 . 1 . 1269 . . 359 ALA CA . 25197 1 1386 . 1 1 359 359 ALA N N 15 124.823 0.043 . 1 . 2031 . . 359 ALA N . 25197 1 1387 . 1 1 360 360 SER H H 1 8.166 0.001 . 1 . 1916 . . 360 SER H . 25197 1 1388 . 1 1 360 360 SER C C 13 174.515 0.003 . 1 . 1270 . . 360 SER C . 25197 1 1389 . 1 1 360 360 SER CA C 13 58.357 0.012 . 1 . 1271 . . 360 SER CA . 25197 1 1390 . 1 1 360 360 SER N N 15 114.696 0.059 . 1 . 1915 . . 360 SER N . 25197 1 1391 . 1 1 361 361 ALA H H 1 8.252 0.0 . 1 . 2083 . . 361 ALA H . 25197 1 1392 . 1 1 361 361 ALA C C 13 177.819 0.001 . 1 . 1273 . . 361 ALA C . 25197 1 1393 . 1 1 361 361 ALA CA C 13 52.803 0.003 . 1 . 1272 . . 361 ALA CA . 25197 1 1394 . 1 1 361 361 ALA N N 15 125.858 0.056 . 1 . 2082 . . 361 ALA N . 25197 1 1395 . 1 1 362 362 SER H H 1 8.200 0.0 . 1 . 1914 . . 362 SER H . 25197 1 1396 . 1 1 362 362 SER C C 13 174.806 0.014 . 1 . 1274 . . 362 SER C . 25197 1 1397 . 1 1 362 362 SER CA C 13 58.456 0.029 . 1 . 1275 . . 362 SER CA . 25197 1 1398 . 1 1 362 362 SER N N 15 114.373 0.041 . 1 . 1913 . . 362 SER N . 25197 1 1399 . 1 1 363 363 SER H H 1 8.273 0.001 . 1 . 1930 . . 363 SER H . 25197 1 1400 . 1 1 363 363 SER C C 13 174.948 0.04 . 1 . 1277 . . 363 SER C . 25197 1 1401 . 1 1 363 363 SER CA C 13 58.581 0.011 . 1 . 1276 . . 363 SER CA . 25197 1 1402 . 1 1 363 363 SER N N 15 117.538 0.037 . 1 . 1929 . . 363 SER N . 25197 1 1403 . 1 1 364 364 THR H H 1 8.138 0.002 . 1 . 2141 . . 364 THR H . 25197 1 1404 . 1 1 364 364 THR C C 13 174.730 0.003 . 1 . 1279 . . 364 THR C . 25197 1 1405 . 1 1 364 364 THR CA C 13 61.885 0.009 . 1 . 1278 . . 364 THR CA . 25197 1 1406 . 1 1 364 364 THR N N 15 114.961 0.068 . 1 . 2140 . . 364 THR N . 25197 1 1407 . 1 1 365 365 SER H H 1 8.188 0.001 . 1 . 1876 . . 365 SER H . 25197 1 1408 . 1 1 365 365 SER C C 13 174.893 0.063 . 1 . 1284 . . 365 SER C . 25197 1 1409 . 1 1 365 365 SER CA C 13 58.625 0.011 . 1 . 1280 . . 365 SER CA . 25197 1 1410 . 1 1 365 365 SER N N 15 117.542 0.048 . 1 . 1875 . . 365 SER N . 25197 1 1411 . 1 1 366 366 GLY H H 1 8.339 0.002 . 1 . 1890 . . 366 GLY H . 25197 1 1412 . 1 1 366 366 GLY C C 13 173.905 0.001 . 1 . 1283 . . 366 GLY C . 25197 1 1413 . 1 1 366 366 GLY CA C 13 45.329 0.008 . 1 . 1281 . . 366 GLY CA . 25197 1 1414 . 1 1 366 366 GLY N N 15 110.811 0.026 . 1 . 1889 . . 366 GLY N . 25197 1 1415 . 