data_16841 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16841 _Entry.Title ; Chemical Shift Assignments of Fibronectin 6FnI1-2FnII7FnI ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-06 _Entry.Accession_date 2010-04-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details '6FnI and 7FnI are fibronectin type I domains, 1-2 FnII are fibronectin typeII domain' _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 Michele Erat . C. . 16841 2 Iain Campbell . D. . 16841 3 Ioannis Vakonakis . . . 16841 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'IDC group, Department of Biochemistry, University of Oxford' . 16841 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16841 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 498 16841 '15N chemical shifts' 186 16841 '1H chemical shifts' 985 16841 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-10-26 2010-04-06 update BMRB 'update entry citation' 16841 1 . . 2010-09-08 2010-04-06 original author 'original release' 16841 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4830 'The Hairpin Structure of the (6)F1(1)F2(2)F2 Fragment from Human Fibronectin Enhances Gelatin Binding' 16841 PDB 1E88 'The hairpin structure of the (6)F1(1)F2(2)F2 fragment from human fibronectin enhances gelatin binding.' 16841 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16841 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20739283 _Citation.Full_citation . _Citation.Title 'Implications for Collagen Binding from the Crystallographic Structure of Fibronectin 6FnI1-2FnII7FnI.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 285 _Citation.Journal_issue 44 _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 33764 _Citation.Page_last 33770 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michele Erat . C. . 16841 1 2 Ulrich Schwarz-Linek . . . 16841 1 3 Andrew Pickford . R. . 16841 1 4 Richard Farndale . W. . 16841 1 5 Iain Campbell . D. . 16841 1 6 Ioannis Vakonakis . . . 16841 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16841 _Assembly.ID 1 _Assembly.Name 'Fibronectin 6FnI1-2FnII7FnI' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 23961.4 _Assembly.Enzyme_commission_number . _Assembly.Details 'N-acetylglucosamine N-linked to N430 of QUAD' _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 'Fibronectin 6FnI1-2FnII7FnI' 1 $QUAD A . yes native no no . . . 16841 1 2 glycan 2 $NAG B . no native no no . . . 16841 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 4 4 SG . 1 . 1 CYS 31 31 SG . . 308 CYS . . . 335 CYS . 16841 1 2 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 38 38 SG . . 333 CYS . . . 342 CYS . 16841 1 3 disulfide single . 1 . 1 CYS 56 56 SG . 1 . 1 CYS 82 82 SG . . 360 CYS . . . 386 CYS . 16841 1 4 disulfide single . 1 . 1 CYS 70 70 SG . 1 . 1 CYS 97 97 SG . . 374 CYS . . . 401 CYS . 16841 1 5 disulfide single . 1 . 1 CYS 116 116 SG . 1 . 1 CYS 142 142 SG . . 420 CYS . . . 446 CYS . 16841 1 6 disulfide single . 1 . 1 CYS 130 130 SG . 1 . 1 CYS 157 157 SG . . 434 CYS . . . 461 CYS . 16841 1 7 disulfide single . 1 . 1 CYS 166 166 SG . 1 . 1 CYS 194 194 SG . . 470 CYS . . . 498 CYS . 16841 1 8 disulfide single . 1 . 1 CYS 166 166 SG . 1 . 1 CYS 194 194 SG . . 496 CYS . . . 508 CYS . 16841 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 2 2 NAG 1 1 HO1 . . NAG HO1 16841 1 . . 2 2 NAG 1 1 O1 . . NAG O1 16841 1 . . 1 1 ASN 126 126 HD21 . 430 ASN HD21 16841 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_QUAD _Entity.Sf_category entity _Entity.Sf_framecode QUAD _Entity.Entry_ID 16841 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name QUAD _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 ; YGDCVTDSGVVYSVGMQWLK TQGNKQMLCTCLGNGVSCQE TAVTQTYGGNSNGEPCVLPF TYNGRTFYSCTTEGRQDGHL WCSTTSNYEQDQKYSFCTDH TVLVQTRGGNSNGALCHFPF LYNNHNYTDCTSEGRRDNMK WCGTTQNYDADQKFGFCPMA AHEEICTTNEGVMYRIGDQW DKQHDMGHMMRCTCVGNGRG EWTCIAYSQLR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N430 is glycosylated with a single N-acetylglucosamine' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 211 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 6FnI1-2FnII7FnI _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 23708.1 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1E88 . "Solution Structure Of 6f11f22f2, A Compact Three-Module Fragment Of The Gelatin-Binding Domain Of Human Fibronectin" . . . . . 75.83 160 99.38 99.38 8.50e-112 . . . . 16841 1 2 no PDB 1E8B . "Solution Structure Of 6f11f22f2, A Compact Three-Module Fragment Of The Gelatin-Binding Domain Of Human Fibronectin" . . . . . 75.83 160 99.38 99.38 8.50e-112 . . . . 16841 1 3 no PDB 3M7P . "Fibronectin Fragment" . . . . . 100.00 308 99.53 99.53 5.96e-151 . . . . 16841 1 4 no PDB 3MQL . "Crystal Structure Of The Fibronectin 6fni1-2fnii7fni Fragment" . . . . . 100.00 220 100.00 100.00 1.48e-154 . . . . 16841 1 5 no DBJ BAM95188 . "fusion proteins of collagen binding domain and bone morphogenetic protein 4 protein [Expression vector pBac-IE2-HsCBDBMP4-Puro]" . . . . . 100.00 400 99.53 99.53 1.43e-153 . . . . 16841 1 6 no GB AAG30571 . "fibronectin [Homo sapiens]" . . . . . 97.16 205 99.51 99.51 9.57e-149 . . . . 16841 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Gelatin/collagen binding' 16841 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 1 305 TYR . 16841 1 2 306 GLY . 16841 1 3 307 ASP . 16841 1 4 308 CYS . 16841 1 5 309 VAL . 16841 1 6 310 THR . 16841 1 7 311 ASP . 16841 1 8 312 SER . 16841 1 9 313 GLY . 16841 1 10 314 VAL . 16841 1 11 315 VAL . 16841 1 12 316 TYR . 16841 1 13 317 SER . 16841 1 14 318 VAL . 16841 1 15 319 GLY . 16841 1 16 320 MET . 16841 1 17 321 GLN . 16841 1 18 322 TRP . 16841 1 19 323 LEU . 16841 1 20 324 LYS . 16841 1 21 325 THR . 16841 1 22 326 GLN . 16841 1 23 327 GLY . 16841 1 24 328 ASN . 16841 1 25 329 LYS . 16841 1 26 330 GLN . 16841 1 27 331 MET . 16841 1 28 332 LEU . 