data_52956 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52956 _Entry.Title ; Assembly and functional mechanisms of the Hsp70-Hsp40 chaperone machinery ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-03-09 _Entry.Accession_date 2025-03-09 _Entry.Last_release_date 2025-03-10 _Entry.Original_release_date 2025-03-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yajun Jiang . . . . 52956 2 Ziad Ibrahim . . . . 52956 3 Mary Clay . . . . 52956 4 Youlin Xia . . . . 52956 5 Babis Kalodimos . . . . 52956 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . "Kalodimod group, St Jude Children's Research Hospital" . 52956 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52956 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 357 52956 '1H chemical shifts' 357 52956 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 . . 2025-10-20 . original BMRB . 52956 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 52955 DnaJ 52956 BMRB 52957 K615MGGADP 52956 BMRB 52958 DnaKADP 52956 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52956 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41092901 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Mechanisms of assembly and function of the Hsp70-Hsp40 chaperone machinery ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Cell' _Citation.Journal_name_full . _Citation.Journal_volume . _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 . _Citation.Page_last . _Citation.Year 2025 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yajun Jiang Y. . . . 52956 1 2 Ziad Ibrahim Z. . . . 52956 1 3 Youlin Xia Y. . . . 52956 1 4 Mary Clay M. . . . 52956 1 5 Alexander Myasnikov A. . . . 52956 1 6 Kalyan Immadisetty K. . . . 52956 1 7 Zhilian Xia Z. . . . 52956 1 8 Liang Tang L. . . . 52956 1 9 Paolo Rossi P. . . . 52956 1 10 Pritha Ganguly P. . . . 52956 1 11 Jiangshu Liu J. . . . 52956 1 12 Darcie Miller D. . . . 52956 1 13 Meixia Che M. . . . 52956 1 14 Santiago Palacios S. M. . . 52956 1 15 Gunter Kramer G. . . . 52956 1 16 Bernd Bukau B. . . . 52956 1 17 Charalampos Kalodimos C. G. . . 52956 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52956 _Assembly.ID 1 _Assembly.Name DnaKNBD _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 no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 BaKNBD 1 $entity_1 . . yes native no no . . . 52956 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52956 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAKAVGIDLGTTNSVIAVLE GGKPVVLENAEGERVTPSVV AFRDGETLVGRMAKRQAVLN PEGTIFEIKRFIGRRFEEVQ EEAKRVPYKVVPGPDGGVRV EVKGKLYTPEEISAMILRKL VEDASKKLGEKITKAVITVP AYFNNAQREATANAGRIAGL EVLRIINEPTAAALAYGLDK KGNETVLVFDLGGGTFDVTI LEIGEGVFEVKATSGDTHLG GSDMDHAIVNWLAEEFKKEH GVDLKADRQALQRLIEAAEK AKIELSSTLETTISLPFIAL DPASKTPLHLEKKLTRAKFE ELIQPLLKRLRGPVEQALKD AGLTPAQIDEVILVGGATRV PAVQQVVRELLGKEPNRSVN PDEVVAMGAAIQAGVLMGEV RD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 382 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 52956 1 2 . ALA . 52956 1 3 . LYS . 52956 1 4 . ALA . 52956 1 5 . VAL . 52956 1 6 . GLY . 52956 1 7 . ILE . 52956 1 8 . ASP . 52956 1 9 . LEU . 52956 1 10 . GLY . 52956 1 11 . THR . 52956 1 12 . THR . 52956 1 13 . ASN . 52956 1 14 . SER . 52956 1 15 . VAL . 52956 1 16 . ILE . 52956 1 17 . ALA . 52956 1 18 . VAL . 52956 1 19 . LEU . 52956 1 20 . GLU . 52956 1 21 . GLY . 52956 1 22 . GLY . 52956 1 23 . LYS . 52956 1 24 . PRO . 52956 1 25 . VAL . 52956 1 26 . VAL . 52956 1 27 . LEU . 52956 1 28 . GLU . 52956 1 29 . ASN . 52956 1 30 . ALA . 52956 1 31 . GLU . 52956 1 32 . GLY . 52956 1 33 . GLU . 52956 1 34 . ARG . 52956 1 35 . VAL . 52956 1 36 . THR . 52956 1 37 . PRO . 52956 1 38 . SER . 52956 1 39 . VAL . 52956 1 40 . VAL . 52956 1 41 . ALA . 52956 1 42 . PHE . 52956 1 43 . ARG . 52956 1 44 . ASP . 52956 1 45 . GLY . 52956 1 46 . GLU . 52956 1 47 . THR . 52956 1 48 . LEU . 52956 1 49 . VAL . 52956 1 50 . GLY . 52956 1 51 . ARG . 52956 1 52 . MET . 52956 1 53 . ALA . 52956 1 54 . LYS . 52956 1 55 . ARG . 52956 1 56 . GLN . 52956 1 57 . ALA . 52956 1 58 . VAL . 52956 1 59 . LEU . 52956 1 60 . ASN . 52956 1 61 . PRO . 52956 1 62 . GLU . 52956 1 63 . GLY . 52956 1 64 . THR . 52956 1 65 . ILE . 52956 1 66 . PHE . 52956 1 67 . GLU . 52956 1 68 . ILE . 52956 1 69 . LYS . 52956 1 70 . ARG . 52956 1 71 . PHE . 52956 1 72 . ILE . 52956 1 73 . GLY . 52956 1 74 . ARG . 52956 1 75 . ARG . 52956 1 76 . PHE . 52956 1 77 . GLU . 52956 1 78 . GLU . 52956 1 79 . VAL . 52956 1 80 . GLN . 52956 1 81 . GLU . 52956 1 82 . GLU . 52956 1 83 . ALA . 52956 1 84 . LYS . 52956 1 85 . ARG . 52956 1 86 . VAL . 52956 1 87 . PRO . 52956 1 88 . TYR . 52956 1 89 . LYS . 52956 1 90 . VAL . 52956 1 91 . VAL . 52956 1 92 . PRO . 52956 1 93 . GLY . 52956 1 94 . PRO . 52956 1 95 . ASP . 52956 1 96 . GLY . 52956 1 97 . GLY . 52956 1 98 . VAL . 52956 1 99 . ARG . 52956 1 100 . VAL . 52956 1 101 . GLU . 52956 1 102 . VAL . 52956 1 103 . LYS . 52956 1 104 . GLY . 52956 1 105 . LYS . 52956 1 106 . LEU . 52956 1 107 . TYR . 52956 1 108 . THR . 52956 1 109 . PRO . 52956 1 110 . GLU . 52956 1 111 . GLU . 52956 1 112 . ILE . 52956 1 113 . SER . 52956 1 114 . ALA . 52956 1 115 . MET . 52956 1 116 . ILE . 52956 1 117 . LEU . 52956 1 118 . ARG . 52956 1 119 . LYS . 52956 1 120 . LEU . 52956 1 121 . VAL . 52956 1 122 . GLU . 52956 1 123 . ASP . 52956 1 124 . ALA . 52956 1 125 . SER . 52956 1 126 . LYS . 52956 1 127 . LYS . 52956 1 128 . LEU . 52956 1 129 . GLY . 52956 1 130 . GLU . 52956 1 131 . LYS . 52956 1 132 . ILE . 52956 1 133 . THR . 52956 1 134 . LYS . 52956 1 135 . ALA . 52956 1 136 . VAL . 52956 1 137 . ILE . 52956 1 138 . THR . 52956 1 139 . VAL . 52956 1 140 . PRO . 52956 1 141 . ALA . 52956 1 142 . TYR . 52956 1 143 . PHE . 52956 1 144 . ASN . 52956 1 145 . ASN . 52956 1 146 . ALA . 52956 1 147 . GLN . 52956 1 148 . ARG . 52956 1 149 . GLU . 52956 1 150 . ALA . 52956 1 151 . THR . 52956 1 152 . ALA . 52956 1 153 . ASN . 52956 1 154 . ALA . 52956 1 155 . GLY . 52956 1 156 . ARG . 52956 1 157 . ILE . 52956 1 158 . ALA . 52956 1 159 . GLY . 52956 1 160 . LEU . 52956 1 161 . GLU . 52956 1 162 . VAL . 52956 1 163 . LEU . 52956 1 164 . ARG . 52956 1 165 . ILE . 52956 1 166 . ILE . 52956 1 167 . ASN . 52956 1 168 . GLU . 52956 1 169 . PRO . 52956 1 170 . THR . 52956 1 171 . ALA . 52956 1 172 . ALA . 52956 1 173 . ALA . 52956 1 174 . LEU . 52956 1 175 . ALA . 52956 1 176 . TYR . 52956 1 177 . GLY . 52956 1 178 . LEU . 52956 1 179 . ASP . 52956 1 180 . LYS . 52956 1 181 . LYS . 52956 1 182 . GLY . 52956 1 183 . ASN . 52956 1 184 . GLU . 52956 1 185 . THR . 52956 1 186 . VAL . 52956 1 187 . LEU . 52956 1 188 . VAL . 52956 1 189 . PHE . 52956 1 190 . ASP . 52956 1 191 . LEU . 52956 1 192 . GLY . 52956 1 193 . GLY . 52956 1 194 . GLY . 52956 1 195 . THR . 52956 1 196 . PHE . 52956 1 197 . ASP . 52956 1 198 . VAL . 52956 1 199 . THR . 52956 1 200 . ILE . 52956 1 201 . LEU . 52956 1 202 . GLU . 52956 1 203 . ILE . 52956 1 204 . GLY . 52956 1 205 . GLU . 52956 1 206 . GLY . 52956 1 207 . VAL . 52956 1 208 . PHE . 52956 1 209 . GLU . 52956 1 210 . VAL . 52956 1 211 . LYS . 52956 1 212 . ALA . 52956 1 213 . THR . 52956 1 214 . SER . 52956 1 215 . GLY . 52956 1 216 . ASP . 52956 1 217 . THR . 52956 1 218 . HIS . 52956 1 219 . LEU . 52956 1 220 . GLY . 52956 1 221 . GLY . 52956 1 222 . SER . 52956 1 223 . ASP . 52956 1 224 . MET . 52956 1 225 . ASP . 52956 1 226 . HIS . 52956 1 227 . ALA . 52956 1 228 . ILE . 52956 1 229 . VAL . 52956 1 230 . ASN . 52956 1 231 . TRP . 52956 1 232 . LEU . 52956 1 233 . ALA . 52956 1 234 . GLU . 52956 1 235 . GLU . 52956 1 236 . PHE . 52956 1 237 . LYS . 52956 1 238 . LYS . 52956 1 239 . GLU . 52956 1 240 . HIS . 52956 1 241 . GLY . 52956 1 242 . VAL . 52956 1 243 . ASP . 52956 1 244 . LEU . 52956 1 245 . LYS . 52956 1 246 . ALA . 52956 1 247 . ASP . 52956 1 248 . ARG . 52956 1 249 . GLN . 52956 1 250 . ALA . 52956 1 251 . LEU . 52956 1 252 . GLN . 52956 1 253 . ARG . 52956 1 254 . LEU . 52956 1 255 . ILE . 52956 1 256 . GLU . 52956 1 257 . ALA . 52956 1 258 . ALA . 52956 1 259 . GLU . 52956 1 260 . LYS . 52956 1 261 . ALA . 52956 1 262 . LYS . 52956 1 263 . ILE . 52956 1 264 . GLU . 52956 1 265 . LEU . 52956 1 266 . SER . 52956 1 267 . SER . 52956 1 268 . THR . 52956 1 269 . LEU . 52956 1 270 . GLU . 52956 1 271 . THR . 52956 1 272 . THR . 52956 1 273 . ILE . 52956 1 274 . SER . 52956 1 275 . LEU . 52956 1 276 . PRO . 52956 1 277 . PHE . 52956 1 278 . ILE . 52956 1 279 . ALA . 52956 1 280 . LEU . 52956 1 281 . ASP . 52956 1 282 . PRO . 52956 1 283 . ALA . 52956 1 284 . SER . 52956 1 285 . LYS . 52956 1 286 . THR . 52956 1 287 . PRO . 52956 1 288 . LEU . 52956 1 289 . HIS . 52956 1 290 . LEU . 52956 1 291 . GLU . 52956 1 292 . LYS . 52956 1 293 . LYS . 52956 1 294 . LEU . 52956 1 295 . THR . 52956 1 296 . ARG . 52956 1 297 . ALA . 52956 1 298 . LYS . 52956 1 299 . PHE . 52956 1 300 . GLU . 52956 1 301 . GLU . 52956 1 302 . LEU . 52956 1 303 . ILE . 52956 1 304 . GLN . 52956 1 305 . PRO . 52956 1 306 . LEU . 52956 1 307 . LEU . 52956 1 308 . LYS . 52956 1 309 . ARG . 52956 1 310 . LEU . 52956 1 311 . ARG . 52956 1 312 . GLY . 52956 1 313 . PRO . 52956 1 314 . VAL . 52956 1 315 . GLU . 52956 1 316 . GLN . 52956 1 317 . ALA . 52956 1 318 . LEU . 52956 1 319 . LYS . 52956 1 320 . ASP . 52956 1 321 . ALA . 52956 1 322 . GLY . 52956 1 323 . LEU . 52956 1 324 . THR . 52956 1 325 . PRO . 52956 1 326 . ALA . 52956 1 327 . GLN . 52956 1 328 . ILE . 52956 1 329 . ASP . 52956 1 330 . GLU . 