1 1 367 367 ALA H H 1 8.141 0.0 . 1 . 1878 . . 367 ALA H . 25197 1 1416 . 1 1 367 367 ALA C C 13 178.127 0.001 . 1 . 1285 . . 367 ALA C . 25197 1 1417 . 1 1 367 367 ALA CA C 13 52.679 0.008 . 1 . 1282 . . 367 ALA CA . 25197 1 1418 . 1 1 367 367 ALA N N 15 123.640 0.051 . 1 . 1877 . . 367 ALA N . 25197 1 1419 . 1 1 368 368 GLY H H 1 8.314 0.001 . 1 . 1970 . . 368 GLY H . 25197 1 1420 . 1 1 368 368 GLY C C 13 173.682 0.001 . 1 . 1291 . . 368 GLY C . 25197 1 1421 . 1 1 368 368 GLY CA C 13 45.164 0.027 . 1 . 1288 . . 368 GLY CA . 25197 1 1422 . 1 1 368 368 GLY N N 15 107.815 0.046 . 1 . 1969 . . 368 GLY N . 25197 1 1423 . 1 1 369 369 TYR H H 1 8.025 0.0 . 1 . 2085 . . 369 TYR H . 25197 1 1424 . 1 1 369 369 TYR C C 13 176.057 0.005 . 1 . 1292 . . 369 TYR C . 25197 1 1425 . 1 1 369 369 TYR CA C 13 58.118 0.049 . 1 . 1289 . . 369 TYR CA . 25197 1 1426 . 1 1 369 369 TYR N N 15 120.614 0.037 . 1 . 2084 . . 369 TYR N . 25197 1 1427 . 1 1 370 370 THR H H 1 8.079 0.005 . 1 . 1956 . . 370 THR H . 25197 1 1428 . 1 1 370 370 THR C C 13 174.134 0.003 . 1 . 1294 . . 370 THR C . 25197 1 1429 . 1 1 370 370 THR CA C 13 61.328 0.003 . 1 . 1293 . . 370 THR CA . 25197 1 1430 . 1 1 370 370 THR N N 15 117.153 0.052 . 1 . 1955 . . 370 THR N . 25197 1 1431 . 1 1 371 371 GLY H H 1 7.270 0.0 . 1 . 2079 . . 371 GLY H . 25197 1 1432 . 1 1 371 371 GLY C C 13 171.482 . . 1 . 1287 . . 371 GLY C . 25197 1 1433 . 1 1 371 371 GLY CA C 13 44.621 . . 1 . 1290 . . 371 GLY CA . 25197 1 1434 . 1 1 371 371 GLY N N 15 110.377 0.039 . 1 . 2078 . . 371 GLY N . 25197 1 1435 . 1 1 372 372 PRO C C 13 177.299 . . 1 . 1448 . . 372 PRO C . 25197 1 1436 . 1 1 372 372 PRO CA C 13 63.428 . . 1 . 1449 . . 372 PRO CA . 25197 1 1437 . 1 1 373 373 SER H H 1 8.408 0.0 . 1 . 2217 . . 373 SER H . 25197 1 1438 . 1 1 373 373 SER C C 13 174.495 0.001 . 1 . 1446 . . 373 SER C . 25197 1 1439 . 1 1 373 373 SER CA C 13 58.323 0.051 . 1 . 1447 . . 373 SER CA . 25197 1 1440 . 1 1 373 373 SER N N 15 115.932 0.033 . 1 . 2216 . . 373 SER N . 25197 1 1441 . 1 1 374 374 GLY H H 1 8.122 0.001 . 1 . 2227 . . 374 GLY H . 25197 1 1442 . 1 1 374 374 GLY C C 13 171.683 . . 1 . 1445 . . 374 GLY C . 25197 1 1443 . 1 1 374 374 GLY CA C 13 44.637 . . 1 . 1444 . . 374 GLY CA . 25197 1 1444 . 1 1 374 374 GLY N N 15 110.433 0.039 . 1 . 2226 . . 374 GLY N . 25197 1 1445 . 