16841 1 29 333 CYS . 16841 1 30 334 THR . 16841 1 31 335 CYS . 16841 1 32 336 LEU . 16841 1 33 337 GLY . 16841 1 34 338 ASN . 16841 1 35 339 GLY . 16841 1 36 340 VAL . 16841 1 37 341 SER . 16841 1 38 342 CYS . 16841 1 39 343 GLN . 16841 1 40 344 GLU . 16841 1 41 345 THR . 16841 1 42 346 ALA . 16841 1 43 347 VAL . 16841 1 44 348 THR . 16841 1 45 349 GLN . 16841 1 46 350 THR . 16841 1 47 351 TYR . 16841 1 48 352 GLY . 16841 1 49 353 GLY . 16841 1 50 354 ASN . 16841 1 51 355 SER . 16841 1 52 356 ASN . 16841 1 53 357 GLY . 16841 1 54 358 GLU . 16841 1 55 359 PRO . 16841 1 56 360 CYS . 16841 1 57 361 VAL . 16841 1 58 362 LEU . 16841 1 59 363 PRO . 16841 1 60 364 PHE . 16841 1 61 365 THR . 16841 1 62 366 TYR . 16841 1 63 367 ASN . 16841 1 64 368 GLY . 16841 1 65 369 ARG . 16841 1 66 370 THR . 16841 1 67 371 PHE . 16841 1 68 372 TYR . 16841 1 69 373 SER . 16841 1 70 374 CYS . 16841 1 71 375 THR . 16841 1 72 376 THR . 16841 1 73 377 GLU . 16841 1 74 378 GLY . 16841 1 75 379 ARG . 16841 1 76 380 GLN . 16841 1 77 381 ASP . 16841 1 78 382 GLY . 16841 1 79 383 HIS . 16841 1 80 384 LEU . 16841 1 81 385 TRP . 16841 1 82 386 CYS . 16841 1 83 387 SER . 16841 1 84 388 THR . 16841 1 85 389 THR . 16841 1 86 390 SER . 16841 1 87 391 ASN . 16841 1 88 392 TYR . 16841 1 89 393 GLU . 16841 1 90 394 GLN . 16841 1 91 395 ASP . 16841 1 92 396 GLN . 16841 1 93 397 LYS . 16841 1 94 398 TYR . 16841 1 95 399 SER . 16841 1 96 400 PHE . 16841 1 97 401 CYS . 16841 1 98 402 THR . 16841 1 99 403 ASP . 16841 1 100 404 HIS . 16841 1 101 405 THR . 16841 1 102 406 VAL . 16841 1 103 407 LEU . 16841 1 104 408 VAL . 16841 1 105 409 GLN . 16841 1 106 410 THR . 16841 1 107 411 ARG . 16841 1 108 412 GLY . 16841 1 109 413 GLY . 16841 1 110 414 ASN . 16841 1 111 415 SER . 16841 1 112 416 ASN . 16841 1 113 417 GLY . 16841 1 114 418 ALA . 16841 1 115 419 LEU . 16841 1 116 420 CYS . 16841 1 117 421 HIS . 16841 1 118 422 PHE . 16841 1 119 423 PRO . 16841 1 120 424 PHE . 16841 1 121 425 LEU . 16841 1 122 426 TYR . 16841 1 123 427 ASN . 16841 1 124 428 ASN . 16841 1 125 429 HIS . 16841 1 126 430 ASN . 16841 1 127 431 TYR . 16841 1 128 432 THR . 16841 1 129 433 ASP . 16841 1 130 434 CYS . 16841 1 131 435 THR . 16841 1 132 436 SER . 16841 1 133 437 GLU . 16841 1 134 438 GLY . 16841 1 135 439 ARG . 16841 1 136 440 ARG . 16841 1 137 441 ASP . 16841 1 138 442 ASN . 16841 1 139 443 MET . 16841 1 140 444 LYS . 16841 1 141 445 TRP . 16841 1 142 446 CYS . 16841 1 143 447 GLY . 16841 1 144 448 THR . 16841 1 145 449 THR . 16841 1 146 450 GLN . 16841 1 147 451 ASN . 16841 1 148 452 TYR . 16841 1 149 453 ASP . 16841 1 150 454 ALA . 16841 1 151 455 ASP . 16841 1 152 456 GLN . 16841 1 153 457 LYS . 16841 1 154 458 PHE . 16841 1 155 459 GLY . 16841 1 156 460 PHE . 16841 1 157 461 CYS . 16841 1 158 462 PRO . 16841 1 159 463 MET . 16841 1 160 464 ALA . 16841 1 161 465 ALA . 16841 1 162 466 HIS . 16841 1 163 467 GLU . 16841 1 164 468 GLU . 16841 1 165 469 ILE . 16841 1 166 470 CYS . 16841 1 167 471 THR . 16841 1 168 472 THR . 16841 1 169 473 ASN . 16841 1 170 474 GLU . 16841 1 171 475 GLY . 16841 1 172 476 VAL . 16841 1 173 477 MET . 16841 1 174 478 TYR . 16841 1 175 479 ARG . 16841 1 176 480 ILE . 16841 1 177 481 GLY . 16841 1 178 482 ASP . 16841 1 179 483 GLN . 16841 1 180 484 TRP . 16841 1 181 485 ASP . 16841 1 182 486 LYS . 16841 1 183 487 GLN . 16841 1 184 488 HIS . 16841 1 185 489 ASP . 16841 1 186 490 MET . 16841 1 187 491 GLY . 16841 1 188 492 HIS . 16841 1 189 493 MET . 16841 1 190 494 MET . 16841 1 191 495 ARG . 16841 1 192 496 CYS . 16841 1 193 497 THR . 16841 1 194 498 CYS . 16841 1 195 499 VAL . 16841 1 196 500 GLY . 16841 1 197 501 ASN . 16841 1 198 502 GLY . 16841 1 199 503 ARG . 16841 1 200 504 GLY . 16841 1 201 505 GLU . 16841 1 202 506 TRP . 16841 1 203 507 THR . 16841 1 204 508 CYS . 16841 1 205 509 ILE . 16841 1 206 510 ALA . 16841 1 207 511 TYR . 16841 1 208 512 SER . 16841 1 209 513 GLN . 16841 1 210 514 LEU . 16841 1 211 515 ARG . 16841 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 . TYR 1 1 16841 1 . GLY 2 2 16841 1 . ASP 3 3 16841 1 . CYS 4 4 16841 1 . VAL 5 5 16841 1 . THR 6 6 16841 1 . ASP 7 7 16841 1 . SER 8 8 16841 1 . GLY 9 9 16841 1 . VAL 10 10 16841 1 . VAL 11 11 16841 1 . TYR 12 12 16841 1 . SER 13 13 16841 1 . VAL 14 14 16841 1 . GLY 15 15 16841 1 . MET 16 16 16841 1 . GLN 17 17 16841 1 . TRP 18 18 16841 1 . LEU 19 19 16841 1 . LYS 20 20 16841 1 . THR 21 21 16841 1 . GLN 22 22 16841 1 . GLY 23 23 16841 1 . ASN 24 24 16841 1 . LYS 25 25 16841 1 . GLN 26 26 16841 1 . MET 27 27 16841 1 . LEU 28 28 16841 1 . CYS 29 29 16841 1 . THR 30 30 16841 1 . CYS 31 31 16841 1 . LEU 32 32 16841 1 . GLY 33 33 16841 1 . ASN 34 34 16841 1 . GLY 35 35 16841 1 . VAL 36 36 16841 1 . SER 37 37 16841 1 . CYS 38 38 16841 1 . GLN 39 39 16841 1 . GLU 40 40 16841 1 . THR 41 41 16841 1 . ALA 42 42 16841 1 . VAL 43 43 16841 1 . THR 44 44 16841 1 . GLN 45 45 16841 1 . THR 46 46 16841 1 . TYR 47 47 16841 1 . GLY 48 48 16841 1 . GLY 49 49 16841 1 . ASN 50 50 16841 1 . SER 51 51 16841 1 . ASN 52 52 16841 1 . GLY 53 53 16841 1 . GLU 54 54 16841 1 . PRO 55 55 16841 1 . CYS 56 56 16841 1 . VAL 57 57 16841 1 . LEU 58 58 16841 1 . PRO 59 59 16841 1 . PHE 60 60 16841 1 . THR 61 61 16841 1 . TYR 62 62 16841 1 . ASN 63 63 16841 1 . GLY 64 64 16841 1 . ARG 65 65 16841 1 . THR 66 66 16841 1 . PHE 67 67 16841 1 . TYR 68 68 16841 1 . SER 69 69 16841 1 . CYS 70 70 16841 1 . THR 71 71 16841 1 . THR 72 72 16841 1 . GLU 73 73 16841 1 . GLY 74 74 16841 1 . ARG 75 75 16841 1 . GLN 76 76 16841 1 . ASP 77 77 16841 1 . GLY 78 78 16841 1 . HIS 79 79 16841 1 . LEU 80 80 16841 1 . TRP 81 81 16841 1 . CYS 82 82 16841 1 . SER 83 83 16841 1 . THR 84 84 16841 1 . THR 85 85 16841 1 . SER 86 86 16841 1 . ASN 87 87 16841 1 . TYR 88 88 16841 1 . GLU 89 89 16841 1 . GLN 90 90 16841 1 . ASP 91 91 16841 1 . GLN 92 92 16841 1 . LYS 93 93 16841 1 . TYR 94 94 16841 1 . SER 95 