52956 1 331 . VAL . 52956 1 332 . ILE . 52956 1 333 . LEU . 52956 1 334 . VAL . 52956 1 335 . GLY . 52956 1 336 . GLY . 52956 1 337 . ALA . 52956 1 338 . THR . 52956 1 339 . ARG . 52956 1 340 . VAL . 52956 1 341 . PRO . 52956 1 342 . ALA . 52956 1 343 . VAL . 52956 1 344 . GLN . 52956 1 345 . GLN . 52956 1 346 . VAL . 52956 1 347 . VAL . 52956 1 348 . ARG . 52956 1 349 . GLU . 52956 1 350 . LEU . 52956 1 351 . LEU . 52956 1 352 . GLY . 52956 1 353 . LYS . 52956 1 354 . GLU . 52956 1 355 . PRO . 52956 1 356 . ASN . 52956 1 357 . ARG . 52956 1 358 . SER . 52956 1 359 . VAL . 52956 1 360 . ASN . 52956 1 361 . PRO . 52956 1 362 . ASP . 52956 1 363 . GLU . 52956 1 364 . VAL . 52956 1 365 . VAL . 52956 1 366 . ALA . 52956 1 367 . MET . 52956 1 368 . GLY . 52956 1 369 . ALA . 52956 1 370 . ALA . 52956 1 371 . ILE . 52956 1 372 . GLN . 52956 1 373 . ALA . 52956 1 374 . GLY . 52956 1 375 . VAL . 52956 1 376 . LEU . 52956 1 377 . MET . 52956 1 378 . GLY . 52956 1 379 . GLU . 52956 1 380 . VAL . 52956 1 381 . ARG . 52956 1 382 . ASP . 52956 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 52956 1 . ALA 2 2 52956 1 . LYS 3 3 52956 1 . ALA 4 4 52956 1 . VAL 5 5 52956 1 . GLY 6 6 52956 1 . ILE 7 7 52956 1 . ASP 8 8 52956 1 . LEU 9 9 52956 1 . GLY 10 10 52956 1 . THR 11 11 52956 1 . THR 12 12 52956 1 . ASN 13 13 52956 1 . SER 14 14 52956 1 . VAL 15 15 52956 1 . ILE 16 16 52956 1 . ALA 17 17 52956 1 . VAL 18 18 52956 1 . LEU 19 19 52956 1 . GLU 20 20 52956 1 . GLY 21 21 52956 1 . GLY 22 22 52956 1 . LYS 23 23 52956 1 . PRO 24 24 52956 1 . VAL 25 25 52956 1 . VAL 26 26 52956 1 . LEU 27 27 52956 1 . GLU 28 28 52956 1 . ASN 29 29 52956 1 . ALA 30 30 52956 1 . GLU 31 31 52956 1 . GLY 32 32 52956 1 . GLU 33 33 52956 1 . ARG 34 34 52956 1 . VAL 35 35 52956 1 . THR 36 36 52956 1 . PRO 37 37 52956 1 . SER 38 38 52956 1 . VAL 39 39 52956 1 . VAL 40 40 52956 1 . ALA 41 41 52956 1 . PHE 42 42 52956 1 . ARG 43 43 52956 1 . ASP 44 44 52956 1 . GLY 45 45 52956 1 . GLU 46 46 52956 1 . THR 47 47 52956 1 . LEU 48 48 52956 1 . VAL 49 49 52956 1 . GLY 50 50 52956 1 . ARG 51 51 52956 1 . MET 52 52 52956 1 . ALA 53 53 52956 1 . LYS 54 54 52956 1 . ARG 55 55 52956 1 . GLN 56 56 52956 1 . ALA 57 57 52956 1 . VAL 58 58 52956 1 . LEU 59 59 52956 1 . ASN 60 60 52956 1 . PRO 61 61 52956 1 . GLU 62 62 52956 1 . GLY 63 63 52956 1 . THR 64 64 52956 1 . ILE 65 65 52956 1 . PHE 66 66 52956 1 . GLU 67 67 52956 1 . ILE 68 68 52956 1 . LYS 69 69 52956 1 . ARG 70 70 52956 1 . PHE 71 71 52956 1 . ILE 72 72 52956 1 . GLY 73 73 52956 1 . ARG 74 74 52956 1 . ARG 75 75 52956 1 . PHE 76 76 52956 1 . GLU 77 77 52956 1 . GLU 78 78 52956 1 . VAL 79 79 52956 1 . GLN 80 80 52956 1 . GLU 81 81 52956 1 . GLU 82 82 52956 1 . ALA 83 83 52956 1 . LYS 84 84 52956 1 . ARG 85 85 52956 1 . VAL 86 86 52956 1 . PRO 87 87 52956 1 . TYR 88 88 52956 1 . LYS 89 89 52956 1 . VAL 90 90 52956 1 . VAL 91 91 52956 1 . PRO 92 92 52956 1 . GLY 93 93 52956 1 . PRO 94 94 52956 1 . ASP 95 95 52956 1 . GLY 96 96 52956 1 . GLY 97 97 52956 1 . VAL 98 98 52956 1 . ARG 99 99 52956 1 . VAL 100 100 52956 1 . GLU 101 101 52956 1 . VAL 102 102 52956 1 . LYS 103 103 52956 1 . GLY 104 104 52956 1 . LYS 105 105 52956 1 . LEU 106 106 52956 1 . TYR 107 107 52956 1 . THR 108 108 52956 1 . PRO 109 109 52956 1 . GLU 110 110 52956 1 . GLU 111 111 52956 1 . ILE 112 112 52956 1 . SER 113 113 52956 1 . ALA 114 114 52956 1 . MET 115 115 52956 1 . ILE 116 116 52956 1 . LEU 117 117 52956 1 . ARG 118 118 52956 1 . LYS 119 119 52956 1 . LEU 120 120 52956 1 . VAL 121 121 52956 1 . GLU 122 122 52956 1 . ASP 123 123 52956 1 . ALA 124 124 52956 1 . SER 125 125 52956 1 . LYS 126 126 52956 1 . LYS 127 127 52956 1 . LEU 128 128 52956 1 . GLY 129 129 52956 1 . GLU 130 130 52956 1 . LYS 131 131 52956 1 . ILE 132 132 52956 1 . THR 133 133 52956 1 . LYS 134 134 52956 1 . ALA 135 135 52956 1 . VAL 136 136 52956 1 . ILE 137 137 52956 1 . THR 138 138 52956 1 . VAL 139 139 52956 1 . PRO 140 140 52956 1 . ALA 141 141 52956 1 . TYR 142 142 52956 1 . PHE 143 143 52956 1 . ASN 144 144 52956 1 . ASN 145 145 52956 1 . ALA 146 146 52956 1 . GLN 147 147 52956 1 . ARG 148 148 52956 1 . GLU 149 149 52956 1 . ALA 150 150 52956 1 . THR 151 151 52956 1 . ALA 152 152 52956 1 . ASN 153 153 52956 1 . ALA 154 154 52956 1 . GLY 155 155 52956 1 . ARG 156 156 52956 1 . ILE 157 157 52956 1 . ALA 158 158 52956 1 . GLY 159 159 52956 1 . LEU 160 160 52956 1 . GLU 161 161 52956 1 . VAL 162 162 52956 1 . LEU 163 163 52956 1 . ARG 164 164 52956 1 . ILE 165 165 52956 1 . ILE 166 166 52956 1 . ASN 167 167 52956 1 . GLU 168 168 52956 1 . PRO 169 169 52956 1 . THR 170 170 52956 1 . ALA 171 171 52956 1 . ALA 172 172 52956 1 . ALA 173 173 52956 1 . LEU 174 174 52956 1 . ALA 175 175 52956 1 . TYR 176 176 52956 1 . GLY 177 177 52956 1 . LEU 178 178 52956 1 . ASP 179 179 52956 1 . LYS 180 180 52956 1 . LYS 181 181 52956 1 . GLY 182 182 52956 1 . ASN 183 183 52956 1 . GLU 184 184 52956 1 . THR 185 185 52956 1 . VAL 186 186 52956 1 . LEU 187 187 52956 1 . VAL 188 188 52956 1 . PHE 189 189 52956 1 . ASP 190 190 52956 1 . LEU 191 191 52956 1 . GLY 192 192 52956 1 . GLY 193 193 52956 1 . GLY 194 194 52956 1 . THR 195 195 52956 1 . PHE 196 196 52956 1 . ASP 197 197 52956 1 . VAL 198 198 52956 1 . THR 199 199 52956 1 . ILE 200 200 52956 1 . LEU 201 201 52956 1 . GLU 202 202 52956 1 . ILE 203 203 52956 1 . GLY 204 204 52956 1 . GLU 205 205 52956 1 . GLY 206 206 52956 1 . VAL 207 207 52956 1 . PHE 208 208 52956 1 . GLU 209 209 52956 1 . VAL 210 210 52956 1 . LYS 211 211 52956 1 . ALA 212 212 52956 1 . THR 213 213 52956 1 . SER 214 214 52956 1 . GLY 215 215 52956 1 . ASP 216 216 52956 1 . THR 217 217 52956 1 . HIS 218 218 52956 1 . LEU 219 219 52956 1 . GLY 220 220 52956 1 . GLY 221 221 52956 1 . SER 222 222 52956 1 . ASP 223 223 52956 1 . MET 224 224 52956 1 . ASP 225 225 52956 1 . HIS 226 226 52956 1 . ALA 227 227 52956 1 . ILE 228 228 52956 1 . VAL 229 229 52956 1 . ASN 230 230 52956 1 . TRP 231 231 52956 1 . LEU 232 232 52956 1 . ALA 233 233 52956 1 . GLU 234 234 52956 1 . GLU 235 235 52956 1 . PHE 236 236 52956 1 . LYS 237 237 52956 1 . LYS 238 238 52956 1 . GLU 239 239 52956 1 . HIS 240 240 52956 1 . GLY 241 241 52956 1 . VAL 242 242 52956 1 . ASP 243 243 52956 1 . LEU 244 244 52956 1 . LYS 245 245 52956 1 . ALA 246 246 52956 1 . ASP 247 247 52956 1 . ARG 248 248 52956 1 . GLN 249 249 52956 1 . ALA 250 250 52956 1 . LEU 251 251 52956 1 . GLN 252 252 52956 1 . ARG 253 253 52956 1 . LEU 254 254 52956 1 . ILE 255 255 52956 1 . GLU 256 256 52956 1 . ALA 257 257 52956 1 . ALA 258 258 52956 1 . GLU 259 259 52956 1 . LYS 260 260 52956 1 . ALA 261 261 52956 1 . LYS 262 262 52956 1 . ILE 263 263 52956 1 . GLU 264 264 52956 1 . LEU 265 265 52956 1 . SER 266 266 52956 1 . SER 267 267 52956 1 . THR 268 268 52956 1 . LEU 269 269 52956 1 . GLU 270 270 52956 1 . THR 271 271 52956 1 . THR 272 272 52956 1 . ILE 273 273 52956 1 . SER 274 274 52956 1 . LEU 275 275 52956 1 . PRO 276 276 52956 1 . PHE 277 277 52956 1 . ILE 278 278 52956 1 . ALA 279 279 52956 1 . LEU 280 280 52956 1 . ASP 281 281 52956 1 . PRO 282 282 52956 1 . ALA 283 283 52956 1 . SER 284 284 52956 1 . LYS 285 285 52956 1 . THR 286 286 52956 1 . PRO 287 287 52956 1 . LEU 288 288 52956 1 . HIS 289 289 52956 1 . LEU 290 290 52956 1 . GLU 291 291 52956 1 . LYS 292 292 52956 1 . LYS 293 293 52956 1 . LEU 294 294 52956 1 . THR 295 295 52956 1 . ARG 296 296 52956 1 . ALA 297 297 52956 1 . LYS 298 298 52956 1 . PHE 299 299 52956 1 . GLU 300 300 52956 1 . GLU 301 301 52956 1 . LEU 302 302 52956 1 . ILE 303 303 52956 1 . GLN 304 304 52956 1 . PRO 305 305 52956 1 . LEU 306 306 52956 1 . LEU 307 307 52956 1 . LYS 308 308 52956 1 . ARG 309 309 52956 1 . LEU 310 310 52956 1 . ARG 311 311 52956 1 . GLY 312 312 52956 1 . PRO 313 313 52956 1 . VAL 314 314 52956 1 . GLU 315 315 52956 1 . GLN 316 316 52956 1 . ALA 317 317 52956 1 . LEU 318 318 52956 1 . LYS 319 319 52956 1 . ASP 320 320 52956 1 . ALA 321 321 52956 1 . GLY 322 322 52956 1 . LEU 323 323 52956 1 . THR 324 324 52956 1 . PRO 325 325 52956 1 . ALA 326 326 52956 1 . GLN 327 327 52956 1 . ILE 328 328 52956 1 . ASP 329 329 52956 1 . GLU 330 330 52956 1 . VAL 331 331 52956 1 . ILE 332 332 52956 1 . LEU 333 333 52956 1 . VAL 334 334 52956 1 . GLY 335 335 52956 1 . GLY 336 336 52956 1 . ALA 337 337 52956 1 . THR 338 338 52956 1 . ARG 339 339 52956 1 . VAL 340 340 52956 1 . PRO 341 341 52956 1 . ALA 342 342 52956 1 . VAL 343 343 52956 1 . GLN 344 344 52956 1 . GLN 345 345 52956 1 . VAL 346 346 52956 1 . VAL 347 347 52956 1 . ARG 348 348 52956 1 . GLU 349 349 52956 1 . LEU 350 350 52956 1 . LEU 351 351 52956 1 . GLY 352 352 52956 1 . LYS 353 353 52956 1 . GLU 354 354 52956 1 . PRO 355 355 52956 1 . ASN 356 356 52956 1 . ARG 357 357 52956 1 . SER 358 358 52956 1 . VAL 359 359 52956 1 . ASN 360 360 52956 1 . PRO 361 361 52956 1 . ASP 362 362 52956 1 . GLU 363 363 52956 1 . VAL 364 364 52956 1 . VAL 365 365 52956 1 . ALA 366 366 52956 1 . MET 367 367 52956 1 . GLY 368 368 52956 1 . ALA 369 369 52956 1 . ALA 370 370 52956 1 . ILE 371 371 52956 1 . GLN 372 372 52956 1 . ALA 373 373 52956 1 . GLY 374 374 52956 1 . VAL 375 375 52956 1 . LEU 376 376 52956 1 . MET 377 377 52956 1 . GLY 378 378 52956 1 . GLU 379 379 52956 1 . VAL 380 380 52956 1 . ARG 381 381 52956 1 . ASP 382 382 52956 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52956 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 274 organism . 