1 1 375 375 PRO C C 13 177.239 . . 1 . 1454 . . 375 PRO C . 25197 1 1446 . 1 1 375 375 PRO CA C 13 63.294 . . 1 . 1456 . . 375 PRO CA . 25197 1 1447 . 1 1 376 376 SER H H 1 8.452 0.001 . 1 . 2179 . . 376 SER H . 25197 1 1448 . 1 1 376 376 SER C C 13 174.837 0.003 . 1 . 1452 . . 376 SER C . 25197 1 1449 . 1 1 376 376 SER CA C 13 58.402 0.006 . 1 . 1453 . . 376 SER CA . 25197 1 1450 . 1 1 376 376 SER N N 15 116.024 0.049 . 1 . 2178 . . 376 SER N . 25197 1 1451 . 1 1 377 377 THR H H 1 8.079 0.002 . 1 . 2197 . . 377 THR H . 25197 1 1452 . 1 1 377 377 THR C C 13 174.668 0.001 . 1 . 1381 . . 377 THR C . 25197 1 1453 . 1 1 377 377 THR CA C 13 61.665 0.003 . 1 . 1382 . . 377 THR CA . 25197 1 1454 . 1 1 377 377 THR N N 15 114.777 0.022 . 1 . 2196 . . 377 THR N . 25197 1 1455 . 1 1 378 378 GLY H H 1 8.156 0.0 . 1 . 2117 . . 378 GLY H . 25197 1 1456 . 1 1 378 378 GLY C C 13 171.904 . . 1 . 1451 . . 378 GLY C . 25197 1 1457 . 1 1 378 378 GLY CA C 13 44.646 . . 1 . 1455 . . 378 GLY CA . 25197 1 1458 . 1 1 378 378 GLY N N 15 110.796 0.037 . 1 . 2116 . . 378 GLY N . 25197 1 1459 . 1 1 379 379 PRO C C 13 177.320 . . 1 . 1485 . . 379 PRO C . 25197 1 1460 . 1 1 379 379 PRO CA C 13 63.468 . . 1 . 1483 . . 379 PRO CA . 25197 1 1461 . 1 1 380 380 SER H H 1 8.394 0.001 . 1 . 2044 . . 380 SER H . 25197 1 1462 . 1 1 380 380 SER C C 13 174.943 0.031 . 1 . 1484 . . 380 SER C . 25197 1 1463 . 1 1 380 380 SER CA C 13 58.573 0.01 . 1 . 1482 . . 380 SER CA . 25197 1 1464 . 1 1 380 380 SER N N 15 115.750 0.083 . 1 . 2043 . . 380 SER N . 25197 1 1465 . 1 1 381 381 GLY H H 1 8.271 0.001 . 1 . 2143 . . 381 GLY H . 25197 1 1466 . 1 1 381 381 GLY C C 13 172.638 0.003 . 1 . 1487 . . 381 GLY C . 25197 1 1467 . 1 1 381 381 GLY CA C 13 45.152 0.023 . 1 . 1486 . . 381 GLY CA . 25197 1 1468 . 1 1 381 381 GLY N N 15 110.433 0.039 . 1 . 2142 . . 381 GLY N . 25197 1 1469 . 1 1 382 382 TYR H H 1 7.972 0.001 . 1 . 2187 . . 382 TYR H . 25197 1 1470 . 1 1 382 382 TYR C C 13 174.478 . . 1 . 1488 . . 382 TYR C . 25197 1 1471 . 1 1 382 382 TYR CA C 13 55.837 . . 1 . 1489 . . 382 TYR CA . 25197 1 1472 . 1 1 382 382 TYR N N 15 121.109 0.053 . 1 . 2186 . . 382 TYR N . 25197 1 1473 . 1 1 383 383 PRO C C 13 176.795 . . 1 . 1471 . . 383 PRO C . 25197 1 1474 . 1 1 383 383 PRO CA C 13 63.374 . . 1 . 1462 . . 383 PRO CA . 25197 1 1475 . 