95 16841 1 . PHE 96 96 16841 1 . CYS 97 97 16841 1 . THR 98 98 16841 1 . ASP 99 99 16841 1 . HIS 100 100 16841 1 . THR 101 101 16841 1 . VAL 102 102 16841 1 . LEU 103 103 16841 1 . VAL 104 104 16841 1 . GLN 105 105 16841 1 . THR 106 106 16841 1 . ARG 107 107 16841 1 . GLY 108 108 16841 1 . GLY 109 109 16841 1 . ASN 110 110 16841 1 . SER 111 111 16841 1 . ASN 112 112 16841 1 . GLY 113 113 16841 1 . ALA 114 114 16841 1 . LEU 115 115 16841 1 . CYS 116 116 16841 1 . HIS 117 117 16841 1 . PHE 118 118 16841 1 . PRO 119 119 16841 1 . PHE 120 120 16841 1 . LEU 121 121 16841 1 . TYR 122 122 16841 1 . ASN 123 123 16841 1 . ASN 124 124 16841 1 . HIS 125 125 16841 1 . ASN 126 126 16841 1 . TYR 127 127 16841 1 . THR 128 128 16841 1 . ASP 129 129 16841 1 . CYS 130 130 16841 1 . THR 131 131 16841 1 . SER 132 132 16841 1 . GLU 133 133 16841 1 . GLY 134 134 16841 1 . ARG 135 135 16841 1 . ARG 136 136 16841 1 . ASP 137 137 16841 1 . ASN 138 138 16841 1 . MET 139 139 16841 1 . LYS 140 140 16841 1 . TRP 141 141 16841 1 . CYS 142 142 16841 1 . GLY 143 143 16841 1 . THR 144 144 16841 1 . THR 145 145 16841 1 . GLN 146 146 16841 1 . ASN 147 147 16841 1 . TYR 148 148 16841 1 . ASP 149 149 16841 1 . ALA 150 150 16841 1 . ASP 151 151 16841 1 . GLN 152 152 16841 1 . LYS 153 153 16841 1 . PHE 154 154 16841 1 . GLY 155 155 16841 1 . PHE 156 156 16841 1 . CYS 157 157 16841 1 . PRO 158 158 16841 1 . MET 159 159 16841 1 . ALA 160 160 16841 1 . ALA 161 161 16841 1 . HIS 162 162 16841 1 . GLU 163 163 16841 1 . GLU 164 164 16841 1 . ILE 165 165 16841 1 . CYS 166 166 16841 1 . THR 167 167 16841 1 . THR 168 168 16841 1 . ASN 169 169 16841 1 . GLU 170 170 16841 1 . GLY 171 171 16841 1 . VAL 172 172 16841 1 . MET 173 173 16841 1 . TYR 174 174 16841 1 . ARG 175 175 16841 1 . ILE 176 176 16841 1 . GLY 177 177 16841 1 . ASP 178 178 16841 1 . GLN 179 179 16841 1 . TRP 180 180 16841 1 . ASP 181 181 16841 1 . LYS 182 182 16841 1 . GLN 183 183 16841 1 . HIS 184 184 16841 1 . ASP 185 185 16841 1 . MET 186 186 16841 1 . GLY 187 187 16841 1 . HIS 188 188 16841 1 . MET 189 189 16841 1 . MET 190 190 16841 1 . ARG 191 191 16841 1 . CYS 192 192 16841 1 . THR 193 193 16841 1 . CYS 194 194 16841 1 . VAL 195 195 16841 1 . GLY 196 196 16841 1 . ASN 197 197 16841 1 . GLY 198 198 16841 1 . ARG 199 199 16841 1 . GLY 200 200 16841 1 . GLU 201 201 16841 1 . TRP 202 202 16841 1 . THR 203 203 16841 1 . CYS 204 204 16841 1 . ILE 205 205 16841 1 . ALA 206 206 16841 1 . TYR 207 207 16841 1 . SER 208 208 16841 1 . GLN 209 209 16841 1 . LEU 210 210 16841 1 . ARG 211 211 16841 1 stop_ save_ save_NAG _Entity.Sf_category entity _Entity.Sf_framecode NAG _Entity.Entry_ID 16841 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NAG _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 NAG _Entity.Nonpolymer_comp_label $chem_comp_NAG _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . NAG . 16841 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16841 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $QUAD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16841 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 16841 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $QUAD . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris X-33 . . . . . . . . . . . . . . . pPICZalpha . . . . . . 16841 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_NAG _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_NAG _Chem_comp.Entry_ID 16841 _Chem_comp.ID NAG _Chem_comp.Provenance . _Chem_comp.Name N-ACETYL-D-GLUCOSAMINE _Chem_comp.Type D-saccharide _Chem_comp.BMRB_code . _Chem_comp.PDB_code NAG _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code NAG _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula 'C8 H15 N O6' _Chem_comp.Formula_weight 221.208 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 8PCH _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 15:20:37 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CC(=O)NC1C(C(C(OC1O)CO)O)O SMILES 'OpenEye OEToolkits' 1.5.0 16841 NAG CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16841 NAG CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O SMILES_CANONICAL CACTVS 3.341 16841 NAG CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O SMILES CACTVS 3.341 16841 NAG InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1/f/h9H InChI InChI 1.02b 16841 NAG O=C(NC1C(O)C(O)C(OC1O)CO)C SMILES ACDLabs 10.04 16841 NAG OVRNDRQMDRJTHS-HEEJIFACDV InChIKey InChI 1.02b 16841 NAG stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 2-(acetylamino)-2-deoxy-beta-D-glucopyranose 'SYSTEMATIC NAME' ACDLabs 10.04 16841 NAG N-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16841 NAG stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . C1 . . C . . R 0 . . . . . . . . . . 7.396 . 28.163 . 26.662 . 1.077 -0.385 0.121 . . 16841 NAG C2 . C2 . . C . . R 0 . . . . . . . . . . 6.973 . 29.233 . 27.644 . -0.208 0.112 0.785 . . 16841 NAG C3 . C3 . . C . . R 0 . . . . . . . . . . 7.667 . 29.055 . 29.000 . -1.404 -0.254 -0.100 . . 16841 NAG C4 . C4 . . C . . S 0 . . . . . . . . . . 7.573 . 27.588 . 29.490 . -1.149 0.280 -1.514 . . 16841 NAG C5 . C5 . . C . . R 0 . . . . . . . . . . 7.902 . 26.592 . 28.373 . 0.208 -0.230 -2.004 . . 16841 NAG C6 . C6 . . C . . N 0 . . . . . . . . . . 7.599 . 25.173 . 28.797 . 0.455 0.273 -3.428 . . 16841 NAG C7 . C7 . . C . . N 0 . . . . . . . . . . 6.291 . 31.299 . 26.595 . 0.161 0.067 3.193 . . 16841 NAG C8 . C8 . . C . . N 0 . . . . . . . . . . 6.684 . 32.649 . 26.036 . 0.006 -0.583 4.543 . . 16841 NAG H1 . H1 . . H . . N 0 . . . . . . . . . . 8.484 . 28.195 . 26.464 . 1.019 -1.465 -0.017 . . 16841 NAG H2 . H2 . . H . . N 0 . . . . . . . . . . 5.890 . 29.090 . 27.790 . -0.161 1.194 0.905 . . 16841 NAG H3 . H3 . . H . . N 0 . . . . . . . . . . 8.647 . 29.493 . 28.952 . -1.514 -1.338 -0.133 . . 16841 NAG H4 . H4 . . H . . N 0 . . . . . . . . . . 6.562 . 