'Thermus thermophilus' 'Thermus thermophilus' . . Bacteria . Thermus thermophilus . . . . . . . . . . . . . 52956 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52956 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Thermus thermophilus' . . . Thermus thermophilus pCoofy . . plasmid . . pCoofy . . . 52956 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52956 _Sample.ID 1 _Sample.Name DnaKNBD _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DnaKNBD '[U-100% 13C; U-100% 15N; U-100% 2H]' . . 1 $entity_1 . . 350 . . uM . . . . 52956 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 52956 1 3 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 52956 1 4 'potassium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 52956 1 5 'sodium chloride' 'natural abundance' . . . . . . 75 . . mM . . . . 52956 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52956 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'condition 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 52956 1 pH 7.0 . pH 52956 1 pressure 1 . atm 52956 1 temperature 315 . K 52956 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52956 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52956 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52956 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 800MHz _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52956 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52956 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52956 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'IUPAC referencing' _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52956 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52956 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52956 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52956 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name DnaKADP _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N TROSY' . . . 52956 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 52956 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 2 2 ALA H H 1 8.143 0.000 . . . . . . . 2 ALA H . 52956 1 2 . 1 . 1 2 2 ALA N N 15 125.154 0.000 . . . . . . . 2 ALA N . 52956 1 3 . 1 . 1 3 3 LYS H H 1 8.259 0.000 . . . . . . . 3 LYS H . 52956 1 4 . 1 . 1 3 3 LYS N N 15 118.865 0.000 . . . . . . . 3 LYS N . 52956 1 5 . 1 . 1 4 4 ALA H H 1 8.455 0.000 . . . . . . . 4 ALA H . 52956 1 6 . 1 . 1 4 4 ALA N N 15 123.582 0.000 . . . . . . . 4 ALA N . 52956 1 7 . 1 . 1 5 5 VAL H H 1 8.013 0.000 . . . . . . . 5 VAL H . 52956 1 8 . 1 . 1 5 5 VAL N N 15 114.864 0.000 . . . . . . . 5 VAL N . 52956 1 9 . 1 . 1 6 6 GLY H H 1 9.081 0.000 . . . . . . . 6 GLY H . 52956 1 10 . 1 . 1 6 6 GLY N N 15 107.977 0.000 . . . . . . . 6 GLY N . 52956 1 11 . 1 . 1 7 7 ILE H H 1 8.594 0.000 . . . . . . . 7 ILE H . 52956 1 12 . 1 . 1 7 7 ILE N N 15 122.218 0.000 . . . . . . . 7 ILE N . 52956 1 13 . 1 . 1 8 8 ASP H H 1 8.279 0.000 . . . . . . . 8 ASP H . 52956 1 14 . 1 . 1 8 8 ASP N N 15 124.171 0.000 . . . . . . . 8 ASP N . 52956 1 15 . 1 . 1 9 9 LEU H H 1 6.667 0.000 . . . . . . . 9 LEU H . 52956 1 16 . 1 . 1 9 9 LEU N N 15 128.775 0.000 . . . . . . . 9 LEU N . 52956 1 17 . 1 . 1 10 10 GLY H H 1 7.296 0.000 . . . . . . . 10 GLY H . 52956 1 18 . 1 . 1 10 10 GLY N N 15 112.945 0.000 . . . . . . . 10 GLY N . 52956 1 19 . 1 . 1 11 11 THR H H 1 10.639 0.000 . . . . . . . 11 THR H . 52956 1 20 . 1 . 1 11 11 THR N N 15 125.667 0.000 . . . . . . . 11 THR N . 52956 1 21 . 1 . 1 12 12 THR H H 1 10.375 0.000 . . . . . . . 12 THR H . 52956 1 22 . 1 . 1 12 12 THR N N 15 119.378 0.000 . . . . . . . 12 THR N . 52956 1 23 . 1 . 1 13 13 ASN H H 1 11.173 0.000 . . . . . . . 13 ASN H . 52956 1 24 . 1 . 1 13 13 ASN N N 15 126.160 0.000 . . . . . . . 13 ASN N . 52956 1 25 . 1 . 1 14 14 SER H H 1 9.798 0.000 . . . . . . . 14 SER H . 52956 1 26 . 1 . 1 14 14 SER N N 15 116.453 0.000 . . . . . . . 14 SER N . 52956 1 27 . 1 . 1 15 15 VAL H H 1 8.608 0.000 . . . . . . . 15 VAL H . 52956 1 28 . 1 . 1 15 15 VAL N N 15 123.141 0.000 . . . . . . . 15 VAL N . 52956 1 29 . 1 . 1 16 16 ILE H H 1 9.196 0.000 . . . . . . . 16 ILE H . 52956 1 30 . 1 . 1 16 16 ILE N N 15 126.062 0.000 . . . . . . . 16 ILE N . 52956 1 31 . 1 . 1 17 17 ALA H H 1 9.045 0.000 . . . . . . . 17 ALA H . 52956 1 32 . 1 . 1 17 17 ALA N N 15 127.222 0.000 . . . . . . . 17 ALA N . 52956 1 33 . 1 . 1 18 18 VAL H H 1 8.981 0.000 . . . . . . . 18 VAL H . 52956 1 34 . 1 . 1 18 18 VAL N N 15 116.978 0.000 . . . . . . . 18 VAL N . 52956 1 35 . 1 . 1 19 19 LEU H H 1 8.268 0.000 . . . . . . . 19 LEU H . 52956 1 36 . 1 . 1 19 19 LEU N N 15 123.928 0.000 . . . . . . . 19 LEU N . 52956 1 37 . 1 . 1 20 20 GLU H H 1 8.982 0.000 . . . . . . . 20 GLU H . 52956 1 38 . 1 . 1 20 20 GLU N N 15 126.231 0.000 . . . . . . . 20 GLU N . 52956 1 39 . 1 . 1 23 23 LYS H H 1 7.568 0.000 . . . . . . . 23 LYS H . 52956 1 40 . 1 . 1 23 23 LYS N N 15 119.863 0.000 . . . . . . . 23 LYS N . 52956 1 41 . 1 . 1 25 25 VAL H H 1 9.316 0.000 . . . . . . . 25 VAL H . 52956 1 42 . 1 . 1 25 25 VAL N N 15 123.428 0.000 . . . . . . . 25 VAL N . 52956 1 43 . 1 . 1 26 26 VAL H H 1 8.330 0.000 . . . . . . . 26 VAL H . 52956 1 44 . 1 . 1 26 26 VAL N N 15 126.178 0.000 . . . . . . . 26 VAL N . 52956 1 45 . 1 . 1 27 27 LEU H H 1 8.190 0.000 . . . . . . . 27 LEU H . 52956 1 46 . 1 . 1 27 27 LEU N N 15 126.836 0.000 . . . . . . . 27 LEU N . 52956 1 47 . 1 . 1 28 28 GLU H H 1 8.288 0.000 . . . . . . . 28 GLU H . 52956 1 48 . 1 . 1 28 28 GLU N N 15 120.407 0.000 . . . . . . . 28 GLU N . 52956 1 49 . 1 . 1 29 29 ASN H H 1 8.119 0.000 . . . . . . . 29 ASN H . 52956 1 50 . 1 . 1 29 29 ASN N N 15 117.311 0.000 . . . . . . . 29 ASN N . 52956 1 51 . 1 . 1 30 30 ALA H H 1 8.949 0.000 . . . . . . . 30 ALA H . 52956 1 52 . 1 . 1 30 30 ALA N N 15 121.205 0.000 . . . . . . . 30 ALA N . 52956 1 53 . 1 . 1 31 31 GLU H H 1 7.920 0.000 . . . . . . . 31 GLU H . 52956 1 54 . 1 . 1 31 31 GLU N N 15 116.809 0.000 . . . . . . . 31 GLU N . 52956 1 55 . 1 . 1 32 32 GLY H H 1 8.264 0.000 . . . . . . . 32 GLY H . 52956 1 56 . 1 . 1 32 32 GLY N N 15 108.062 0.000 . . . . . . . 32 GLY N . 52956 1 57 . 1 . 1 33 33 GLU H H 1 8.052 0.000 . . . . . . . 33 GLU H . 52956 1 58 . 1 . 1 33 33 GLU N N 15 118.256 0.000 . . . . . . . 33 GLU N . 52956 1 59 . 1 . 1 34 34 ARG H H 1 8.981 0.000 . . . . . . . 34 ARG H . 52956 1 60 . 1 . 1 34 34 ARG N N 15 120.972 0.000 . . . . . . . 34 ARG N . 52956 1 61 . 1 . 1 35 35 VAL H H 1 7.011 0.000 . . . . . . . 35 VAL H . 52956 1 62 . 1 . 1 35 35 VAL N N 15 107.167 0.000 . . . . . . . 35 VAL N . 52956 1 63 . 1 . 1 36 36 THR H H 1 9.359 0.000 . . . . . . . 36 THR H . 52956 1 64 . 1 . 1 36 36 THR N N 15 119.736 0.000 . . . . . . . 36 THR N . 52956 1 65 . 1 . 1 38 38 SER H H 1 9.519 0.000 . . . . . . . 38 SER H . 52956 1 66 . 1 . 1 38 38 SER N N 15 123.816 0.000 . . . . . . . 38 SER N . 52956 1 67 . 1 . 1 39 39 VAL H H 1 8.649 0.000 . . . . . . . 39 VAL H . 52956 1 68 . 1 . 1 39 39 VAL N N 15 125.861 0.000 . . . . . . . 39 VAL N . 52956 1 69 . 1 . 1 40 40 VAL H H 1 8.039 0.000 . . . . . . . 40 VAL H . 52956 1 70 . 1 . 1 40 40 VAL N N 15 125.545 0.000 . . . . . . . 40 VAL N . 52956 1 71 . 1 . 1 41 41 ALA H H 1 9.360 0.000 . . . . . . . 41 ALA H . 52956 1 72 . 1 . 1 41 41 ALA N N 15 126.127 0.000 . . . . . . . 41 ALA N . 52956 1 73 . 1 . 1 42 42 PHE H H 1 8.665 0.000 . . . . . . . 42 PHE H . 52956 1 74 . 1 . 1 42 42 PHE N N 15 120.378 0.000 . . . . . . . 42 PHE N . 52956 1 75 . 1 . 1 43 43 ARG H H 1 8.558 0.000 . . . . . . . 43 ARG H . 52956 1 76 . 1 . 1 43 43 ARG N N 15 124.147 0.000 . . . . . . . 43 ARG N . 52956 1 77 . 1 . 1 46 46 GLU H H 1 7.969 0.000 . . . . . . . 46 GLU H . 52956 1 78 . 1 . 1 46 46 GLU N N 15 120.093 0.000 . . . . . . . 46 GLU N . 52956 1 79 . 1 . 1 47 47 THR H H 1 8.512 0.000 . . . . . . . 47 THR H . 52956 1 80 . 1 . 1 47 47 THR N N 15 119.254 0.000 . . . . . . . 47 THR N . 52956 1 81 . 1 . 1 48 48 LEU H H 1 9.244 0.000 . . . . . . . 48 LEU H . 52956 1 82 . 1 . 1 48 48 LEU N N 15 127.010 0.000 . . . . . . . 48 LEU N . 52956 1 83 . 1 . 1 49 49 VAL H H 1 8.633 0.000 . . . . . . . 49 VAL H . 52956 1 84 . 1 . 1 49 49 VAL N N 15 120.685 0.000 . . . . . . . 49 VAL N . 52956 1 85 . 1 . 1 50 50 GLY H H 1 8.827 0.000 . . . . . . . 50 GLY H . 52956 1 86 . 1 . 1 50 50 GLY N N 15 113.171 0.000 . . . . . . . 50 GLY N . 52956 1 87 . 1 . 1 51 51 ARG H H 1 10.684 0.000 . . . . . . . 51 ARG H . 52956 1 88 . 1 . 1 51 51 ARG N N 15 131.488 0.000 . . . . . . . 51 ARG N . 52956 1 89 . 1 . 1 52 52 MET H H 1 9.479 0.000 . . . . . . . 52 MET H . 52956 1 90 . 1 . 1 52 52 MET N N 15 114.685 0.000 . . . . . . . 52 MET N . 52956 1 91 . 1 . 1 53 53 ALA H H 1 6.731 0.000 . . . . . . . 53 ALA H . 52956 1 92 . 1 . 1 53 53 ALA N N 15 117.143 0.000 . . . . . . . 53 ALA N . 52956 1 93 . 1 . 1 54 54 LYS H H 1 8.284 0.000 . . . . . . . 54 LYS H . 52956 1 94 . 1 . 1 54 54 LYS N N 15 121.982 0.000 . . . . . . . 54 LYS N . 52956 1 95 . 1 . 1 55 55 ARG H H 1 7.973 0.000 . . . . . . . 55 ARG H . 52956 1 96 . 1 . 1 55 55 ARG N N 15 113.816 0.000 . . . . . . . 55 ARG N . 52956 1 97 . 1 . 1 56 56 GLN H H 1 7.129 0.000 . . . . . . . 56 GLN H . 52956 1 98 . 1 . 1 56 56 GLN N N 15 110.447 0.000 . . . . . . . 56 GLN N . 52956 1 99 . 1 . 1 57 57 ALA H H 1 7.280 0.000 . . . . . . . 57 ALA H . 52956 1 100 . 1 . 1 57 57 ALA N N 15 123.031 0.000 . . . . . . . 57 ALA N . 52956 1 101 . 1 . 1 58 58 VAL H H 1 8.959 0.000 . . . . . . . 58 VAL H . 52956 1 102 . 1 . 1 58 58 VAL N N 15 116.321 0.000 . . . . . . . 