1 1 384 384 GLY H H 1 7.512 0.001 . 1 . 1944 . . 384 GLY H . 25197 1 1476 . 1 1 384 384 GLY C C 13 171.744 . . 1 . 1436 . . 384 GLY C . 25197 1 1477 . 1 1 384 384 GLY CA C 13 44.561 . . 1 . 1435 . . 384 GLY CA . 25197 1 1478 . 1 1 384 384 GLY N N 15 108.234 0.033 . 1 . 1943 . . 384 GLY N . 25197 1 1479 . 1 1 385 385 PRO C C 13 177.433 . . 1 . 1472 . . 385 PRO C . 25197 1 1480 . 1 1 385 385 PRO CA C 13 63.334 0.014 . 1 . 1473 . . 385 PRO CA . 25197 1 1481 . 1 1 386 386 LEU H H 1 8.373 0.001 . 1 . 2181 . . 386 LEU H . 25197 1 1482 . 1 1 386 386 LEU C C 13 178.126 0.007 . 1 . 1295 . . 386 LEU C . 25197 1 1483 . 1 1 386 386 LEU CA C 13 55.398 0.008 . 1 . 1297 . . 386 LEU CA . 25197 1 1484 . 1 1 386 386 LEU N N 15 121.817 0.06 . 1 . 2180 . . 386 LEU N . 25197 1 1485 . 1 1 387 387 GLY H H 1 8.307 0.002 . 1 . 1932 . . 387 GLY H . 25197 1 1486 . 1 1 387 387 GLY C C 13 174.724 0.017 . 1 . 1296 . . 387 GLY C . 25197 1 1487 . 1 1 387 387 GLY CA C 13 45.437 0.072 . 1 . 1300 . . 387 GLY CA . 25197 1 1488 . 1 1 387 387 GLY N N 15 109.500 0.074 . 1 . 1931 . . 387 GLY N . 25197 1 1489 . 1 1 388 388 GLY H H 1 8.262 0.001 . 1 . 1984 . . 388 GLY H . 25197 1 1490 . 1 1 388 388 GLY C C 13 174.607 0.026 . 1 . 1298 . . 388 GLY C . 25197 1 1491 . 1 1 388 388 GLY CA C 13 45.411 0.04 . 1 . 1301 . . 388 GLY CA . 25197 1 1492 . 1 1 388 388 GLY N N 15 108.654 0.061 . 1 . 1983 . . 388 GLY N . 25197 1 1493 . 1 1 389 389 GLY H H 1 8.205 0.005 . 1 . 1894 . . 389 GLY H . 25197 1 1494 . 1 1 389 389 GLY C C 13 173.351 0.004 . 1 . 1299 . . 389 GLY C . 25197 1 1495 . 1 1 389 389 GLY CA C 13 44.928 0.032 . 1 . 1302 . . 389 GLY CA . 25197 1 1496 . 1 1 389 389 GLY N N 15 108.417 0.035 . 1 . 1893 . . 389 GLY N . 25197 1 1497 . 1 1 390 390 ALA H H 1 8.071 0.0 . 1 . 2133 . . 390 ALA H . 25197 1 1498 . 1 1 390 390 ALA C C 13 175.691 . . 1 . 1304 . . 390 ALA C . 25197 1 1499 . 1 1 390 390 ALA CA C 13 50.539 . . 1 . 1303 . . 390 ALA CA . 25197 1 1500 . 1 1 390 390 ALA N N 15 124.588 0.042 . 1 . 2132 . . 390 ALA N . 25197 1 1501 . 1 1 391 391 PRO C C 13 176.573 . . 1 . 1321 . . 391 PRO C . 25197 1 1502 . 1 1 391 391 PRO CA C 13 63.258 . . 1 . 1328 . . 391 PRO CA . 25197 1 1503 . 1 1 392 392 PHE H H 1 8.150 0.003 . 1 . 2034 . . 392 PHE H . 25197 1 1504 . 1 1 392 392 PHE C C 13 176.374 . . 1 . 1305 . . 392 PHE C . 25197 1 1505 . 