27.373 . 29.853 . -1.143 1.369 -1.495 . . 16841 NAG H5 . H5 . . H . . N 0 . . . . . . . . . . 8.984 . 26.574 . 28.140 . 0.208 -1.320 -2.001 . . 16841 NAG H61 . H61 . . H . . N 0 . . . . . . . . . . 8.256 . 24.956 . 29.674 . -0.334 -0.090 -4.085 . . 16841 NAG H62 . H62 . . H . . N 0 . . . . . . . . . . 7.863 . 24.465 . 27.984 . 0.458 1.363 -3.432 . . 16841 NAG H81 . H81 . . H . . N 0 . . . . . . . . . . 7.609 . 32.549 . 25.422 . 0.488 0.033 5.301 . . 16841 NAG H82 . H82 . . H . . N 0 . . . . . . . . . . 6.846 . 33.280 . 26.906 . -1.052 -0.686 4.778 . . 16841 NAG H83 . H83 . . H . . N 0 . . . . . . . . . . 5.817 . 33.062 . 25.505 . 0.472 -1.569 4.527 . . 16841 NAG HN2 . HN2 . . H . . N 0 . . . . . . . . . . 8.184 . 30.888 . 26.926 . -0.833 -1.363 2.178 . . 16841 NAG HO1 . HO1 . . H . . N 0 . . . . . . . . . . 6.941 . 27.691 . 24.802 . 2.982 -0.402 0.502 . . 16841 NAG HO3 . HO3 . . H . . N 0 . . . . . . . . . . 6.175 . 29.560 . 30.133 . -3.317 0.084 -0.170 . . 16841 NAG HO4 . HO4 . . H . . N 0 . . . . . . . . . . 8.436 . 26.458 . 30.874 . -1.974 0.176 -3.270 . . 16841 NAG HO6 . HO6 . . H . . N 0 . . . . . . . . . . 6.162 . 24.598 . 30.028 . 1.835 0.131 -4.788 . . 16841 NAG N2 . N2 . . N . . N 0 . . . . . . . . . . 7.268 . 30.545 . 27.089 . -0.359 -0.520 2.097 . . 16841 NAG O1 . O1 . . O . . N 0 . . . . . . . . . . 6.676 . 28.363 . 25.419 . 2.194 -0.073 0.955 . . 16841 NAG O3 . O3 . . O . . N 0 . . . . . . . . . . 7.038 . 29.909 . 29.947 . -2.596 0.332 0.425 . . 16841 NAG O4 . O4 . . O . . N 0 . . . . . . . . . . 8.494 . 27.358 . 30.574 . -2.177 -0.177 -2.394 . . 16841 NAG O5 . O5 . . O . . N 0 . . . . . . . . . . 7.104 . 26.875 . 27.206 . 1.242 0.247 -1.146 . . 16841 NAG O6 . O6 . . O . . N 0 . . . . . . . . . . 6.232 . 25.040 . 29.165 . 1.719 -0.207 -3.890 . . 16841 NAG O7 . O7 . . O . . N 0 . . . . . . . . . . 5.114 . 30.936 . 26.562 . 0.754 1.120 3.092 . . 16841 NAG stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 . . 1 . 16841 NAG 2 . SING C1 O1 . . 2 . 16841 NAG 3 . SING C1 O5 . . 3 . 16841 NAG 4 . SING C1 H1 . . 4 . 16841 NAG 5 . SING C2 C3 . . 5 . 16841 NAG 6 . SING C2 N2 . . 6 . 16841 NAG 7 . SING C2 H2 . . 7 . 16841 NAG 8 . SING C3 C4 . . 8 . 16841 NAG 9 . SING C3 O3 . . 9 . 16841 NAG 10 . SING C3 H3 . . 10 . 16841 NAG 11 . SING C4 C5 . . 11 . 16841 NAG 12 . SING C4 O4 . . 12 . 16841 NAG 13 . SING C4 H4 . . 13 . 16841 NAG 14 . SING C5 C6 . . 14 . 16841 NAG 15 . SING C5 O5 . . 15 . 16841 NAG 16 . SING C5 H5 . . 16 . 16841 NAG 17 . SING C6 O6 . . 17 . 16841 NAG 18 . SING C6 H61 . . 18 . 16841 NAG 19 . SING C6 H62 . . 19 . 16841 NAG 20 . SING C7 C8 . . 20 . 16841 NAG 21 . SING C7 N2 . . 21 . 16841 NAG 22 . DOUB C7 O7 . . 22 . 16841 NAG 23 . SING C8 H81 . . 23 . 16841 NAG 24 . SING C8 H82 . . 24 . 16841 NAG 25 . SING C8 H83 . . 25 . 16841 NAG 26 . SING N2 HN2 . . 26 . 16841 NAG 27 . SING O1 HO1 . . 27 . 16841 NAG 28 . SING O3 HO3 . . 28 . 16841 NAG 29 . SING O4 HO4 . . 29 . 16841 NAG 30 . SING O6 HO6 . . 30 . 16841 NAG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16841 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 QUAD [U-15N] . . 1 $QUAD . . 1 . . mM . . . . 16841 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16841 1 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16841 1 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16841 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16841 1 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 16841 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16841 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 QUAD '[U-13C; U-15N]' . . 1 $QUAD . . 1 . . mM . . . . 16841 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16841 2 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16841 2 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16841 2 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16841 2 6 D2O '[U-100% 2H]' . . . . . . 5 . . % . . . . 16841 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16841 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 QUAD '[U-13C; U-15N]' . . 1 $QUAD . . 1 . . mM . . . . 16841 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16841 3 3 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 16841 3 4 DSS 'natural abundance' . . . . . . 0.1 . . mM . . . . 16841 3 5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 16841 3 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 16841 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 16841 1 pH 7.2 . pH 16841 1 pressure 1 . atm 16841 1 temperature 310 . K 16841 1 stop_ save_ ############################ # Computer software used # ############################ save_Omega_Spectrometer_Operating_Software _Software.Sf_category software _Software.Sf_framecode Omega_Spectrometer_Operating_Software _Software.Entry_ID 16841 _Software.ID 1 _Software.Name 'Omega Spectrometer Operating Software' _Software.Version 'Beta 6.03b2' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID GE . . 16841 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16841 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 16841 _Software.ID 2 _Software.Name PIPP _Software.Version 4.3.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 16841 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16841 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16841 _Software.ID 3 _Software.Name NMRPipe _Software.Version '2.4 Rev 2006.095.11.35' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16841 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16841 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16841 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Oxford supercon magnets, home built consoles controlled by GE Omega computers' _NMR_spectrometer.Manufacturer GE _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16841 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16841 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details 'Oxford supercon magnets, home built consoles controlled by GE Omega computers' _NMR_spectrometer.Manufacturer GE _NMR_spectrometer.Model OMEGA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16841 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 GE OMEGA . 