58 VAL N . 52956 1 103 . 1 . 1 59 59 LEU H H 1 6.888 0.000 . . . . . . . 59 LEU H . 52956 1 104 . 1 . 1 59 59 LEU N N 15 115.818 0.000 . . . . . . . 59 LEU N . 52956 1 105 . 1 . 1 60 60 ASN H H 1 7.280 0.000 . . . . . . . 60 ASN H . 52956 1 106 . 1 . 1 60 60 ASN N N 15 113.761 0.000 . . . . . . . 60 ASN N . 52956 1 107 . 1 . 1 62 62 GLU H H 1 8.811 0.000 . . . . . . . 62 GLU H . 52956 1 108 . 1 . 1 62 62 GLU N N 15 114.543 0.000 . . . . . . . 62 GLU N . 52956 1 109 . 1 . 1 63 63 GLY H H 1 6.997 0.000 . . . . . . . 63 GLY H . 52956 1 110 . 1 . 1 63 63 GLY N N 15 101.521 0.000 . . . . . . . 63 GLY N . 52956 1 111 . 1 . 1 64 64 THR H H 1 6.954 0.000 . . . . . . . 64 THR H . 52956 1 112 . 1 . 1 64 64 THR N N 15 114.883 0.000 . . . . . . . 64 THR N . 52956 1 113 . 1 . 1 65 65 ILE H H 1 9.716 0.000 . . . . . . . 65 ILE H . 52956 1 114 . 1 . 1 65 65 ILE N N 15 127.526 0.000 . . . . . . . 65 ILE N . 52956 1 115 . 1 . 1 66 66 PHE H H 1 6.569 0.000 . . . . . . . 66 PHE H . 52956 1 116 . 1 . 1 66 66 PHE N N 15 122.828 0.000 . . . . . . . 66 PHE N . 52956 1 117 . 1 . 1 67 67 GLU H H 1 10.151 0.000 . . . . . . . 67 GLU H . 52956 1 118 . 1 . 1 67 67 GLU N N 15 117.769 0.000 . . . . . . . 67 GLU N . 52956 1 119 . 1 . 1 68 68 ILE H H 1 8.106 0.000 . . . . . . . 68 ILE H . 52956 1 120 . 1 . 1 68 68 ILE N N 15 118.618 0.000 . . . . . . . 68 ILE N . 52956 1 121 . 1 . 1 69 69 LYS H H 1 8.184 0.000 . . . . . . . 69 LYS H . 52956 1 122 . 1 . 1 69 69 LYS N N 15 124.284 0.000 . . . . . . . 69 LYS N . 52956 1 123 . 1 . 1 70 70 ARG H H 1 7.752 0.000 . . . . . . . 70 ARG H . 52956 1 124 . 1 . 1 70 70 ARG N N 15 113.650 0.000 . . . . . . . 70 ARG N . 52956 1 125 . 1 . 1 71 71 PHE H H 1 8.142 0.000 . . . . . . . 71 PHE H . 52956 1 126 . 1 . 1 71 71 PHE N N 15 111.726 0.000 . . . . . . . 71 PHE N . 52956 1 127 . 1 . 1 72 72 ILE H H 1 6.875 0.000 . . . . . . . 72 ILE H . 52956 1 128 . 1 . 1 72 72 ILE N N 15 118.412 0.000 . . . . . . . 72 ILE N . 52956 1 129 . 1 . 1 73 73 GLY H H 1 10.061 0.000 . . . . . . . 73 GLY H . 52956 1 130 . 1 . 1 73 73 GLY N N 15 114.400 0.000 . . . . . . . 73 GLY N . 52956 1 131 . 1 . 1 74 74 ARG H H 1 7.383 0.000 . . . . . . . 74 ARG H . 52956 1 132 . 1 . 1 74 74 ARG N N 15 116.558 0.000 . . . . . . . 74 ARG N . 52956 1 133 . 1 . 1 75 75 ARG H H 1 8.968 0.000 . . . . . . . 75 ARG H . 52956 1 134 . 1 . 1 75 75 ARG N N 15 119.762 0.000 . . . . . . . 75 ARG N . 52956 1 135 . 1 . 1 76 76 PHE H H 1 8.941 0.000 . . . . . . . 76 PHE H . 52956 1 136 . 1 . 1 76 76 PHE N N 15 123.845 0.000 . . . . . . . 76 PHE N . 52956 1 137 . 1 . 1 77 77 GLU H H 1 9.109 0.000 . . . . . . . 77 GLU H . 52956 1 138 . 1 . 1 77 77 GLU N N 15 113.946 0.000 . . . . . . . 77 GLU N . 52956 1 139 . 1 . 1 78 78 GLU H H 1 7.508 0.000 . . . . . . . 78 GLU H . 52956 1 140 . 1 . 1 78 78 GLU N N 15 115.163 0.000 . . . . . . . 78 GLU N . 52956 1 141 . 1 . 1 79 79 VAL H H 1 7.409 0.000 . . . . . . . 79 VAL H . 52956 1 142 . 1 . 1 79 79 VAL N N 15 109.440 0.000 . . . . . . . 79 VAL N . 52956 1 143 . 1 . 1 80 80 GLN H H 1 7.367 0.000 . . . . . . . 80 GLN H . 52956 1 144 . 1 . 1 80 80 GLN N N 15 121.669 0.000 . . . . . . . 80 GLN N . 52956 1 145 . 1 . 1 81 81 GLU H H 1 8.450 0.000 . . . . . . . 81 GLU H . 52956 1 146 . 1 . 1 81 81 GLU N N 15 116.699 0.000 . . . . . . . 81 GLU N . 52956 1 147 . 1 . 1 82 82 GLU H H 1 7.481 0.000 . . . . . . . 82 GLU H . 52956 1 148 . 1 . 1 82 82 GLU N N 15 120.117 0.000 . . . . . . . 82 GLU N . 52956 1 149 . 1 . 1 83 83 ALA H H 1 8.563 0.000 . . . . . . . 83 ALA H . 52956 1 150 . 1 . 1 83 83 ALA N N 15 119.573 0.000 . . . . . . . 83 ALA N . 52956 1 151 . 1 . 1 84 84 LYS H H 1 7.166 0.000 . . . . . . . 84 LYS H . 52956 1 152 . 1 . 1 84 84 LYS N N 15 113.316 0.000 . . . . . . . 84 LYS N . 52956 1 153 . 1 . 1 85 85 ARG H H 1 7.401 0.000 . . . . . . . 85 ARG H . 52956 1 154 . 1 . 1 85 85 ARG N N 15 116.085 0.000 . . . . . . . 85 ARG N . 52956 1 155 . 1 . 1 86 86 VAL H H 1 7.039 0.000 . . . . . . . 86 VAL H . 52956 1 156 . 1 . 1 86 86 VAL N N 15 110.520 0.000 . . . . . . . 86 VAL N . 52956 1 157 . 1 . 1 88 88 TYR H H 1 6.278 0.000 . . . . . . . 88 TYR H . 52956 1 158 . 1 . 1 88 88 TYR N N 15 114.086 0.000 . . . . . . . 88 TYR N . 52956 1 159 . 1 . 1 89 89 LYS H H 1 9.077 0.000 . . . . . . . 89 LYS H . 52956 1 160 . 1 . 1 89 89 LYS N N 15 121.520 0.000 . . . . . . . 89 LYS N . 52956 1 161 . 1 . 1 90 90 VAL H H 1 7.710 0.000 . . . . . . . 90 VAL H . 52956 1 162 . 1 . 1 90 90 VAL N N 15 126.518 0.000 . . . . . . . 90 VAL N . 52956 1 163 . 1 . 1 91 91 VAL H H 1 9.070 0.000 . . . . . . . 91 VAL H . 52956 1 164 . 1 . 1 91 91 VAL N N 15 119.944 0.000 . . . . . . . 91 VAL N . 52956 1 165 . 1 . 1 93 93 GLY H H 1 8.406 0.000 . . . . . . . 93 GLY H . 52956 1 166 . 1 . 1 93 93 GLY N N 15 107.025 0.000 . . . . . . . 93 GLY N . 52956 1 167 . 1 . 1 95 95 ASP H H 1 8.059 0.000 . . . . . . . 95 ASP H . 52956 1 168 . 1 . 1 95 95 ASP N N 15 115.198 0.000 . . . . . . . 95 ASP N . 52956 1 169 . 1 . 1 96 96 GLY H H 1 7.999 0.000 . . . . . . . 96 GLY H . 52956 1 170 . 1 . 1 96 96 GLY N N 15 107.971 0.000 . . . . . . . 96 GLY N . 52956 1 171 . 1 . 1 97 97 GLY H H 1 8.290 0.000 . . . . . . . 97 GLY H . 52956 1 172 . 1 . 1 97 97 GLY N N 15 108.952 0.000 . . . . . . . 97 GLY N . 52956 1 173 . 1 . 1 98 98 VAL H H 1 8.519 0.000 . . . . . . . 98 VAL H . 52956 1 174 . 1 . 1 98 98 VAL N N 15 119.594 0.000 . . . . . . . 98 VAL N . 52956 1 175 . 1 . 1 99 99 ARG H H 1 9.110 0.000 . . . . . . . 99 ARG H . 52956 1 176 . 1 . 1 99 99 ARG N N 15 123.622 0.000 . . . . . . . 99 ARG N . 52956 1 177 . 1 . 1 100 100 VAL H H 1 9.157 0.000 . . . . . . . 100 VAL H . 52956 1 178 . 1 . 1 100 100 VAL N N 15 118.139 0.000 . . . . . . . 100 VAL N . 52956 1 179 . 1 . 1 101 101 GLU H H 1 8.588 0.000 . . . . . . . 101 GLU H . 52956 1 180 . 1 . 1 101 101 GLU N N 15 127.683 0.000 . . . . . . . 101 GLU N . 52956 1 181 . 1 . 1 102 102 VAL H H 1 9.034 0.000 . . . . . . . 102 VAL H . 52956 1 182 . 1 . 1 102 102 VAL N N 15 126.069 0.000 . . . . . . . 102 VAL N . 52956 1 183 . 1 . 1 103 103 LYS H H 1 9.469 0.000 . . . . . . . 103 LYS H . 52956 1 184 . 1 . 1 103 103 LYS N N 15 128.270 0.000 . . . . . . . 103 LYS N . 52956 1 185 . 1 . 1 104 104 GLY H H 1 8.580 0.000 . . . . . . . 104 GLY H . 52956 1 186 . 1 . 1 104 104 GLY N N 15 104.310 0.000 . . . . . . . 104 GLY N . 52956 1 187 . 1 . 1 105 105 LYS H H 1 7.772 0.000 . . . . . . . 105 LYS H . 52956 1 188 . 1 . 1 105 105 LYS N N 15 122.413 0.000 . . . . . . . 105 LYS N . 52956 1 189 . 1 . 1 106 106 LEU H H 1 7.879 0.000 . . . . . . . 106 LEU H . 52956 1 190 . 1 . 1 106 106 LEU N N 15 121.168 0.000 . . . . . . . 106 LEU N . 52956 1 191 . 1 . 1 107 107 TYR H H 1 9.169 0.000 . . . . . . . 107 TYR H . 52956 1 192 . 1 . 1 107 107 TYR N N 15 120.116 0.000 . . . . . . . 107 TYR N . 52956 1 193 . 1 . 1 108 108 THR H H 1 9.499 0.000 . . . . . . . 108 THR H . 52956 1 194 . 1 . 1 108 108 THR N N 15 113.407 0.000 . . . . . . . 108 THR N . 52956 1 195 . 1 . 1 110 110 GLU H H 1 11.177 0.000 . . . . . . . 110 GLU H . 52956 1 196 . 1 . 1 110 110 GLU N N 15 121.214 0.000 . . . . . . . 110 GLU N . 52956 1 197 . 1 . 1 111 111 GLU H H 1 8.231 0.000 . . . . . . . 111 GLU H . 52956 1 198 . 1 . 1 111 111 GLU N N 15 120.840 0.000 . . . . . . . 111 GLU N . 52956 1 199 . 1 . 1 112 112 ILE H H 1 7.915 0.000 . . . . . . . 112 ILE H . 52956 1 200 . 1 . 1 112 112 ILE N N 15 118.802 0.000 . . . . . . . 112 ILE N . 52956 1 201 . 1 . 1 113 113 SER H H 1 8.488 0.000 . . . . . . . 113 SER H . 52956 1 202 . 1 . 1 113 113 SER N N 15 114.746 0.000 . . . . . . . 113 SER N . 52956 1 203 . 1 . 1 114 114 ALA H H 1 8.616 0.000 . . . . . . . 114 ALA H . 52956 1 204 . 1 . 1 114 114 ALA N N 15 122.663 0.000 . . . . . . . 114 ALA N . 52956 1 205 . 1 . 1 115 115 MET H H 1 7.651 0.000 . . . . . . . 115 MET H . 52956 1 206 . 1 . 1 115 115 MET N N 15 117.468 0.000 . . . . . . . 115 MET N . 52956 1 207 . 1 . 1 116 116 ILE H H 1 7.035 0.000 . . . . . . . 116 ILE H . 52956 1 208 . 1 . 1 116 116 ILE N N 15 119.400 0.000 . . . . . . . 116 ILE N . 52956 1 209 . 1 . 1 117 117 LEU H H 1 7.930 0.000 . . . . . . . 117 LEU H . 52956 1 210 . 1 . 1 117 117 LEU N N 15 116.344 0.000 . . . . . . . 117 LEU N . 52956 1 211 . 1 . 1 118 118 ARG H H 1 8.874 0.000 . . . . . . . 118 ARG H . 52956 1 212 . 1 . 1 118 118 ARG N N 15 116.693 0.000 . . . . . . . 118 ARG N . 52956 1 213 . 1 . 1 119 119 LYS H H 1 7.121 0.000 . . . . . . . 119 LYS H . 52956 1 214 . 1 . 1 119 119 LYS N N 15 119.280 0.000 . . . . . . . 119 LYS N . 52956 1 215 . 1 . 1 120 120 LEU H H 1 7.694 0.000 . . . . . . . 120 LEU H . 52956 1 216 . 1 . 1 120 120 LEU N N 15 116.565 0.000 . . . . . . . 120 LEU N . 52956 1 217 . 1 . 1 121 121 VAL H H 1 8.392 0.000 . . . . . . . 121 VAL H . 52956 1 218 . 1 . 1 121 121 VAL N N 15 115.224 0.000 . . . . . . . 121 VAL N . 52956 1 219 . 1 . 1 122 122 GLU H H 1 9.078 0.000 . . . . . . . 122 GLU H . 52956 1 220 . 1 . 1 122 122 GLU N N 15 125.069 0.000 . . . . . . . 122 GLU N . 52956 1 221 . 1 . 1 123 123 ASP H H 1 8.825 0.000 . . . . . . . 123 ASP H . 52956 1 222 . 1 . 1 123 123 ASP N N 15 121.408 0.000 . . . . . . . 123 ASP N . 52956 1 223 . 1 . 1 124 124 ALA H H 1 8.496 0.000 . . . . . . . 124 ALA H . 52956 1 224 . 1 . 1 124 124 ALA N N 15 123.033 0.000 . . . . . . . 124 ALA N . 52956 1 225 . 1 . 1 125 125 SER H H 1 8.522 0.000 . . . . . . . 125 SER H . 52956 1 226 . 1 . 1 125 125 SER N N 15 115.193 0.000 . . . . . . . 125 SER N . 52956 1 227 . 1 . 1 126 126 LYS H H 1 7.706 0.000 . . . . . . . 