1 1 392 392 PHE CA C 13 57.910 0.019 . 1 . 1309 . . 392 PHE CA . 25197 1 1506 . 1 1 392 392 PHE N N 15 119.671 0.055 . 1 . 2033 . . 392 PHE N . 25197 1 1507 . 1 1 393 393 GLY H H 1 8.188 0.0 . 1 . 2111 . . 393 GLY H . 25197 1 1508 . 1 1 393 393 GLY C C 13 174.040 0.004 . 1 . 1306 . . 393 GLY C . 25197 1 1509 . 1 1 393 393 GLY CA C 13 45.338 0.028 . 1 . 1310 . . 393 GLY CA . 25197 1 1510 . 1 1 393 393 GLY N N 15 110.603 0.048 . 1 . 2110 . . 393 GLY N . 25197 1 1511 . 1 1 394 394 GLN H H 1 8.107 0.002 . 1 . 2020 . . 394 GLN H . 25197 1 1512 . 1 1 394 394 GLN C C 13 176.084 0.0 . 1 . 1307 . . 394 GLN C . 25197 1 1513 . 1 1 394 394 GLN CA C 13 55.805 0.012 . 1 . 1311 . . 394 GLN CA . 25197 1 1514 . 1 1 394 394 GLN N N 15 119.714 0.054 . 1 . 2019 . . 394 GLN N . 25197 1 1515 . 1 1 395 395 SER H H 1 8.384 0.001 . 1 . 2171 . . 395 SER H . 25197 1 1516 . 1 1 395 395 SER C C 13 174.857 0.006 . 1 . 1308 . . 395 SER C . 25197 1 1517 . 1 1 395 395 SER CA C 13 58.644 0.008 . 1 . 1312 . . 395 SER CA . 25197 1 1518 . 1 1 395 395 SER N N 15 116.835 0.057 . 1 . 2170 . . 395 SER N . 25197 1 1519 . 1 1 396 396 GLY H H 1 8.306 0.0 . 1 . 1874 . . 396 GLY H . 25197 1 1520 . 1 1 396 396 GLY C C 13 173.821 0.005 . 1 . 1315 . . 396 GLY C . 25197 1 1521 . 1 1 396 396 GLY CA C 13 45.285 0.052 . 1 . 1314 . . 396 GLY CA . 25197 1 1522 . 1 1 396 396 GLY N N 15 110.440 0.088 . 1 . 1873 . . 396 GLY N . 25197 1 1523 . 1 1 397 397 PHE H H 1 8.126 0.004 . 1 . 1950 . . 397 PHE H . 25197 1 1524 . 1 1 397 397 PHE C C 13 176.160 0.008 . 1 . 1316 . . 397 PHE C . 25197 1 1525 . 1 1 397 397 PHE CA C 13 57.923 0.006 . 1 . 1313 . . 397 PHE CA . 25197 1 1526 . 1 1 397 397 PHE N N 15 119.966 0.085 . 1 . 1949 . . 397 PHE N . 25197 1 1527 . 1 1 398 398 GLY H H 1 8.349 0.001 . 1 . 2229 . . 398 GLY H . 25197 1 1528 . 1 1 398 398 GLY C C 13 173.482 0.002 . 1 . 1317 . . 398 GLY C . 25197 1 1529 . 1 1 398 398 GLY CA C 13 45.329 . . 1 . 1318 . . 398 GLY CA . 25197 1 1530 . 1 1 398 398 GLY N N 15 111.617 0.039 . 1 . 2228 . . 398 GLY N . 25197 1 1531 . 1 1 399 399 GLY H H 1 7.474 0.001 . 1 . 2022 . . 399 GLY H . 25197 1 1532 . 1 1 399 399 GLY C C 13 169.317 . . 1 . 1320 . . 399 GLY C . 25197 1 1533 . 1 1 399 399 GLY CA C 13 45.948 . . 1 . 1319 . . 399 GLY CA . 25197 1 1534 . 1 1 399 399 GLY N N 15 114.620 0.058 . 1 . 2021 . . 399 GLY N . 25197 1 stop_ save_