950 'Oxford supercon magnets, home built consoles controlled by GE Omega computers' . . 16841 1 2 spectrometer_2 Bruker Avance . 500 . . . 16841 1 3 spectrometer_3 GE OMEGA . 500 'Oxford supercon magnets, home built consoles controlled by GE Omega computers' . . 16841 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 16841 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16841 1 2 CACONH no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16841 1 3 CBCACONH no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16841 1 4 C(CCO)NH no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16841 1 5 H(CCCO)NH no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16841 1 6 HCCH-COSY no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16841 1 7 HBCBCGCDHD no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16841 1 8 HBCBCGCDCEHE no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16841 1 9 HBHACONH no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16841 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16841 1 11 '4D HC/HC NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16841 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16841 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16841 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 16841 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 16841 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 16841 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 16841 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16841 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16841 1 2 CACONH . . . 16841 1 3 CBCACONH . . . 16841 1 4 C(CCO)NH . . . 16841 1 5 H(CCCO)NH . . . 16841 1 6 HCCH-COSY . . . 16841 1 7 HBCBCGCDHD . . . 16841 1 8 HBCBCGCDCEHE . . . 16841 1 9 HBHACONH . . . 16841 1 10 '3D 1H-15N TOCSY' . . . 16841 1 11 '4D HC/HC NOESY' . . . 16841 1 12 '3D 1H-15N NOESY' . . . 16841 1 13 '2D 1H-13C HSQC' . . . 16841 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 $Omega_Spectrometer_Operating_Software . . 16841 1 2 $PIPP . . 16841 1 3 $NMRPipe . . 16841 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 2 2 GLY HA2 H 1 3.81 0.02 . 1 . . . . 306 GLY HA2 . 16841 1 2 . 1 1 2 2 GLY HA3 H 1 4.01 0.02 . 1 . . . . 306 GLY HA3 . 16841 1 3 . 1 1 2 2 GLY CA C 13 45.21 0.10 . 1 . . . . 306 GLY CA . 16841 1 4 . 1 1 3 3 ASP H H 1 7.94 0.02 . 1 . . . . 307 ASP H . 16841 1 5 . 1 1 3 3 ASP HA H 1 4.76 0.02 . 1 . . . . 307 ASP HA . 16841 1 6 . 1 1 3 3 ASP HB2 H 1 2.43 0.02 . 1 . . . . 307 ASP HB2 . 16841 1 7 . 1 1 3 3 ASP HB3 H 1 2.65 0.02 . 1 . . . . 307 ASP HB3 . 16841 1 8 . 1 1 3 3 ASP CA C 13 54.80 0.10 . 1 . . . . 307 ASP CA . 16841 1 9 . 1 1 3 3 ASP CB C 13 42.20 0.10 . 1 . . . . 307 ASP CB . 16841 1 10 . 1 1 3 3 ASP N N 15 118.95 0.10 . 1 . . . . 307 ASP N . 16841 1 11 . 1 1 4 4 CYS H H 1 9.05 0.02 . 1 . . . . 308 CYS H . 16841 1 12 . 1 1 4 4 CYS HA H 1 4.78 0.02 . 1 . . . . 308 CYS HA . 16841 1 13 . 1 1 4 4 CYS HB2 H 1 2.92 0.02 . 1 . . . . 308 CYS HB2 . 16841 1 14 . 1 1 4 4 CYS HB3 H 1 3.15 0.02 . 1 . . . . 308 CYS HB3 . 16841 1 15 . 1 1 4 4 CYS CA C 13 57.66 0.10 . 1 . . . . 308 CYS CA . 16841 1 16 . 1 1 4 4 CYS CB C 13 43.49 0.10 . 1 . . . . 308 CYS CB . 16841 1 17 . 1 1 4 4 CYS N N 15 117.30 0.10 . 1 . . . . 308 CYS N . 16841 1 18 . 1 1 5 5 VAL H H 1 8.36 0.02 . 1 . . . . 309 VAL H . 16841 1 19 . 1 1 5 5 VAL HA H 1 4.62 0.02 . 1 . . . . 309 VAL HA . 16841 1 20 . 1 1 5 5 VAL HB H 1 1.91 0.02 . 1 . . . . 309 VAL HB . 16841 1 21 . 1 1 5 5 VAL HG11 H 1 0.87 0.02 . 2 . . . . 309 VAL HG1 . 16841 1 22 . 1 1 5 5 VAL HG12 H 1 0.87 0.02 . 2 . . . . 309 VAL HG1 . 16841 1 23 . 1 1 5 5 VAL HG13 H 1 0.87 0.02 . 2 . . . . 309 VAL HG1 . 16841 1 24 . 1 1 5 5 VAL HG21 H 1 0.87 0.02 . 2 . . . . 309 VAL HG2 . 16841 1 25 . 1 1 5 5 VAL HG22 H 1 0.87 0.02 . 2 . . . . 309 VAL HG2 . 16841 1 26 . 1 1 5 5 VAL HG23 H 1 0.87 0.02 . 2 . . . . 309 VAL HG2 . 16841 1 27 . 1 1 5 5 VAL CA C 13 61.20 0.10 . 1 . . . . 309 VAL CA . 16841 1 28 . 1 1 5 5 VAL CB C 13 32.83 0.10 . 1 . . . . 309 VAL CB . 16841 1 29 . 1 1 5 5 VAL CG1 C 13 20.89 0.10 . 2 . . . . 309 VAL CG1 . 16841 1 30 . 1 1 5 5 VAL CG2 C 13 20.89 0.10 . 2 . . . . 309 VAL CG2 . 16841 1 31 . 1 1 5 5 VAL N N 15 122.90 0.10 . 1 . . . . 309 VAL N . 16841 1 32 . 1 1 6 6 THR H H 1 8.62 0.02 . 1 . . . . 310 THR H . 16841 1 33 . 1 1 6 6 THR CA C 13 61.04 0.10 . 1 . . . . 310 THR CA . 16841 1 34 . 1 1 6 6 THR CB C 13 71.43 0.10 . 1 . . . . 310 THR CB . 16841 1 35 . 1 1 6 6 THR N N 15 117.75 0.10 . 1 . . . . 310 THR N . 16841 1 36 . 1 1 8 8 SER HA H 1 4.53 0.02 . 1 . . . . 312 SER HA . 16841 1 37 . 1 1 8 8 SER HB2 H 1 3.92 0.02 . 1 . . . . 312 SER HB2 . 16841 1 38 . 1 1 8 8 SER HB3 H 1 4.04 0.02 . 1 . . . . 312 SER HB3 . 16841 1 39 . 1 1 8 8 SER CA C 13 57.97 0.10 . 1 . . . . 312 SER CA . 16841 1 40 . 1 1 8 8 SER CB C 13 63.65 0.10 . 1 . . . . 312 SER CB . 16841 1 41 . 1 1 9 9 GLY H H 1 8.05 0.02 . 1 . . . . 313 GLY H . 16841 1 42 . 1 1 9 9 GLY HA2 H 1 3.44 0.02 . 1 . . . . 313 GLY HA2 . 16841 1 43 . 1 1 9 9 GLY HA3 H 1 4.16 0.02 . 1 . . . . 313 GLY HA3 . 16841 1 44 . 1 1 9 9 GLY CA C 13 45.40 0.10 . 1 . . . . 313 GLY CA . 16841 1 45 . 1 1 9 9 GLY N N 15 110.25 0.10 . 1 . . . . 313 GLY N . 16841 1 46 . 1 1 10 10 VAL H H 1 7.06 0.02 . 1 . . . . 314 VAL H . 16841 1 47 . 1 1 10 10 VAL HA H 1 3.62 0.02 . 1 . . . . 314 VAL HA . 16841 1 48 . 1 1 10 10 VAL HB H 1 1.55 0.02 . 1 . . . . 314 VAL HB . 16841 1 49 . 1 1 10 10 VAL HG11 H 1 0.69 0.02 . 1 . . . . 314 VAL HG1 . 16841 1 50 . 1 1 10 10 VAL HG12 H 1 0.69 0.02 . 1 . . . . 314 VAL HG1 . 16841 1 51 . 1 1 10 10 VAL HG13 H 1 0.69 0.02 . 