126 LYS H . 52956 1 228 . 1 . 1 126 126 LYS N N 15 121.824 0.000 . . . . . . . 126 LYS N . 52956 1 229 . 1 . 1 127 127 LYS H H 1 7.403 0.000 . . . . . . . 127 LYS H . 52956 1 230 . 1 . 1 127 127 LYS N N 15 118.166 0.000 . . . . . . . 127 LYS N . 52956 1 231 . 1 . 1 128 128 LEU H H 1 8.275 0.000 . . . . . . . 128 LEU H . 52956 1 232 . 1 . 1 128 128 LEU N N 15 116.230 0.000 . . . . . . . 128 LEU N . 52956 1 233 . 1 . 1 129 129 GLY H H 1 8.042 0.000 . . . . . . . 129 GLY H . 52956 1 234 . 1 . 1 129 129 GLY N N 15 106.598 0.000 . . . . . . . 129 GLY N . 52956 1 235 . 1 . 1 130 130 GLU H H 1 7.414 0.000 . . . . . . . 130 GLU H . 52956 1 236 . 1 . 1 130 130 GLU N N 15 116.455 0.000 . . . . . . . 130 GLU N . 52956 1 237 . 1 . 1 131 131 LYS H H 1 8.298 0.000 . . . . . . . 131 LYS H . 52956 1 238 . 1 . 1 131 131 LYS N N 15 120.415 0.000 . . . . . . . 131 LYS N . 52956 1 239 . 1 . 1 132 132 ILE H H 1 8.074 0.000 . . . . . . . 132 ILE H . 52956 1 240 . 1 . 1 132 132 ILE N N 15 127.772 0.000 . . . . . . . 132 ILE N . 52956 1 241 . 1 . 1 133 133 THR H H 1 8.602 0.000 . . . . . . . 133 THR H . 52956 1 242 . 1 . 1 133 133 THR N N 15 113.900 0.000 . . . . . . . 133 THR N . 52956 1 243 . 1 . 1 134 134 LYS H H 1 7.774 0.000 . . . . . . . 134 LYS H . 52956 1 244 . 1 . 1 134 134 LYS N N 15 121.694 0.000 . . . . . . . 134 LYS N . 52956 1 245 . 1 . 1 135 135 ALA H H 1 8.432 0.000 . . . . . . . 135 ALA H . 52956 1 246 . 1 . 1 135 135 ALA N N 15 118.838 0.000 . . . . . . . 135 ALA N . 52956 1 247 . 1 . 1 136 136 VAL H H 1 8.546 0.000 . . . . . . . 136 VAL H . 52956 1 248 . 1 . 1 136 136 VAL N N 15 121.029 0.000 . . . . . . . 136 VAL N . 52956 1 249 . 1 . 1 137 137 ILE H H 1 7.435 0.000 . . . . . . . 137 ILE H . 52956 1 250 . 1 . 1 137 137 ILE N N 15 124.966 0.000 . . . . . . . 137 ILE N . 52956 1 251 . 1 . 1 138 138 THR H H 1 8.030 0.000 . . . . . . . 138 THR H . 52956 1 252 . 1 . 1 138 138 THR N N 15 115.427 0.000 . . . . . . . 138 THR N . 52956 1 253 . 1 . 1 139 139 VAL H H 1 8.012 0.000 . . . . . . . 139 VAL H . 52956 1 254 . 1 . 1 139 139 VAL N N 15 107.449 0.000 . . . . . . . 139 VAL N . 52956 1 255 . 1 . 1 141 141 ALA H H 1 10.441 0.000 . . . . . . . 141 ALA H . 52956 1 256 . 1 . 1 141 141 ALA N N 15 123.882 0.000 . . . . . . . 141 ALA N . 52956 1 257 . 1 . 1 142 142 TYR H H 1 6.228 0.000 . . . . . . . 142 TYR H . 52956 1 258 . 1 . 1 142 142 TYR N N 15 105.956 0.000 . . . . . . . 142 TYR N . 52956 1 259 . 1 . 1 143 143 PHE H H 1 7.339 0.000 . . . . . . . 143 PHE H . 52956 1 260 . 1 . 1 143 143 PHE N N 15 124.813 0.000 . . . . . . . 143 PHE N . 52956 1 261 . 1 . 1 144 144 ASN H H 1 8.963 0.000 . . . . . . . 144 ASN H . 52956 1 262 . 1 . 1 144 144 ASN N N 15 123.607 0.000 . . . . . . . 144 ASN N . 52956 1 263 . 1 . 1 146 146 ALA H H 1 8.144 0.000 . . . . . . . 146 ALA H . 52956 1 264 . 1 . 1 146 146 ALA N N 15 123.542 0.000 . . . . . . . 146 ALA N . 52956 1 265 . 1 . 1 147 147 GLN H H 1 8.569 0.000 . . . . . . . 147 GLN H . 52956 1 266 . 1 . 1 147 147 GLN N N 15 118.817 0.000 . . . . . . . 147 GLN N . 52956 1 267 . 1 . 1 148 148 ARG H H 1 8.510 0.000 . . . . . . . 148 ARG H . 52956 1 268 . 1 . 1 148 148 ARG N N 15 121.919 0.000 . . . . . . . 148 ARG N . 52956 1 269 . 1 . 1 149 149 GLU H H 1 8.748 0.000 . . . . . . . 149 GLU H . 52956 1 270 . 1 . 1 149 149 GLU N N 15 120.215 0.000 . . . . . . . 149 GLU N . 52956 1 271 . 1 . 1 150 150 ALA H H 1 8.203 0.000 . . . . . . . 150 ALA H . 52956 1 272 . 1 . 1 150 150 ALA N N 15 120.439 0.000 . . . . . . . 150 ALA N . 52956 1 273 . 1 . 1 151 151 THR H H 1 7.579 0.000 . . . . . . . 151 THR H . 52956 1 274 . 1 . 1 151 151 THR N N 15 115.410 0.000 . . . . . . . 151 THR N . 52956 1 275 . 1 . 1 152 152 ALA H H 1 8.244 0.000 . . . . . . . 152 ALA H . 52956 1 276 . 1 . 1 152 152 ALA N N 15 123.374 0.000 . . . . . . . 152 ALA N . 52956 1 277 . 1 . 1 153 153 ASN H H 1 8.821 0.000 . . . . . . . 153 ASN H . 52956 1 278 . 1 . 1 153 153 ASN N N 15 117.656 0.000 . . . . . . . 153 ASN N . 52956 1 279 . 1 . 1 154 154 ALA H H 1 8.255 0.000 . . . . . . . 154 ALA H . 52956 1 280 . 1 . 1 154 154 ALA N N 15 122.763 0.000 . . . . . . . 154 ALA N . 52956 1 281 . 1 . 1 155 155 GLY H H 1 7.673 0.000 . . . . . . . 155 GLY H . 52956 1 282 . 1 . 1 155 155 GLY N N 15 102.764 0.000 . . . . . . . 155 GLY N . 52956 1 283 . 1 . 1 156 156 ARG H H 1 8.207 0.000 . . . . . . . 156 ARG H . 52956 1 284 . 1 . 1 156 156 ARG N N 15 122.951 0.000 . . . . . . . 156 ARG N . 52956 1 285 . 1 . 1 157 157 ILE H H 1 8.886 0.000 . . . . . . . 157 ILE H . 52956 1 286 . 1 . 1 157 157 ILE N N 15 123.639 0.000 . . . . . . . 157 ILE N . 52956 1 287 . 1 . 1 158 158 ALA H H 1 7.608 0.000 . . . . . . . 158 ALA H . 52956 1 288 . 1 . 1 158 158 ALA N N 15 120.350 0.000 . . . . . . . 158 ALA N . 52956 1 289 . 1 . 1 159 159 GLY H H 1 7.826 0.000 . . . . . . . 159 GLY H . 52956 1 290 . 1 . 1 159 159 GLY N N 15 104.695 0.000 . . . . . . . 159 GLY N . 52956 1 291 . 1 . 1 160 160 LEU H H 1 8.143 0.000 . . . . . . . 160 LEU H . 52956 1 292 . 1 . 1 160 160 LEU N N 15 119.532 0.000 . . . . . . . 160 LEU N . 52956 1 293 . 1 . 1 161 161 GLU H H 1 8.645 0.000 . . . . . . . 161 GLU H . 52956 1 294 . 1 . 1 161 161 GLU N N 15 121.840 0.000 . . . . . . . 161 GLU N . 52956 1 295 . 1 . 1 162 162 VAL H H 1 8.401 0.000 . . . . . . . 162 VAL H . 52956 1 296 . 1 . 1 162 162 VAL N N 15 127.803 0.000 . . . . . . . 162 VAL N . 52956 1 297 . 1 . 1 163 163 LEU H H 1 8.979 0.000 . . . . . . . 163 LEU H . 52956 1 298 . 1 . 1 163 163 LEU N N 15 128.944 0.000 . . . . . . . 163 LEU N . 52956 1 299 . 1 . 1 164 164 ARG H H 1 7.059 0.000 . . . . . . . 164 ARG H . 52956 1 300 . 1 . 1 164 164 ARG N N 15 112.428 0.000 . . . . . . . 164 ARG N . 52956 1 301 . 1 . 1 165 165 ILE H H 1 8.235 0.000 . . . . . . . 165 ILE H . 52956 1 302 . 1 . 1 165 165 ILE N N 15 124.425 0.000 . . . . . . . 165 ILE N . 52956 1 303 . 1 . 1 166 166 ILE H H 1 7.756 0.000 . . . . . . . 166 ILE H . 52956 1 304 . 1 . 1 166 166 ILE N N 15 118.370 0.000 . . . . . . . 166 ILE N . 52956 1 305 . 1 . 1 167 167 ASN H H 1 8.504 0.000 . . . . . . . 167 ASN H . 52956 1 306 . 1 . 1 167 167 ASN N N 15 117.651 0.000 . . . . . . . 167 ASN N . 52956 1 307 . 1 . 1 168 168 GLU H H 1 9.129 0.000 . . . . . . . 168 GLU H . 52956 1 308 . 1 . 1 168 168 GLU N N 15 122.068 0.000 . . . . . . . 168 GLU N . 52956 1 309 . 1 . 1 170 170 THR H H 1 6.714 0.000 . . . . . . . 170 THR H . 52956 1 310 . 1 . 1 170 170 THR N N 15 113.990 0.000 . . . . . . . 170 THR N . 52956 1 311 . 1 . 1 171 171 ALA H H 1 7.998 0.000 . . . . . . . 171 ALA H . 52956 1 312 . 1 . 1 171 171 ALA N N 15 122.818 0.000 . . . . . . . 171 ALA N . 52956 1 313 . 1 . 1 172 172 ALA H H 1 8.241 0.000 . . . . . . . 172 ALA H . 52956 1 314 . 1 . 1 172 172 ALA N N 15 118.000 0.000 . . . . . . . 172 ALA N . 52956 1 315 . 1 . 1 173 173 ALA H H 1 7.756 0.000 . . . . . . . 173 ALA H . 52956 1 316 . 1 . 1 173 173 ALA N N 15 118.370 0.000 . . . . . . . 173 ALA N . 52956 1 317 . 1 . 1 174 174 LEU H H 1 8.236 0.000 . . . . . . . 174 LEU H . 52956 1 318 . 1 . 1 174 174 LEU N N 15 118.445 0.000 . . . . . . . 174 LEU N . 52956 1 319 . 1 . 1 175 175 ALA H H 1 7.965 0.000 . . . . . . . 175 ALA H . 52956 1 320 . 1 . 1 175 175 ALA N N 15 122.255 0.000 . . . . . . . 175 ALA N . 52956 1 321 . 1 . 1 176 176 TYR H H 1 7.602 0.000 . . . . . . . 176 TYR H . 52956 1 322 . 1 . 1 176 176 TYR N N 15 114.422 0.000 . . . . . . . 176 TYR N . 52956 1 323 . 1 . 1 177 177 GLY H H 1 8.067 0.000 . . . . . . . 177 GLY H . 52956 1 324 . 1 . 1 177 177 GLY N N 15 108.580 0.000 . . . . . . . 177 GLY N . 52956 1 325 . 1 . 1 178 178 LEU H H 1 8.135 0.000 . . . . . . . 178 LEU H . 52956 1 326 . 1 . 1 178 178 LEU N N 15 116.576 0.000 . . . . . . . 178 LEU N . 52956 1 327 . 1 . 1 179 179 ASP H H 1 9.861 0.000 . . . . . . . 179 ASP H . 52956 1 328 . 1 . 1 179 179 ASP N N 15 113.740 0.000 . . . . . . . 179 ASP N . 52956 1 329 . 1 . 1 180 180 LYS H H 1 7.220 0.000 . . . . . . . 180 LYS H . 52956 1 330 . 1 . 1 180 180 LYS N N 15 117.079 0.000 . . . . . . . 180 LYS N . 52956 1 331 . 1 . 1 181 181 LYS H H 1 7.238 0.000 . . . . . . . 181 LYS H . 52956 1 332 . 1 . 1 181 181 LYS N N 15 118.834 0.000 . . . . . . . 181 LYS N . 52956 1 333 . 1 . 1 182 182 GLY H H 1 7.780 0.000 . . . . . . . 182 GLY H . 52956 1 334 . 1 . 1 182 182 GLY N N 15 106.586 0.000 . . . . . . . 182 GLY N . 52956 1 335 . 1 . 1 183 183 ASN H H 1 8.095 0.000 . . . . . . . 183 ASN H . 52956 1 336 . 1 . 1 183 183 ASN N N 15 118.769 0.000 . . . . . . . 183 ASN N . 52956 1 337 . 1 . 1 184 184 GLU H H 1 8.305 0.000 . . . . . . . 184 GLU H . 52956 1 338 . 1 . 1 184 184 GLU N N 15 119.797 0.000 . . . . . . . 184 GLU N . 52956 1 339 . 1 . 1 185 185 THR H H 1 9.794 0.000 . . . . . . . 185 THR H . 52956 1 340 . 1 . 1 185 185 THR N N 15 118.825 0.000 . . . . . . . 185 THR N . 52956 1 341 . 1 . 1 186 186 VAL H H 1 9.322 0.000 . . . . . . . 186 VAL H . 52956 1 342 . 1 . 1 186 186 VAL N N 15 124.481 0.000 . . . . . . . 186 VAL N . 52956 1 343 . 1 . 1 187 187 LEU H H 1 8.438 0.000 . . . . . . . 187 LEU H . 52956 1 344 . 1 . 1 187 187 LEU N N 15 126.559 0.000 . . . . . . . 187 LEU N . 52956 1 345 . 1 . 1 188 188 VAL H H 1 9.694 0.000 . . . . . . . 188 VAL H . 52956 1 346 . 1 . 1 188 188 VAL N N 15 128.182 0.000 . . . . . . . 188 VAL N . 52956 1 347 . 1 . 1 189 189 PHE H H 1 8.831 0.000 . . . . . . . 189 PHE H . 52956 1 348 . 1 . 1 189 189 PHE N N 15 132.665 0.000 . . . . . . . 189 PHE N . 52956 1 349 . 1 . 1 190 190 ASP H H 1 8.551 0.000 . . . . . . . 