1 . . . . 314 VAL HG1 . 16841 1 52 . 1 1 10 10 VAL HG21 H 1 0.27 0.02 . 1 . . . . 314 VAL HG2 . 16841 1 53 . 1 1 10 10 VAL HG22 H 1 0.27 0.02 . 1 . . . . 314 VAL HG2 . 16841 1 54 . 1 1 10 10 VAL HG23 H 1 0.27 0.02 . 1 . . . . 314 VAL HG2 . 16841 1 55 . 1 1 10 10 VAL CA C 13 62.93 0.10 . 1 . . . . 314 VAL CA . 16841 1 56 . 1 1 10 10 VAL CB C 13 31.50 0.10 . 1 . . . . 314 VAL CB . 16841 1 57 . 1 1 10 10 VAL CG1 C 13 21.50 0.10 . 1 . . . . 314 VAL CG1 . 16841 1 58 . 1 1 10 10 VAL CG2 C 13 21.50 0.10 . 1 . . . . 314 VAL CG2 . 16841 1 59 . 1 1 10 10 VAL N N 15 121.49 0.10 . 1 . . . . 314 VAL N . 16841 1 60 . 1 1 11 11 VAL H H 1 7.47 0.02 . 1 . . . . 315 VAL H . 16841 1 61 . 1 1 11 11 VAL HA H 1 4.55 0.02 . 1 . . . . 315 VAL HA . 16841 1 62 . 1 1 11 11 VAL HB H 1 1.64 0.02 . 1 . . . . 315 VAL HB . 16841 1 63 . 1 1 11 11 VAL HG11 H 1 0.81 0.02 . 1 . . . . 315 VAL HG1 . 16841 1 64 . 1 1 11 11 VAL HG12 H 1 0.81 0.02 . 1 . . . . 315 VAL HG1 . 16841 1 65 . 1 1 11 11 VAL HG13 H 1 0.81 0.02 . 1 . . . . 315 VAL HG1 . 16841 1 66 . 1 1 11 11 VAL HG21 H 1 0.70 0.02 . 1 . . . . 315 VAL HG2 . 16841 1 67 . 1 1 11 11 VAL HG22 H 1 0.70 0.02 . 1 . . . . 315 VAL HG2 . 16841 1 68 . 1 1 11 11 VAL HG23 H 1 0.70 0.02 . 1 . . . . 315 VAL HG2 . 16841 1 69 . 1 1 11 11 VAL CA C 13 61.18 0.10 . 1 . . . . 315 VAL CA . 16841 1 70 . 1 1 11 11 VAL CB C 13 33.02 0.10 . 1 . . . . 315 VAL CB . 16841 1 71 . 1 1 11 11 VAL CG1 C 13 21.65 0.10 . 1 . . . . 315 VAL CG1 . 16841 1 72 . 1 1 11 11 VAL CG2 C 13 21.65 0.10 . 1 . . . . 315 VAL CG2 . 16841 1 73 . 1 1 11 11 VAL N N 15 125.95 0.10 . 1 . . . . 315 VAL N . 16841 1 74 . 1 1 12 12 TYR H H 1 8.53 0.02 . 1 . . . . 316 TYR H . 16841 1 75 . 1 1 12 12 TYR HA H 1 4.66 0.02 . 1 . . . . 316 TYR HA . 16841 1 76 . 1 1 12 12 TYR HB2 H 1 2.95 0.02 . 2 . . . . 316 TYR HB1 . 16841 1 77 . 1 1 12 12 TYR HB3 H 1 2.95 0.02 . 2 . . . . 316 TYR HB2 . 16841 1 78 . 1 1 12 12 TYR CA C 13 56.98 0.10 . 1 . . . . 316 TYR CA . 16841 1 79 . 1 1 12 12 TYR CB C 13 42.79 0.10 . 1 . . . . 316 TYR CB . 16841 1 80 . 1 1 12 12 TYR N N 15 124.83 0.10 . 1 . . . . 316 TYR N . 16841 1 81 . 1 1 13 13 SER H H 1 8.10 0.02 . 1 . . . . 317 SER H . 16841 1 82 . 1 1 13 13 SER HA H 1 4.92 0.02 . 1 . . . . 317 SER HA . 16841 1 83 . 1 1 13 13 SER HB2 H 1 3.56 0.02 . 1 . . . . 317 SER HB2 . 16841 1 84 . 1 1 13 13 SER HB3 H 1 4.06 0.02 . 1 . . . . 317 SER HB3 . 16841 1 85 . 1 1 13 13 SER CA C 13 57.96 0.10 . 1 . . . . 317 SER CA . 16841 1 86 . 1 1 13 13 SER CB C 13 64.91 0.10 . 1 . . . . 317 SER CB . 16841 1 87 . 1 1 13 13 SER N N 15 117.55 0.10 . 1 . . . . 317 SER N . 16841 1 88 . 1 1 14 14 VAL H H 1 8.41 0.02 . 1 . . . . 318 VAL H . 16841 1 89 . 1 1 14 14 VAL HA H 1 3.53 0.02 . 1 . . . . 318 VAL HA . 16841 1 90 . 1 1 14 14 VAL HB H 1 1.89 0.02 . 1 . . . . 318 VAL HB . 16841 1 91 . 1 1 14 14 VAL HG11 H 1 1.40 0.02 . 1 . . . . 318 VAL HG1 . 16841 1 92 . 1 1 14 14 VAL HG12 H 1 1.40 0.02 . 1 . . . . 318 VAL HG1 . 16841 1 93 . 1 1 14 14 VAL HG13 H 1 1.40 0.02 . 1 . . . . 318 VAL HG1 . 16841 1 94 . 1 1 14 14 VAL HG21 H 1 1.40 0.02 . 1 . . . . 318 VAL HG2 . 16841 1 95 . 1 1 14 14 VAL HG22 H 1 1.40 0.02 . 1 . . . . 318 VAL HG2 . 16841 1 96 . 1 1 14 14 VAL HG23 H 1 1.40 0.02 . 1 . . . . 318 VAL HG2 . 16841 1 97 . 1 1 14 14 VAL CA C 13 65.29 0.10 . 1 . . . . 318 VAL CA . 16841 1 98 . 1 1 14 14 VAL CB C 13 31.35 0.10 . 1 . . . . 318 VAL CB . 16841 1 99 . 1 1 14 14 VAL CG1 C 13 22.40 0.10 . 1 . . . . 318 VAL CG1 . 16841 1 100 . 1 1 14 14 VAL CG2 C 13 20.91 0.10 . 1 . . . . 318 VAL CG2 . 16841 1 101 . 1 1 14 14 VAL N N 15 122.19 0.10 . 1 . . . . 318 VAL N . 16841 1 102 . 1 1 15 15 GLY H H 1 9.10 0.02 . 1 . . . . 319 GLY H . 16841 1 103 . 1 1 15 15 GLY HA2 H 1 3.67 0.02 . 1 . . . . 319 GLY HA2 . 16841 1 104 . 1 1 15 15 GLY HA3 H 1 4.54 0.02 . 1 . . . . 319 GLY HA3 . 16841 1 105 . 1 1 15 15 GLY CA C 13 44.60 0.10 . 1 . . . . 319 GLY CA . 16841 1 106 . 1 1 15 15 GLY N N 15 115.10 0.10 . 1 . . . . 319 GLY N . 16841 1 107 . 1 1 16 16 MET H H 1 8.20 0.02 . 1 . . . . 320 MET H . 16841 1 108 . 1 1 16 16 MET HA H 1 4.75 0.02 . 1 . . . . 320 MET HA . 16841 1 109 . 1 1 16 16 MET CA C 13 57.28 0.10 . 1 . . . . 320 MET CA . 16841 1 110 . 1 1 16 16 MET CB C 13 34.54 0.10 . 1 . . . . 320 MET CB . 16841 1 111 . 1 1 16 16 MET CE C 13 16.01 0.10 . 1 . . . . 320 MET CE . 16841 1 112 . 1 1 16 16 MET N N 15 118.45 0.10 . 1 . . . . 320 MET N . 16841 1 113 . 1 1 17 17 GLN H H 1 9.51 0.02 . 1 . . . . 321 GLN H . 16841 1 114 . 1 1 17 17 GLN HA H 1 5.60 0.02 . 1 . . . . 321 GLN HA . 16841 1 115 . 1 1 17 17 GLN HB2 H 1 1.72 0.02 . 1 . . . . 321 GLN HB2 . 16841 1 116 . 1 1 17 17 GLN HB3 H 1 1.81 0.02 . 1 . . . . 321 GLN HB3 . 16841 1 117 . 1 1 17 17 GLN HG2 H 1 2.40 0.02 . 2 . . . . 321 GLN HG1 . 16841 1 118 . 1 1 17 17 GLN HG3 H 1 2.40 0.02 . 2 . . . . 321 GLN HG2 . 16841 1 119 . 1 1 17 17 GLN CA C 13 54.05 0.10 . 1 . . . . 321 GLN CA . 16841 1 120 . 1 1 17 17 GLN CB C 13 34.21 0.10 . 1 . . . . 321 GLN CB . 16841 1 121 . 1 1 17 17 GLN CG C 13 34.49 0.10 . 1 . . . . 321 GLN CG . 16841 1 122 . 1 1 17 17 GLN N N 15 118.16 0.10 . 1 . . . . 321 GLN N . 16841 1 123 . 1 1 18 18 TRP H H 1 8.64 0.02 . 1 . . . . 322 TRP H . 16841 1 124 . 1 1 18 18 TRP HA H 1 4.83 0.02 . 1 . . . . 322 TRP HA . 16841 1 125 . 1 1 18 18 TRP HB2 H 1 2.86 0.02 . 1 . . . . 322 TRP HB2 . 16841 1 126 . 1 1 18 18 TRP HB3 H 1 3.04 0.02 . 1 . . . . 322 TRP HB3 . 16841 1 127 . 1 1 18 18 TRP CA C 13 56.86 0.10 . 1 . . . . 322 TRP CA . 16841 1 128 . 1 1 18 18 TRP CB C 13 31.04 0.10 . 1 . . . . 322 TRP CB . 16841 1 129 . 1 1 18 18 TRP N N 15 119.48 0.10 . 1 . . . . 322 TRP N . 16841 1 130 . 1 1 19 19 LEU H H 1 8.40 0.02 . 1 . . . . 323 LEU H . 16841 1 131 . 1 1 19 19 LEU HA H 1 5.27 0.02 . 1 . . . . 323 LEU HA . 16841 1 132 . 1 1 19 19 LEU HB2 H 1 1.39 0.02 . 1 . . . . 323 LEU HB2 . 16841 1 133 . 1 1 19 19 LEU HB3 H 1 1.61 0.02 . 1 . . . . 323 LEU HB3 . 16841 1 134 . 1 1 19 19 LEU HD21 H 1 0.78 0.02 . 