190 ASP H . 52956 1 350 . 1 . 1 190 190 ASP N N 15 127.773 0.000 . . . . . . . 190 ASP N . 52956 1 351 . 1 . 1 191 191 LEU H H 1 8.379 0.000 . . . . . . . 191 LEU H . 52956 1 352 . 1 . 1 191 191 LEU N N 15 126.954 0.000 . . . . . . . 191 LEU N . 52956 1 353 . 1 . 1 192 192 GLY H H 1 8.355 0.000 . . . . . . . 192 GLY H . 52956 1 354 . 1 . 1 192 192 GLY N N 15 112.098 0.000 . . . . . . . 192 GLY N . 52956 1 355 . 1 . 1 193 193 GLY H H 1 10.904 0.000 . . . . . . . 193 GLY H . 52956 1 356 . 1 . 1 193 193 GLY N N 15 110.484 0.000 . . . . . . . 193 GLY N . 52956 1 357 . 1 . 1 194 194 GLY H H 1 8.544 0.000 . . . . . . . 194 GLY H . 52956 1 358 . 1 . 1 194 194 GLY N N 15 106.101 0.000 . . . . . . . 194 GLY N . 52956 1 359 . 1 . 1 195 195 THR H H 1 8.596 0.000 . . . . . . . 195 THR H . 52956 1 360 . 1 . 1 195 195 THR N N 15 112.374 0.000 . . . . . . . 195 THR N . 52956 1 361 . 1 . 1 196 196 PHE H H 1 8.332 0.000 . . . . . . . 196 PHE H . 52956 1 362 . 1 . 1 196 196 PHE N N 15 122.127 0.000 . . . . . . . 196 PHE N . 52956 1 363 . 1 . 1 197 197 ASP H H 1 9.969 0.000 . . . . . . . 197 ASP H . 52956 1 364 . 1 . 1 197 197 ASP N N 15 127.818 0.000 . . . . . . . 197 ASP N . 52956 1 365 . 1 . 1 198 198 VAL H H 1 8.386 0.000 . . . . . . . 198 VAL H . 52956 1 366 . 1 . 1 198 198 VAL N N 15 122.775 0.000 . . . . . . . 198 VAL N . 52956 1 367 . 1 . 1 199 199 THR H H 1 8.236 0.000 . . . . . . . 199 THR H . 52956 1 368 . 1 . 1 199 199 THR N N 15 120.860 0.000 . . . . . . . 199 THR N . 52956 1 369 . 1 . 1 200 200 ILE H H 1 8.771 0.000 . . . . . . . 200 ILE H . 52956 1 370 . 1 . 1 200 200 ILE N N 15 125.895 0.000 . . . . . . . 200 ILE N . 52956 1 371 . 1 . 1 201 201 LEU H H 1 9.393 0.000 . . . . . . . 201 LEU H . 52956 1 372 . 1 . 1 201 201 LEU N N 15 128.422 0.000 . . . . . . . 201 LEU N . 52956 1 373 . 1 . 1 202 202 GLU H H 1 9.219 0.000 . . . . . . . 202 GLU H . 52956 1 374 . 1 . 1 202 202 GLU N N 15 123.675 0.000 . . . . . . . 202 GLU N . 52956 1 375 . 1 . 1 203 203 ILE H H 1 9.004 0.000 . . . . . . . 203 ILE H . 52956 1 376 . 1 . 1 203 203 ILE N N 15 126.938 0.000 . . . . . . . 203 ILE N . 52956 1 377 . 1 . 1 204 204 GLY H H 1 8.224 0.000 . . . . . . . 204 GLY H . 52956 1 378 . 1 . 1 204 204 GLY N N 15 113.914 0.000 . . . . . . . 204 GLY N . 52956 1 379 . 1 . 1 205 205 GLU H H 1 8.877 0.000 . . . . . . . 205 GLU H . 52956 1 380 . 1 . 1 205 205 GLU N N 15 123.363 0.000 . . . . . . . 205 GLU N . 52956 1 381 . 1 . 1 206 206 GLY H H 1 8.471 0.000 . . . . . . . 206 GLY H . 52956 1 382 . 1 . 1 206 206 GLY N N 15 107.703 0.000 . . . . . . . 206 GLY N . 52956 1 383 . 1 . 1 207 207 VAL H H 1 7.424 0.000 . . . . . . . 207 VAL H . 52956 1 384 . 1 . 1 207 207 VAL N N 15 118.282 0.000 . . . . . . . 207 VAL N . 52956 1 385 . 1 . 1 208 208 PHE H H 1 8.443 0.000 . . . . . . . 208 PHE H . 52956 1 386 . 1 . 1 208 208 PHE N N 15 123.214 0.000 . . . . . . . 208 PHE N . 52956 1 387 . 1 . 1 209 209 GLU H H 1 8.886 0.000 . . . . . . . 209 GLU H . 52956 1 388 . 1 . 1 209 209 GLU N N 15 123.639 0.000 . . . . . . . 209 GLU N . 52956 1 389 . 1 . 1 210 210 VAL H H 1 8.896 0.000 . . . . . . . 210 VAL H . 52956 1 390 . 1 . 1 210 210 VAL N N 15 126.602 0.000 . . . . . . . 210 VAL N . 52956 1 391 . 1 . 1 211 211 LYS H H 1 9.131 0.000 . . . . . . . 211 LYS H . 52956 1 392 . 1 . 1 211 211 LYS N N 15 127.658 0.000 . . . . . . . 211 LYS N . 52956 1 393 . 1 . 1 212 212 ALA H H 1 7.450 0.000 . . . . . . . 212 ALA H . 52956 1 394 . 1 . 1 212 212 ALA N N 15 116.154 0.000 . . . . . . . 212 ALA N . 52956 1 395 . 1 . 1 213 213 THR H H 1 8.380 0.000 . . . . . . . 213 THR H . 52956 1 396 . 1 . 1 213 213 THR N N 15 110.635 0.000 . . . . . . . 213 THR N . 52956 1 397 . 1 . 1 214 214 SER H H 1 9.096 0.000 . . . . . . . 214 SER H . 52956 1 398 . 1 . 1 214 214 SER N N 15 115.792 0.000 . . . . . . . 214 SER N . 52956 1 399 . 1 . 1 215 215 GLY H H 1 8.389 0.000 . . . . . . . 215 GLY H . 52956 1 400 . 1 . 1 215 215 GLY N N 15 108.880 0.000 . . . . . . . 215 GLY N . 52956 1 401 . 1 . 1 216 216 ASP H H 1 8.974 0.000 . . . . . . . 216 ASP H . 52956 1 402 . 1 . 1 216 216 ASP N N 15 118.705 0.000 . . . . . . . 216 ASP N . 52956 1 403 . 1 . 1 217 217 THR H H 1 8.536 0.000 . . . . . . . 217 THR H . 52956 1 404 . 1 . 1 217 217 THR N N 15 116.987 0.000 . . . . . . . 217 THR N . 52956 1 405 . 1 . 1 218 218 HIS H H 1 9.060 0.000 . . . . . . . 218 HIS H . 52956 1 406 . 1 . 1 218 218 HIS N N 15 122.037 0.000 . . . . . . . 218 HIS N . 52956 1 407 . 1 . 1 219 219 LEU H H 1 6.820 0.000 . . . . . . . 219 LEU H . 52956 1 408 . 1 . 1 219 219 LEU N N 15 124.585 0.000 . . . . . . . 219 LEU N . 52956 1 409 . 1 . 1 220 220 GLY H H 1 8.501 0.000 . . . . . . . 220 GLY H . 52956 1 410 . 1 . 1 220 220 GLY N N 15 106.144 0.000 . . . . . . . 220 GLY N . 52956 1 411 . 1 . 1 221 221 GLY H H 1 10.236 0.000 . . . . . . . 221 GLY H . 52956 1 412 . 1 . 1 221 221 GLY N N 15 106.421 0.000 . . . . . . . 221 GLY N . 52956 1 413 . 1 . 1 222 222 SER H H 1 10.381 0.000 . . . . . . . 222 SER H . 52956 1 414 . 1 . 1 222 222 SER N N 15 120.061 0.000 . . . . . . . 222 SER N . 52956 1 415 . 1 . 1 223 223 ASP H H 1 7.661 0.000 . . . . . . . 223 ASP H . 52956 1 416 . 1 . 1 223 223 ASP N N 15 119.987 0.000 . . . . . . . 223 ASP N . 52956 1 417 . 1 . 1 224 224 MET H H 1 7.445 0.000 . . . . . . . 224 MET H . 52956 1 418 . 1 . 1 224 224 MET N N 15 118.129 0.000 . . . . . . . 224 MET N . 52956 1 419 . 1 . 1 225 225 ASP H H 1 7.499 0.000 . . . . . . . 225 ASP H . 52956 1 420 . 1 . 1 225 225 ASP N N 15 120.220 0.000 . . . . . . . 225 ASP N . 52956 1 421 . 1 . 1 226 226 HIS H H 1 7.994 0.000 . . . . . . . 226 HIS H . 52956 1 422 . 1 . 1 226 226 HIS N N 15 116.840 0.000 . . . . . . . 226 HIS N . 52956 1 423 . 1 . 1 227 227 ALA H H 1 7.717 0.000 . . . . . . . 227 ALA H . 52956 1 424 . 1 . 1 227 227 ALA N N 15 121.670 0.000 . . . . . . . 227 ALA N . 52956 1 425 . 1 . 1 228 228 ILE H H 1 7.544 0.000 . . . . . . . 228 ILE H . 52956 1 426 . 1 . 1 228 228 ILE N N 15 117.745 0.000 . . . . . . . 228 ILE N . 52956 1 427 . 1 . 1 229 229 VAL H H 1 8.561 0.000 . . . . . . . 229 VAL H . 52956 1 428 . 1 . 1 229 229 VAL N N 15 120.196 0.000 . . . . . . . 229 VAL N . 52956 1 429 . 1 . 1 230 230 ASN H H 1 8.764 0.000 . . . . . . . 230 ASN H . 52956 1 430 . 1 . 1 230 230 ASN N N 15 116.204 0.000 . . . . . . . 230 ASN N . 52956 1 431 . 1 . 1 231 231 TRP H H 1 7.706 0.000 . . . . . . . 231 TRP H . 52956 1 432 . 1 . 1 231 231 TRP N N 15 122.734 0.000 . . . . . . . 231 TRP N . 52956 1 433 . 1 . 1 232 232 LEU H H 1 8.719 0.000 . . . . . . . 232 LEU H . 52956 1 434 . 1 . 1 232 232 LEU N N 15 118.251 0.000 . . . . . . . 232 LEU N . 52956 1 435 . 1 . 1 233 233 ALA H H 1 8.945 0.000 . . . . . . . 233 ALA H . 52956 1 436 . 1 . 1 233 233 ALA N N 15 118.392 0.000 . . . . . . . 233 ALA N . 52956 1 437 . 1 . 1 234 234 GLU H H 1 8.558 0.000 . . . . . . . 234 GLU H . 52956 1 438 . 1 . 1 234 234 GLU N N 15 122.101 0.000 . . . . . . . 234 GLU N . 52956 1 439 . 1 . 1 235 235 GLU H H 1 8.261 0.000 . . . . . . . 235 GLU H . 52956 1 440 . 1 . 1 235 235 GLU N N 15 119.046 0.000 . . . . . . . 235 GLU N . 52956 1 441 . 1 . 1 236 236 PHE H H 1 8.353 0.000 . . . . . . . 236 PHE H . 52956 1 442 . 1 . 1 236 236 PHE N N 15 120.953 0.000 . . . . . . . 236 PHE N . 52956 1 443 . 1 . 1 237 237 LYS H H 1 8.155 0.000 . . . . . . . 237 LYS H . 52956 1 444 . 1 . 1 237 237 LYS N N 15 119.660 0.000 . . . . . . . 237 LYS N . 52956 1 445 . 1 . 1 238 238 LYS H H 1 7.935 0.000 . . . . . . . 238 LYS H . 52956 1 446 . 1 . 1 238 238 LYS N N 15 120.455 0.000 . . . . . . . 238 LYS N . 52956 1 447 . 1 . 1 239 239 GLU H H 1 7.516 0.000 . . . . . . . 239 GLU H . 52956 1 448 . 1 . 1 239 239 GLU N N 15 115.802 0.000 . . . . . . . 239 GLU N . 52956 1 449 . 1 . 1 240 240 HIS H H 1 7.992 0.000 . . . . . . . 240 HIS H . 52956 1 450 . 1 . 1 240 240 HIS N N 15 111.627 0.000 . . . . . . . 240 HIS N . 52956 1 451 . 1 . 1 241 241 GLY H H 1 8.528 0.000 . . . . . . . 241 GLY H . 52956 1 452 . 1 . 1 241 241 GLY N N 15 108.486 0.000 . . . . . . . 241 GLY N . 52956 1 453 . 1 . 1 242 242 VAL H H 1 6.414 0.000 . . . . . . . 242 VAL H . 52956 1 454 . 1 . 1 242 242 VAL N N 15 116.300 0.000 . . . . . . . 242 VAL N . 52956 1 455 . 1 . 1 243 243 ASP H H 1 8.895 0.000 . . . . . . . 243 ASP H . 52956 1 456 . 1 . 1 243 243 ASP N N 15 125.776 0.000 . . . . . . . 243 ASP N . 52956 1 457 . 1 . 1 244 244 LEU H H 1 9.486 0.000 . . . . . . . 244 LEU H . 52956 1 458 . 1 . 1 244 244 LEU N N 15 126.466 0.000 . . . . . . . 244 LEU N . 52956 1 459 . 1 . 1 245 245 LYS H H 1 7.815 0.000 . . . . . . . 245 LYS H . 52956 1 460 . 1 . 1 245 245 LYS N N 15 110.510 0.000 . . . . . . . 245 LYS N . 52956 1 461 . 1 . 1 246 246 ALA H H 1 6.948 0.000 . . . . . . . 246 ALA H . 52956 1 462 . 1 . 1 246 246 ALA N N 15 117.989 0.000 . . . . . . . 246 ALA N . 52956 1 463 . 1 . 1 247 247 ASP H H 1 7.137 0.000 . . . . . . . 247 ASP H . 52956 1 464 . 1 . 1 247 247 ASP N N 15 119.661 0.000 . . . . . . . 247 ASP N . 52956 1 465 . 1 . 1 248 248 ARG H H 1 8.783 0.000 . . . . . . . 248 ARG H . 52956 1 466 . 1 . 1 248 248 ARG N N 15 124.203 0.000 . . . . . . . 248 ARG N . 52956 1 467 . 1 . 1 249 249 GLN H H 1 7.935 0.000 . . . . . . . 249 GLN H . 52956 1 468 . 1 . 1 249 249 GLN N N 15 115.584 0.000 . . . . . . . 249 GLN N . 52956 1 469 . 1 . 1 250 250 ALA H H 1 7.617 0.000 . . . . . . . 250 ALA H . 52956 1 470 . 1 . 1 250 250 ALA N N 15 122.655 0.000 . . . . . . . 250 ALA N . 52956 1 471 . 1 . 