1 . . . . 323 LEU HD2 . 16841 1 135 . 1 1 19 19 LEU HD22 H 1 0.78 0.02 . 1 . . . . 323 LEU HD2 . 16841 1 136 . 1 1 19 19 LEU HD23 H 1 0.78 0.02 . 1 . . . . 323 LEU HD2 . 16841 1 137 . 1 1 19 19 LEU HG H 1 1.35 0.02 . 1 . . . . 323 LEU HG . 16841 1 138 . 1 1 19 19 LEU CA C 13 53.25 0.10 . 1 . . . . 323 LEU CA . 16841 1 139 . 1 1 19 19 LEU CB C 13 44.47 0.10 . 1 . . . . 323 LEU CB . 16841 1 140 . 1 1 19 19 LEU CD1 C 13 25.42 0.10 . 1 . . . . 323 LEU CD1 . 16841 1 141 . 1 1 19 19 LEU CD2 C 13 23.80 0.10 . 1 . . . . 323 LEU CD2 . 16841 1 142 . 1 1 19 19 LEU CG C 13 26.98 0.10 . 1 . . . . 323 LEU CG . 16841 1 143 . 1 1 19 19 LEU N N 15 119.55 0.10 . 1 . . . . 323 LEU N . 16841 1 144 . 1 1 20 20 LYS H H 1 8.92 0.02 . 1 . . . . 324 LYS H . 16841 1 145 . 1 1 20 20 LYS HA H 1 4.79 0.02 . 1 . . . . 324 LYS HA . 16841 1 146 . 1 1 20 20 LYS HB2 H 1 1.78 0.02 . 1 . . . . 324 LYS HB2 . 16841 1 147 . 1 1 20 20 LYS HB3 H 1 1.83 0.02 . 1 . . . . 324 LYS HB3 . 16841 1 148 . 1 1 20 20 LYS HD2 H 1 1.80 0.02 . 2 . . . . 324 LYS HD1 . 16841 1 149 . 1 1 20 20 LYS HD3 H 1 1.80 0.02 . 2 . . . . 324 LYS HD2 . 16841 1 150 . 1 1 20 20 LYS HE2 H 1 3.02 0.02 . 2 . . . . 324 LYS HE1 . 16841 1 151 . 1 1 20 20 LYS HE3 H 1 3.02 0.02 . 2 . . . . 324 LYS HE2 . 16841 1 152 . 1 1 20 20 LYS HG2 H 1 1.35 0.02 . 1 . . . . 324 LYS HG2 . 16841 1 153 . 1 1 20 20 LYS HG3 H 1 1.40 0.02 . 1 . . . . 324 LYS HG3 . 16841 1 154 . 1 1 20 20 LYS CA C 13 54.98 0.10 . 1 . . . . 324 LYS CA . 16841 1 155 . 1 1 20 20 LYS CB C 13 36.83 0.10 . 1 . . . . 324 LYS CB . 16841 1 156 . 1 1 20 20 LYS CD C 13 29.97 0.10 . 1 . . . . 324 LYS CD . 16841 1 157 . 1 1 20 20 LYS CG C 13 24.80 0.10 . 1 . . . . 324 LYS CG . 16841 1 158 . 1 1 20 20 LYS N N 15 122.81 0.10 . 1 . . . . 324 LYS N . 16841 1 159 . 1 1 21 21 THR H H 1 8.74 0.02 . 1 . . . . 325 THR H . 16841 1 160 . 1 1 21 21 THR HA H 1 4.91 0.02 . 1 . . . . 325 THR HA . 16841 1 161 . 1 1 21 21 THR HB H 1 4.07 0.02 . 1 . . . . 325 THR HB . 16841 1 162 . 1 1 21 21 THR HG21 H 1 1.16 0.02 . 1 . . . . 325 THR HG2 . 16841 1 163 . 1 1 21 21 THR HG22 H 1 1.16 0.02 . 1 . . . . 325 THR HG2 . 16841 1 164 . 1 1 21 21 THR HG23 H 1 1.16 0.02 . 1 . . . . 325 THR HG2 . 16841 1 165 . 1 1 21 21 THR CA C 13 61.92 0.10 . 1 . . . . 325 THR CA . 16841 1 166 . 1 1 21 21 THR CB C 13 69.90 0.10 . 1 . . . . 325 THR CB . 16841 1 167 . 1 1 21 21 THR CG2 C 13 21.99 0.10 . 1 . . . . 325 THR CG2 . 16841 1 168 . 1 1 21 21 THR N N 15 120.64 0.10 . 1 . . . . 325 THR N . 16841 1 169 . 1 1 22 22 GLN H H 1 8.71 0.02 . 1 . . . . 326 GLN H . 16841 1 170 . 1 1 22 22 GLN HA H 1 4.64 0.02 . 1 . . . . 326 GLN HA . 16841 1 171 . 1 1 22 22 GLN HB2 H 1 1.81 0.02 . 1 . . . . 326 GLN HB2 . 16841 1 172 . 1 1 22 22 GLN HB3 H 1 2.02 0.02 . 1 . . . . 326 GLN HB3 . 16841 1 173 . 1 1 22 22 GLN HG2 H 1 2.25 0.02 . 2 . . . . 326 GLN HG1 . 16841 1 174 . 1 1 22 22 GLN HG3 H 1 2.25 0.02 . 2 . . . . 326 GLN HG2 . 16841 1 175 . 1 1 22 22 GLN CA C 13 54.93 0.10 . 1 . . . . 326 GLN CA . 16841 1 176 . 1 1 22 22 GLN CB C 13 30.97 0.10 . 1 . . . . 326 GLN CB . 16841 1 177 . 1 1 22 22 GLN CG C 13 34.47 0.10 . 1 . . . . 326 GLN CG . 16841 1 178 . 1 1 22 22 GLN N N 15 127.30 0.10 . 1 . . . . 326 GLN N . 16841 1 179 . 1 1 24 24 ASN HA H 1 4.67 0.02 . 1 . . . . 328 ASN HA . 16841 1 180 . 1 1 24 24 ASN HB2 H 1 2.93 0.02 . 2 . . . . 328 ASN HB1 . 16841 1 181 . 1 1 24 24 ASN HB3 H 1 2.93 0.02 . 2 . . . . 328 ASN HB2 . 16841 1 182 . 1 1 24 24 ASN CA C 13 53.35 0.10 . 1 . . . . 328 ASN CA . 16841 1 183 . 1 1 24 24 ASN CB C 13 38.34 0.10 . 1 . . . . 328 ASN CB . 16841 1 184 . 1 1 25 25 LYS H H 1 7.90 0.02 . 1 . . . . 329 LYS H . 16841 1 185 . 1 1 25 25 LYS HA H 1 4.63 0.02 . 1 . . . . 329 LYS HA . 16841 1 186 . 1 1 25 25 LYS HB2 H 1 1.76 0.02 . 1 . . . . 329 LYS HB2 . 16841 1 187 . 1 1 25 25 LYS HB3 H 1 1.93 0.02 . 1 . . . . 329 LYS HB3 . 16841 1 188 . 1 1 25 25 LYS HE2 H 1 2.65 0.02 . 1 . . . . 329 LYS HE1 . 16841 1 189 . 1 1 25 25 LYS HE3 H 1 3.04 0.02 . 1 . . . . 329 LYS HE2 . 16841 1 190 . 1 1 25 25 LYS HG2 H 1 1.77 0.02 . 1 . . . . 329 LYS HG2 . 16841 1 191 . 1 1 25 25 LYS HG3 H 1 1.47 0.02 . 1 . . . . 329 LYS HG3 . 16841 1 192 . 1 1 25 25 LYS CA C 13 55.24 0.10 . 1 . . . . 329 LYS CA . 16841 1 193 . 1 1 25 25 LYS CB C 13 35.17 0.10 . 1 . . . . 329 LYS CB . 16841 1 194 . 1 1 25 25 LYS CD C 13 29.25 0.10 . 1 . . . . 329 LYS CD . 16841 1 195 . 1 1 25 25 LYS CE C 13 42.38 0.10 . 1 . . . . 329 LYS CE . 16841 1 196 . 1 1 25 25 LYS CG C 13 24.65 0.10 . 1 . . . . 329 LYS CG . 16841 1 197 . 1 1 25 25 LYS N N 15 119.38 0.10 . 1 . . . . 329 LYS N . 16841 1 198 . 1 1 26 26 GLN H H 1 8.66 0.02 . 1 . . . . 330 GLN H . 16841 1 199 . 1 1 26 26 GLN HA H 1 4.76 0.02 . 1 . . . . 330 GLN HA . 16841 1 200 . 1 1 26 26 GLN HB2 H 1 1.96 0.02 . 2 . . . . 330 GLN HB1 . 16841 1 201 . 1 1 26 26 GLN HB3 H 1 1.96 0.02 . 2 . . . . 330 GLN HB2 . 16841 1 202 . 1 1 26 26 GLN HG2 H 1 2.21 0.02 . 2 . . . . 330 GLN HG1 . 16841 1 203 . 1 1 26 26 GLN HG3 H 1 2.21 0.02 . 2 . . . . 330 GLN HG2 . 16841 1 204 . 1 1 26 26 GLN CA C 13 55.30 0.10 . 1 . . . . 330 GLN CA . 16841 1 205 . 1 1 26 26 GLN CB C 13 30.80 0.10 . 1 . . . . 330 GLN CB . 16841 1 206 . 1 1 26 26 GLN CG C 13 34.76 0.10 . 1 . . . . 330 GLN CG . 16841 1 207 . 1 1 26 26 GLN N N 15 122.03 0.10 . 1 . . . . 330 GLN N . 16841 1 208 . 1 1 27 27 MET H H 1 9.01 0.02 . 1 . . . . 331 MET H . 16841 1 209 . 1 1 27 27 MET HA H 1 4.97 0.02 . 1 . . . . 331 MET HA . 16841 1 210 . 1 1 27 27 MET HB2 H 1 1.60 0.02 . 1 . . . . 331 MET HB2 . 16841 1 211 . 1 1 27 27 MET HB3 H 1 1.91 0.02 . 1 . . . . 331 MET HB3 . 16841 1 212 . 1 1 27 27 MET HG2 H 1 2.30 0.02 . 2 . . . . 331 MET HG1 . 16841 1 213 . 1 1 27 27 MET HG3 H 1 2.30 0.02 . 2 . . . . 331 MET HG2 . 16841 1 214 . 1 1 27 27 MET CA C 13 53.23 0.10 . 1 . . . . 331 MET CA . 16841 1 215 . 1 1 27 27 MET CB C 13 35.00 0.10 . 1 . . . . 331 MET CB . 16841 1 216 . 1 1 27 27 MET CG C 13 32.40 0.10 . 1 . . . . 