1 251 251 LEU H H 1 8.895 0.000 . . . . . . . 251 LEU H . 52956 1 472 . 1 . 1 251 251 LEU N N 15 119.289 0.000 . . . . . . . 251 LEU N . 52956 1 473 . 1 . 1 252 252 GLN H H 1 8.212 0.000 . . . . . . . 252 GLN H . 52956 1 474 . 1 . 1 252 252 GLN N N 15 118.021 0.000 . . . . . . . 252 GLN N . 52956 1 475 . 1 . 1 253 253 ARG H H 1 7.300 0.000 . . . . . . . 253 ARG H . 52956 1 476 . 1 . 1 253 253 ARG N N 15 116.197 0.000 . . . . . . . 253 ARG N . 52956 1 477 . 1 . 1 254 254 LEU H H 1 8.874 0.000 . . . . . . . 254 LEU H . 52956 1 478 . 1 . 1 254 254 LEU N N 15 121.343 0.000 . . . . . . . 254 LEU N . 52956 1 479 . 1 . 1 255 255 ILE H H 1 8.566 0.000 . . . . . . . 255 ILE H . 52956 1 480 . 1 . 1 255 255 ILE N N 15 119.317 0.000 . . . . . . . 255 ILE N . 52956 1 481 . 1 . 1 256 256 GLU H H 1 7.269 0.000 . . . . . . . 256 GLU H . 52956 1 482 . 1 . 1 256 256 GLU N N 15 121.194 0.000 . . . . . . . 256 GLU N . 52956 1 483 . 1 . 1 257 257 ALA H H 1 8.174 0.000 . . . . . . . 257 ALA H . 52956 1 484 . 1 . 1 257 257 ALA N N 15 120.474 0.000 . . . . . . . 257 ALA N . 52956 1 485 . 1 . 1 258 258 ALA H H 1 8.961 0.000 . . . . . . . 258 ALA H . 52956 1 486 . 1 . 1 258 258 ALA N N 15 121.654 0.000 . . . . . . . 258 ALA N . 52956 1 487 . 1 . 1 259 259 GLU H H 1 7.375 0.000 . . . . . . . 259 GLU H . 52956 1 488 . 1 . 1 259 259 GLU N N 15 116.926 0.000 . . . . . . . 259 GLU N . 52956 1 489 . 1 . 1 260 260 LYS H H 1 7.340 0.000 . . . . . . . 260 LYS H . 52956 1 490 . 1 . 1 260 260 LYS N N 15 116.652 0.000 . . . . . . . 260 LYS N . 52956 1 491 . 1 . 1 261 261 ALA H H 1 8.060 0.000 . . . . . . . 261 ALA H . 52956 1 492 . 1 . 1 261 261 ALA N N 15 121.160 0.000 . . . . . . . 261 ALA N . 52956 1 493 . 1 . 1 262 262 LYS H H 1 7.942 0.000 . . . . . . . 262 LYS H . 52956 1 494 . 1 . 1 262 262 LYS N N 15 117.067 0.000 . . . . . . . 262 LYS N . 52956 1 495 . 1 . 1 263 263 ILE H H 1 7.741 0.000 . . . . . . . 263 ILE H . 52956 1 496 . 1 . 1 263 263 ILE N N 15 117.946 0.000 . . . . . . . 263 ILE N . 52956 1 497 . 1 . 1 264 264 GLU H H 1 8.212 0.000 . . . . . . . 264 GLU H . 52956 1 498 . 1 . 1 264 264 GLU N N 15 123.304 0.000 . . . . . . . 264 GLU N . 52956 1 499 . 1 . 1 265 265 LEU H H 1 7.838 0.000 . . . . . . . 265 LEU H . 52956 1 500 . 1 . 1 265 265 LEU N N 15 117.530 0.000 . . . . . . . 265 LEU N . 52956 1 501 . 1 . 1 266 266 SER H H 1 8.030 0.000 . . . . . . . 266 SER H . 52956 1 502 . 1 . 1 266 266 SER N N 15 118.980 0.000 . . . . . . . 266 SER N . 52956 1 503 . 1 . 1 267 267 SER H H 1 8.178 0.000 . . . . . . . 267 SER H . 52956 1 504 . 1 . 1 267 267 SER N N 15 112.607 0.000 . . . . . . . 267 SER N . 52956 1 505 . 1 . 1 268 268 THR H H 1 8.070 0.000 . . . . . . . 268 THR H . 52956 1 506 . 1 . 1 268 268 THR N N 15 115.083 0.000 . . . . . . . 268 THR N . 52956 1 507 . 1 . 1 269 269 LEU H H 1 8.205 0.000 . . . . . . . 269 LEU H . 52956 1 508 . 1 . 1 269 269 LEU N N 15 117.470 0.000 . . . . . . . 269 LEU N . 52956 1 509 . 1 . 1 270 270 GLU H H 1 7.618 0.000 . . . . . . . 270 GLU H . 52956 1 510 . 1 . 1 270 270 GLU N N 15 116.597 0.000 . . . . . . . 270 GLU N . 52956 1 511 . 1 . 1 271 271 THR H H 1 8.444 0.000 . . . . . . . 271 THR H . 52956 1 512 . 1 . 1 271 271 THR N N 15 117.320 0.000 . . . . . . . 271 THR N . 52956 1 513 . 1 . 1 272 272 THR H H 1 8.211 0.000 . . . . . . . 272 THR H . 52956 1 514 . 1 . 1 272 272 THR N N 15 120.752 0.000 . . . . . . . 272 THR N . 52956 1 515 . 1 . 1 273 273 ILE H H 1 9.267 0.000 . . . . . . . 273 ILE H . 52956 1 516 . 1 . 1 273 273 ILE N N 15 130.327 0.000 . . . . . . . 273 ILE N . 52956 1 517 . 1 . 1 274 274 SER H H 1 8.594 0.000 . . . . . . . 274 SER H . 52956 1 518 . 1 . 1 274 274 SER N N 15 122.218 0.000 . . . . . . . 274 SER N . 52956 1 519 . 1 . 1 275 275 LEU H H 1 9.250 0.000 . . . . . . . 275 LEU H . 52956 1 520 . 1 . 1 275 275 LEU N N 15 126.518 0.000 . . . . . . . 275 LEU N . 52956 1 521 . 1 . 1 278 278 ILE H H 1 8.146 0.000 . . . . . . . 278 ILE H . 52956 1 522 . 1 . 1 278 278 ILE N N 15 119.500 0.000 . . . . . . . 278 ILE N . 52956 1 523 . 1 . 1 279 279 ALA H H 1 7.617 0.000 . . . . . . . 279 ALA H . 52956 1 524 . 1 . 1 279 279 ALA N N 15 119.950 0.000 . . . . . . . 279 ALA N . 52956 1 525 . 1 . 1 280 280 LEU H H 1 8.272 0.000 . . . . . . . 280 LEU H . 52956 1 526 . 1 . 1 280 280 LEU N N 15 119.645 0.000 . . . . . . . 280 LEU N . 52956 1 527 . 1 . 1 281 281 ASP H H 1 8.768 0.000 . . . . . . . 281 ASP H . 52956 1 528 . 1 . 1 281 281 ASP N N 15 124.006 0.000 . . . . . . . 281 ASP N . 52956 1 529 . 1 . 1 283 283 ALA H H 1 8.151 0.000 . . . . . . . 283 ALA H . 52956 1 530 . 1 . 1 283 283 ALA N N 15 118.636 0.000 . . . . . . . 283 ALA N . 52956 1 531 . 1 . 1 284 284 SER H H 1 8.151 0.000 . . . . . . . 284 SER H . 52956 1 532 . 1 . 1 284 284 SER N N 15 111.007 0.000 . . . . . . . 284 SER N . 52956 1 533 . 1 . 1 285 285 LYS H H 1 8.463 0.000 . . . . . . . 285 LYS H . 52956 1 534 . 1 . 1 285 285 LYS N N 15 117.599 0.000 . . . . . . . 285 LYS N . 52956 1 535 . 1 . 1 286 286 THR H H 1 7.355 0.000 . . . . . . . 286 THR H . 52956 1 536 . 1 . 1 286 286 THR N N 15 111.513 0.000 . . . . . . . 286 THR N . 52956 1 537 . 1 . 1 288 288 LEU H H 1 8.337 0.000 . . . . . . . 288 LEU H . 52956 1 538 . 1 . 1 288 288 LEU N N 15 120.768 0.000 . . . . . . . 288 LEU N . 52956 1 539 . 1 . 1 289 289 HIS H H 1 8.192 0.000 . . . . . . . 289 HIS H . 52956 1 540 . 1 . 1 289 289 HIS N N 15 119.142 0.000 . . . . . . . 289 HIS N . 52956 1 541 . 1 . 1 290 290 LEU H H 1 7.926 0.000 . . . . . . . 290 LEU H . 52956 1 542 . 1 . 1 290 290 LEU N N 15 124.703 0.000 . . . . . . . 290 LEU N . 52956 1 543 . 1 . 1 291 291 GLU H H 1 8.856 0.000 . . . . . . . 291 GLU H . 52956 1 544 . 1 . 1 291 291 GLU N N 15 130.279 0.000 . . . . . . . 291 GLU N . 52956 1 545 . 1 . 1 292 292 LYS H H 1 8.967 0.000 . . . . . . . 292 LYS H . 52956 1 546 . 1 . 1 292 292 LYS N N 15 126.034 0.000 . . . . . . . 292 LYS N . 52956 1 547 . 1 . 1 293 293 LYS H H 1 8.663 0.000 . . . . . . . 293 LYS H . 52956 1 548 . 1 . 1 293 293 LYS N N 15 124.539 0.000 . . . . . . . 293 LYS N . 52956 1 549 . 1 . 1 294 294 LEU H H 1 9.003 0.000 . . . . . . . 294 LEU H . 52956 1 550 . 1 . 1 294 294 LEU N N 15 127.673 0.000 . . . . . . . 294 LEU N . 52956 1 551 . 1 . 1 295 295 THR H H 1 8.031 0.000 . . . . . . . 295 THR H . 52956 1 552 . 1 . 1 295 295 THR N N 15 115.694 0.000 . . . . . . . 295 THR N . 52956 1 553 . 1 . 1 296 296 ARG H H 1 8.905 0.000 . . . . . . . 296 ARG H . 52956 1 554 . 1 . 1 296 296 ARG N N 15 122.625 0.000 . . . . . . . 296 ARG N . 52956 1 555 . 1 . 1 297 297 ALA H H 1 8.391 0.000 . . . . . . . 297 ALA H . 52956 1 556 . 1 . 1 297 297 ALA N N 15 119.383 0.000 . . . . . . . 297 ALA N . 52956 1 557 . 1 . 1 298 298 LYS H H 1 8.037 0.000 . . . . . . . 298 LYS H . 52956 1 558 . 1 . 1 298 298 LYS N N 15 120.519 0.000 . . . . . . . 298 LYS N . 52956 1 559 . 1 . 1 299 299 PHE H H 1 8.416 0.000 . . . . . . . 299 PHE H . 52956 1 560 . 1 . 1 299 299 PHE N N 15 120.041 0.000 . . . . . . . 299 PHE N . 52956 1 561 . 1 . 1 300 300 GLU H H 1 8.662 0.000 . . . . . . . 300 GLU H . 52956 1 562 . 1 . 1 300 300 GLU N N 15 116.383 0.000 . . . . . . . 300 GLU N . 52956 1 563 . 1 . 1 301 301 GLU H H 1 7.571 0.000 . . . . . . . 301 GLU H . 52956 1 564 . 1 . 1 301 301 GLU N N 15 120.074 0.000 . . . . . . . 301 GLU N . 52956 1 565 . 1 . 1 302 302 LEU H H 1 8.176 0.000 . . . . . . . 302 LEU H . 52956 1 566 . 1 . 1 302 302 LEU N N 15 118.788 0.000 . . . . . . . 302 LEU N . 52956 1 567 . 1 . 1 303 303 ILE H H 1 7.377 0.000 . . . . . . . 303 ILE H . 52956 1 568 . 1 . 1 303 303 ILE N N 15 104.878 0.000 . . . . . . . 303 ILE N . 52956 1 569 . 1 . 1 304 304 GLN H H 1 7.457 0.000 . . . . . . . 304 GLN H . 52956 1 570 . 1 . 1 304 304 GLN N N 15 125.690 0.000 . . . . . . . 304 GLN N . 52956 1 571 . 1 . 1 306 306 LEU H H 1 7.124 0.000 . . . . . . . 306 LEU H . 52956 1 572 . 1 . 1 306 306 LEU N N 15 114.462 0.000 . . . . . . . 306 LEU N . 52956 1 573 . 1 . 1 307 307 LEU H H 1 7.761 0.000 . . . . . . . 307 LEU H . 52956 1 574 . 1 . 1 307 307 LEU N N 15 116.601 0.000 . . . . . . . 307 LEU N . 52956 1 575 . 1 . 1 308 308 LYS H H 1 7.908 0.000 . . . . . . . 308 LYS H . 52956 1 576 . 1 . 1 308 308 LYS N N 15 116.919 0.000 . . . . . . . 308 LYS N . 52956 1 577 . 1 . 1 309 309 ARG H H 1 7.173 0.000 . . . . . . . 309 ARG H . 52956 1 578 . 1 . 1 309 309 ARG N N 15 117.676 0.000 . . . . . . . 309 ARG N . 52956 1 579 . 1 . 1 310 310 LEU H H 1 7.229 0.000 . . . . . . . 310 LEU H . 52956 1 580 . 1 . 1 310 310 LEU N N 15 116.454 0.000 . . . . . . . 310 LEU N . 52956 1 581 . 1 . 1 311 311 ARG H H 1 6.955 0.000 . . . . . . . 311 ARG H . 52956 1 582 . 1 . 1 311 311 ARG N N 15 112.898 0.000 . . . . . . . 311 ARG N . 52956 1 583 . 1 . 1 312 312 GLY H H 1 8.283 0.000 . . . . . . . 312 GLY H . 52956 1 584 . 1 . 1 312 312 GLY N N 15 105.241 0.000 . . . . . . . 312 GLY N . 52956 1 585 . 1 . 1 314 314 VAL H H 1 7.019 0.000 . . . . . . . 314 VAL H . 52956 1 586 . 1 . 1 314 314 VAL N N 15 115.894 0.000 . . . . . . . 314 VAL N . 52956 1 587 . 1 . 1 315 315 GLU H H 1 8.059 0.000 . . . . . . . 315 GLU H . 52956 1 588 . 1 . 1 315 315 GLU N N 15 116.930 0.000 . . . . . . . 315 GLU N . 52956 1 589 . 1 . 1 316 316 GLN H H 1 8.796 0.000 . . . . . . . 316 GLN H . 52956 1 590 . 1 . 1 316 316 GLN N N 15 118.969 0.000 . . . . . . . 316 GLN N . 52956 1 591 . 1 . 1 317 317 ALA H H 1 7.859 0.000 . . . . . . . 317 ALA H . 52956 1 592 . 1 . 1 317 317 ALA N N 15 120.550 0.000 . . . . . . . 317 ALA N . 52956 1 593 . 1 . 1 318 318 LEU H H 1 7.580 0.000 . . . . . . . 318 LEU H . 52956 1 594 . 1 . 1 318 318 LEU N N 15 115.095 0.000 . . . . . . . 318 LEU N . 52956 1 595 . 1 . 1 319 319 LYS H H 1 7.857 0.000 . . . . . . . 319 LYS H . 52956 1 596 . 1 . 1 319 319 LYS N N 15 118.810 0.000 . . . . . . . 319 LYS N . 52956 1 597 . 1 . 1 320 320 ASP H H 1 8.861 0.000 . . . . . . . 320 ASP H . 52956 1 598 . 1 . 1 320 320 ASP N N 15 121.806 0.000 . . . . . . . 320 ASP N . 52956 1 599 . 1 . 1 321 321 ALA H H 1 7.891 0.000 . . . . . . . 321 ALA H . 52956 1 600 . 1 . 1 321 321 ALA N N 15 118.623 0.000 . . . . . . . 321 ALA N . 52956 1 601 . 1 . 1 322 322 GLY H H 1 7.960 0.000 . . . . . . . 322 GLY H . 52956 1 602 . 1 . 1 322 322 GLY N N 15 108.940 0.000 . . . . . . . 322 GLY N . 52956 1 603 . 1 . 1 323 323 LEU H H 1 8.100 0.000 . . . . . . . 323 LEU H . 52956 1 604 . 1 . 1 323 323 LEU N N 15 118.158 0.000 . . . . . . . 323 LEU N . 52956 1 605 . 1 . 1 324 324 THR H H 1 7.959 0.000 . . . . . . . 324 THR H . 52956 1 606 . 1 . 1 324 324 THR N N 15 110.178 0.000 . . . . . . . 324 THR N . 52956 1 607 . 1 . 1 326 326 ALA H H 1 7.588 0.000 . . . . . . . 326 ALA H . 52956 1 608 . 1 . 1 326 326 ALA N N 15 115.862 0.000 . . . . . . . 326 ALA N . 52956 1 609 . 1 . 1 327 327 GLN H H 1 7.744 0.000 . . . . . . . 327 GLN H . 52956 1 610 . 1 . 1 327 327 GLN N N 15 114.797 0.000 . . . . . . . 327 GLN N . 52956 1 611 . 1 . 1 328 328 ILE H H 1 7.237 0.000 . . . . . . . 328 ILE H . 52956 1 612 . 1 . 1 328 328 ILE N N 15 118.930 0.000 . . . . . . . 328 ILE N . 52956 1 613 . 1 . 1 329 329 ASP H H 1 8.692 0.000 . . . . . . . 329 ASP H . 52956 1 614 . 1 . 1 329 329 ASP N N 15 125.909 0.000 . . . . . . . 329 ASP N . 52956 1 615 . 1 . 1 330 330 GLU H H 1 7.295 0.000 . . . . . . . 330 GLU H . 52956 1 616 . 1 . 1 330 330 GLU N N 15 113.820 0.000 . . . . . . . 330 GLU N . 52956 1 617 . 1 . 1 331 331 VAL H H 1 8.863 0.000 . . . . . . . 331 VAL H . 52956 1 618 . 1 . 1 331 331 VAL N N 15 123.173 0.000 . . . . . . . 331 VAL N . 52956 1 619 . 1 . 1 332 332 ILE H H 1 8.570 0.000 . . . . . . . 332 ILE H . 52956 1 620 . 1 . 1 332 332 ILE N N 15 121.039 0.000 . . . . . . . 332 ILE N . 52956 1 621 . 1 . 1 333 333 LEU H H 1 7.698 0.000 . . . . . . . 333 LEU H . 52956 1 622 . 1 . 1 333 333 LEU N N 15 121.701 0.000 . . . . . . . 333 LEU N . 52956 1 623 . 1 . 1 334 334 VAL H H 1 9.101 0.000 . . . . . . . 334 VAL H . 52956 1 624 . 1 . 1 334 334 VAL N N 15 123.948 0.000 . . . . . . . 334 VAL N . 52956 1 625 . 1 . 1 335 335 GLY H H 1 7.359 0.000 . . . . . . . 335 GLY H . 52956 1 626 . 1 . 1 335 335 GLY N N 15 110.330 0.000 . . . . . . . 335 GLY N . 52956 1 627 . 1 . 1 336 336 GLY H H 1 10.227 0.000 . . . . . . . 336 GLY H . 52956 1 628 . 1 . 1 336 336 GLY N N 15 114.909 0.000 . . . . . . . 336 GLY N . 52956 1 629 . 1 . 1 337 337 ALA H H 1 7.127 0.000 . . . . . . . 337 ALA H . 52956 1 630 . 1 . 1 337 337 ALA N N 15 116.691 0.000 . . . . . . . 337 ALA N . 52956 1 631 . 1 . 1 338 338 THR H H 1 7.759 0.000 . . . . . . . 338 THR H . 52956 1 632 . 1 . 1 338 338 THR N N 15 106.822 0.000 . . . . . . . 338 THR N . 52956 1 633 . 1 . 1 339 339 ARG H H 1 6.874 0.000 . . . . . . . 339 ARG H . 52956 1 634 . 1 . 1 339 339 ARG N N 15 116.638 0.000 . . . . . . . 339 ARG N . 52956 1 635 . 1 . 1 340 340 VAL H H 1 6.795 0.000 . . . . . . . 340 VAL H . 52956 1 636 . 1 . 1 340 340 VAL N N 15 118.706 0.000 . . . . . . . 340 VAL N . 52956 1 637 . 1 . 1 342 342 ALA H H 1 9.667 0.000 . . . . . . . 342 ALA H . 52956 1 638 . 1 . 1 342 342 ALA N N 15 119.193 0.000 . . . . . . . 342 ALA N . 52956 1 639 . 1 . 1 343 343 VAL H H 1 7.470 0.000 . . . . . . . 343 VAL H . 52956 1 640 . 1 . 1 343 343 VAL N N 15 116.376 0.000 . . . . . . . 343 VAL N . 52956 1 641 . 1 . 1 344 344 GLN H H 1 7.142 0.000 . . . . . . . 344 GLN H . 52956 1 642 . 1 . 1 344 344 GLN N N 15 117.434 0.000 . . . . . . . 344 GLN N . 52956 1 643 . 1 . 1 345 345 GLN H H 1 7.945 0.000 . . . . . . . 345 GLN H . 52956 1 644 . 1 . 1 345 345 GLN N N 15 116.733 0.000 . . . . . . . 345 GLN N . 52956 1 645 . 1 . 1 346 346 VAL H H 1 7.363 0.000 . . . . . . . 346 VAL H . 52956 1 646 . 1 . 1 346 346 VAL N N 15 119.812 0.000 . . . . . . . 346 VAL N . 52956 1 647 . 1 . 1 347 347 VAL H H 1 7.331 0.000 . . . . . . . 347 VAL H . 52956 1 648 . 1 . 1 347 347 VAL N N 15 117.492 0.000 . . . . . . . 347 VAL N . 52956 1 649 . 1 . 1 348 348 ARG H H 1 7.671 0.000 . . . . . . . 348 ARG H . 52956 1 650 . 1 . 1 348 348 ARG N N 15 118.931 0.000 . . . . . . . 348 ARG N . 52956 1 651 . 1 . 1 349 349 GLU H H 1 8.168 0.000 . . . . . . . 349 GLU H . 52956 1 652 . 1 . 1 349 349 GLU N N 15 119.570 0.000 . . . . . . . 349 GLU N . 52956 1 653 . 1 . 1 350 350 LEU H H 1 8.395 0.000 . . . . . . . 350 LEU H . 52956 1 654 . 1 . 1 350 350 LEU N N 15 117.088 0.000 . . . . . . . 350 LEU N . 52956 1 655 . 1 . 1 351 351 LEU H H 1 7.943 0.000 . . . . . . . 351 LEU H . 52956 1 656 . 1 . 1 351 351 LEU N N 15 114.068 0.000 . . . . . . . 351 LEU N . 52956 1 657 . 1 . 1 352 352 GLY H H 1 8.016 0.000 . . . . . . . 352 GLY H . 52956 1 658 . 1 . 1 352 352 GLY N N 15 108.633 0.000 . . . . . . . 352 GLY N . 52956 1 659 . 1 . 1 353 353 LYS H H 1 6.906 0.000 . . . . . . . 353 LYS H . 52956 1 660 . 1 . 1 353 353 LYS N N 15 114.824 0.000 . . . . . . . 353 LYS N . 52956 1 661 . 1 . 1 354 354 GLU H H 1 8.404 0.000 . . . . . . . 354 GLU H . 52956 1 662 . 1 . 1 354 354 GLU N N 15 120.856 0.000 . . . . . . . 354 GLU N . 52956 1 663 . 1 . 1 356 356 ASN H H 1 8.930 0.000 . . . . . . . 356 ASN H . 52956 1 664 . 1 . 1 356 356 ASN N N 15 122.079 0.000 . . . . . . . 356 ASN N . 52956 1 665 . 1 . 1 357 357 ARG H H 1 8.734 0.000 . . . . . . . 357 ARG H . 52956 1 666 . 1 . 1 357 357 ARG N N 15 122.519 0.000 . . . . . . . 357 ARG N . 52956 1 667 . 1 . 1 358 358 SER H H 1 8.275 0.000 . . . . . . . 358 SER H . 52956 1 668 . 1 . 1 358 358 SER N N 15 116.120 0.000 . . . . . . . 358 SER N . 52956 1 669 . 1 . 1 359 359 VAL H H 1 7.502 0.000 . . . . . . . 359 VAL H . 52956 1 670 . 1 . 1 359 359 VAL N N 15 120.908 0.000 . . . . . . . 359 VAL N . 52956 1 671 . 1 . 1 360 360 ASN H H 1 8.468 0.000 . . . . . . . 360 ASN H . 52956 1 672 . 1 . 1 360 360 ASN N N 15 124.347 0.000 . . . . . . . 360 ASN N . 52956 1 673 . 1 . 1 362 362 ASP H H 1 9.326 0.000 . . . . . . . 362 ASP H . 52956 1 674 . 1 . 1 362 362 ASP N N 15 117.430 0.000 . . . . . . . 362 ASP N . 52956 1 675 . 1 . 1 363 363 GLU H H 1 7.608 0.000 . . . . . . . 363 GLU H . 52956 1 676 . 1 . 1 363 363 GLU N N 15 118.639 0.000 . . . . . . . 363 GLU N . 52956 1 677 . 1 . 1 364 364 VAL H H 1 6.931 0.000 . . . . . . . 364 VAL H . 52956 1 678 . 1 . 1 364 364 VAL N N 15 116.293 0.000 . . . . . . . 364 VAL N . 52956 1 679 . 1 . 1 365 365 VAL H H 1 7.097 0.000 . . . . . . . 365 VAL H . 52956 1 680 . 1 . 1 365 365 VAL N N 15 121.281 0.000 . . . . . . . 365 VAL N . 52956 1 681 . 1 . 1 366 366 ALA H H 1 7.838 0.000 . . . . . . . 366 ALA H . 52956 1 682 . 1 . 1 366 366 ALA N N 15 120.569 0.000 . . . . . . . 366 ALA N . 52956 1 683 . 1 . 1 367 367 MET H H 1 7.779 0.000 . . . . . . . 367 MET H . 52956 1 684 . 1 . 1 367 367 MET N N 15 113.327 0.000 . . . . . . . 367 MET N . 52956 1 685 . 1 . 1 368 368 GLY H H 1 8.142 0.000 . . . . . . . 368 GLY H . 52956 1 686 . 1 . 1 368 368 GLY N N 15 105.808 0.000 . . . . . . . 368 GLY N . 52956 1 687 . 1 . 1 369 369 ALA H H 1 8.068 0.000 . . . . . . . 369 ALA H . 52956 1 688 . 1 . 1 369 369 ALA N N 15 123.226 0.000 . . . . . . . 369 ALA N . 52956 1 689 . 1 . 1 370 370 ALA H H 1 8.097 0.000 . . . . . . . 370 ALA H . 52956 1 690 . 1 . 1 370 370 ALA N N 15 121.754 0.000 . . . . . . . 370 ALA N . 52956 1 691 . 1 . 1 371 371 ILE H H 1 7.699 0.000 . . . . . . . 371 ILE H . 52956 1 692 . 1 . 1 371 371 ILE N N 15 119.668 0.000 . . . . . . . 371 ILE N . 52956 1 693 . 1 . 1 372 372 GLN H H 1 8.021 0.000 . . . . . . . 372 GLN H . 52956 1 694 . 1 . 1 372 372 GLN N N 15 118.152 0.000 . . . . . . . 372 GLN N . 52956 1 695 . 1 . 1 373 373 ALA H H 1 8.430 0.000 . . . . . . . 373 ALA H . 52956 1 696 . 1 . 1 373 373 ALA N N 15 121.560 0.000 . . . . . . . 373 ALA N . 52956 1 697 . 1 . 1 374 374 GLY H H 1 8.012 0.000 . . . . . . . 374 GLY H . 52956 1 698 . 1 . 1 374 374 GLY N N 15 103.652 0.000 . . . . . . . 374 GLY N . 52956 1 699 . 1 . 1 375 375 VAL H H 1 8.041 0.000 . . . . . . . 375 VAL H . 52956 1 700 . 1 . 1 375 375 VAL N N 15 121.984 0.000 . . . . . . . 375 VAL N . 52956 1 701 . 1 . 1 376 376 LEU H H 1 7.746 0.000 . . . . . . . 376 LEU H . 52956 1 702 . 1 . 1 376 376 LEU N N 15 119.312 0.000 . . . . . . . 376 LEU N . 52956 1 703 . 1 . 1 377 377 MET H H 1 7.713 0.000 . . . . . . . 377 MET H . 52956 1 704 . 1 . 1 377 377 MET N N 15 115.985 0.000 . . . . . . . 377 MET N . 52956 1 705 . 1 . 1 378 378 GLY H H 1 7.745 0.000 . . . . . . . 378 GLY H . 52956 1 706 . 1 . 1 378 378 GLY N N 15 107.049 0.000 . . . . . . . 378 GLY N . 52956 1 707 . 1 . 1 379 379 GLU H H 1 8.002 0.000 . . . . . . . 379 GLU H . 52956 1 708 . 1 . 1 379 379 GLU N N 15 119.763 0.000 . . . . . . . 379 GLU N . 52956 1 709 . 1 . 1 380 380 VAL H H 1 7.868 0.000 . . . . . . . 380 VAL H . 52956 1 710 . 1 . 1 380 380 VAL N N 15 120.535 0.000 . . . . . . . 380 VAL N . 52956 1 711 . 1 . 1 381 381 ARG H H 1 8.317 0.000 . . . . . . . 381 ARG H . 52956 1 712 . 1 . 1 381 381 ARG N N 15 125.426 0.000 . . . . . . . 381 ARG N . 52956 1 713 . 1 . 1 382 382 ASP H H 1 7.988 0.000 . . . . . . . 382 ASP H . 52956 1 714 . 1 . 1 382 382 ASP N N 15 127.608 0.000 . . . . . . . 382 ASP N . 52956 1 stop_ save_