331 MET CG . 16841 1 217 . 1 1 27 27 MET N N 15 122.14 0.10 . 1 . . . . 331 MET N . 16841 1 218 . 1 1 28 28 LEU H H 1 8.93 0.02 . 1 . . . . 332 LEU H . 16841 1 219 . 1 1 28 28 LEU HA H 1 4.66 0.02 . 1 . . . . 332 LEU HA . 16841 1 220 . 1 1 28 28 LEU HB2 H 1 1.10 0.02 . 1 . . . . 332 LEU HB2 . 16841 1 221 . 1 1 28 28 LEU HB3 H 1 1.71 0.02 . 1 . . . . 332 LEU HB3 . 16841 1 222 . 1 1 28 28 LEU HD11 H 1 0.68 0.02 . 2 . . . . 332 LEU HD1 . 16841 1 223 . 1 1 28 28 LEU HD12 H 1 0.68 0.02 . 2 . . . . 332 LEU HD1 . 16841 1 224 . 1 1 28 28 LEU HD13 H 1 0.68 0.02 . 2 . . . . 332 LEU HD1 . 16841 1 225 . 1 1 28 28 LEU HD21 H 1 0.68 0.02 . 2 . . . . 332 LEU HD2 . 16841 1 226 . 1 1 28 28 LEU HD22 H 1 0.68 0.02 . 2 . . . . 332 LEU HD2 . 16841 1 227 . 1 1 28 28 LEU HD23 H 1 0.68 0.02 . 2 . . . . 332 LEU HD2 . 16841 1 228 . 1 1 28 28 LEU CA C 13 53.52 0.10 . 1 . . . . 332 LEU CA . 16841 1 229 . 1 1 28 28 LEU CB C 13 44.19 0.10 . 1 . . . . 332 LEU CB . 16841 1 230 . 1 1 28 28 LEU CD1 C 13 25.45 0.10 . 2 . . . . 332 LEU CD1 . 16841 1 231 . 1 1 28 28 LEU CD2 C 13 25.45 0.10 . 2 . . . . 332 LEU CD2 . 16841 1 232 . 1 1 28 28 LEU CG C 13 27.40 0.10 . 1 . . . . 332 LEU CG . 16841 1 233 . 1 1 28 28 LEU N N 15 123.78 0.10 . 1 . . . . 332 LEU N . 16841 1 234 . 1 1 29 29 CYS H H 1 9.13 0.02 . 1 . . . . 333 CYS H . 16841 1 235 . 1 1 29 29 CYS HA H 1 5.16 0.02 . 1 . . . . 333 CYS HA . 16841 1 236 . 1 1 29 29 CYS HB2 H 1 0.62 0.02 . 1 . . . . 333 CYS HB2 . 16841 1 237 . 1 1 29 29 CYS HB3 H 1 1.57 0.02 . 1 . . . . 333 CYS HB3 . 16841 1 238 . 1 1 29 29 CYS CA C 13 54.98 0.10 . 1 . . . . 333 CYS CA . 16841 1 239 . 1 1 29 29 CYS CB C 13 45.70 0.10 . 1 . . . . 333 CYS CB . 16841 1 240 . 1 1 29 29 CYS N N 15 128.65 0.10 . 1 . . . . 333 CYS N . 16841 1 241 . 1 1 30 30 THR H H 1 8.57 0.02 . 1 . . . . 334 THR H . 16841 1 242 . 1 1 30 30 THR HA H 1 4.76 0.02 . 1 . . . . 334 THR HA . 16841 1 243 . 1 1 30 30 THR HB H 1 3.72 0.02 . 1 . . . . 334 THR HB . 16841 1 244 . 1 1 30 30 THR HG21 H 1 1.08 0.02 . 1 . . . . 334 THR HG2 . 16841 1 245 . 1 1 30 30 THR HG22 H 1 1.08 0.02 . 1 . . . . 334 THR HG2 . 16841 1 246 . 1 1 30 30 THR HG23 H 1 1.08 0.02 . 1 . . . . 334 THR HG2 . 16841 1 247 . 1 1 30 30 THR CA C 13 60.82 0.10 . 1 . . . . 334 THR CA . 16841 1 248 . 1 1 30 30 THR CB C 13 71.69 0.10 . 1 . . . . 334 THR CB . 16841 1 249 . 1 1 30 30 THR CG2 C 13 20.74 0.10 . 1 . . . . 334 THR CG2 . 16841 1 250 . 1 1 30 30 THR N N 15 114.70 0.10 . 1 . . . . 334 THR N . 16841 1 251 . 1 1 31 31 CYS H H 1 8.40 0.02 . 1 . . . . 335 CYS H . 16841 1 252 . 1 1 31 31 CYS HA H 1 5.21 0.02 . 1 . . . . 335 CYS HA . 16841 1 253 . 1 1 31 31 CYS HB2 H 1 3.09 0.02 . 1 . . . . 335 CYS HB2 . 16841 1 254 . 1 1 31 31 CYS HB3 H 1 3.46 0.02 . 1 . . . . 335 CYS HB3 . 16841 1 255 . 1 1 31 31 CYS CA C 13 54.45 0.10 . 1 . . . . 335 CYS CA . 16841 1 256 . 1 1 31 31 CYS CB C 13 38.35 0.10 . 1 . . . . 335 CYS CB . 16841 1 257 . 1 1 31 31 CYS N N 15 123.56 0.10 . 1 . . . . 335 CYS N . 16841 1 258 . 1 1 32 32 LEU H H 1 8.43 0.02 . 1 . . . . 336 LEU H . 16841 1 259 . 1 1 32 32 LEU HA H 1 4.84 0.02 . 1 . . . . 336 LEU HA . 16841 1 260 . 1 1 32 32 LEU HB2 H 1 1.73 0.02 . 1 . . . . 336 LEU HB2 . 16841 1 261 . 1 1 32 32 LEU HB3 H 1 1.98 0.02 . 1 . . . . 336 LEU HB3 . 16841 1 262 . 1 1 32 32 LEU HD11 H 1 0.91 0.02 . 2 . . . . 336 LEU HD1 . 16841 1 263 . 1 1 32 32 LEU HD12 H 1 0.91 0.02 . 2 . . . . 336 LEU HD1 . 16841 1 264 . 1 1 32 32 LEU HD13 H 1 0.91 0.02 . 2 . . . . 336 LEU HD1 . 16841 1 265 . 1 1 32 32 LEU HD21 H 1 0.91 0.02 . 2 . . . . 336 LEU HD2 . 16841 1 266 . 1 1 32 32 LEU HD22 H 1 0.91 0.02 . 2 . . . . 336 LEU HD2 . 16841 1 267 . 1 1 32 32 LEU HD23 H 1 0.91 0.02 . 2 . . . . 336 LEU HD2 . 16841 1 268 . 1 1 32 32 LEU CA C 13 54.15 0.10 . 1 . . . . 336 LEU CA . 16841 1 269 . 1 1 32 32 LEU CB C 13 43.66 0.10 . 1 . . . . 336 LEU CB . 16841 1 270 . 1 1 32 32 LEU CG C 13 25.80 0.10 . 1 . . . . 336 LEU CG . 16841 1 271 . 1 1 32 32 LEU N N 15 130.03 0.10 . 1 . . . . 336 LEU N . 16841 1 272 . 1 1 33 33 GLY H H 1 8.48 0.02 . 1 . . . . 337 GLY H . 16841 1 273 . 1 1 33 33 GLY HA2 H 1 3.78 0.02 . 1 . . . . 337 GLY HA2 . 16841 1 274 . 1 1 33 33 GLY HA3 H 1 3.99 0.02 . 1 . . . . 337 GLY HA3 . 16841 1 275 . 1 1 33 33 GLY CA C 13 46.87 0.10 . 1 . . . . 337 GLY CA . 16841 1 276 . 1 1 33 33 GLY N N 15 108.24 0.10 . 1 . . . . 337 GLY N . 16841 1 277 . 1 1 34 34 ASN H H 1 7.70 0.02 . 1 . . . . 338 ASN H . 16841 1 278 . 1 1 34 34 ASN HA H 1 4.88 0.02 . 1 . . . . 338 ASN HA . 16841 1 279 . 1 1 34 34 ASN HB2 H 1 2.77 0.02 . 1 . . . . 338 ASN HB2 . 16841 1 280 . 1 1 34 34 ASN HB3 H 1 3.00 0.02 . 1 . . . . 338 ASN HB3 . 16841 1 281 . 1 1 34 34 ASN CA C 13 52.21 0.10 . 1 . . . . 338 ASN CA . 16841 1 282 . 1 1 34 34 ASN CB C 13 37.97 0.10 . 1 . . . . 338 ASN CB . 16841 1 283 . 1 1 34 34 ASN N N 15 114.19 0.10 . 1 . . . . 338 ASN N . 16841 1 284 . 1 1 35 35 GLY H H 1 7.61 0.02 . 1 . . . . 339 GLY H . 16841 1 285 . 1 1 35 35 GLY HA2 H 1 3.91 0.02 . 1 . . . . 339 GLY HA2 . 16841 1 286 . 1 1 35 35 GLY HA3 H 1 4.54 0.02 . 1 . . . . 339 GLY HA3 . 16841 1 287 . 1 1 35 35 GLY CA C 13 44.44 0.10 . 1 . . . . 339 GLY CA . 16841 1 288 . 1 1 35 35 GLY N N 15 107.97 0.10 . 1 . . . . 339 GLY N . 16841 1 289 . 1 1 36 36 VAL H H 1 8.43 0.02 . 1 . . . . 340 VAL H . 16841 1 290 . 1 1 36 36 VAL HA H 1 4.66 0.02 . 1 . . . . 340 VAL HA . 16841 1 291 . 1 1 36 36 VAL HB H 1 2.09 0.02 . 1 . . . . 340 VAL HB . 16841 1 292 . 1 1 36 36 VAL HG11 H 1 1.25 0.02 . 1 . . . . 340 VAL HG1 . 16841 1 293 . 1 1 36 36 VAL HG12 H 1 1.25 0.02 . 1 . . . . 340 VAL HG1 . 16841 1 294 . 1 1 36 36 VAL HG13 H 1 1.25 0.02 . 1 . . . . 340 VAL HG1 . 16841 1 295 . 1 1 36 36 VAL HG21 H 1 1.06 0.02 . 1 . . . . 340 VAL HG2 . 16841 1 296 . 1 1 36 36 VAL HG22 H 1 1.06 0.02 . 1 . . . . 340 VAL HG2 . 16841 1 297 . 1 1 36 36 VAL HG23 H 1 1.06 0.02 . 1 . . . . 340 VAL HG2 . 16841 1 298 . 1 1 36 36 VAL CA C 13 62.60 0.10 . 1 . . . . 340 VAL CA . 16841 1 299 . 1 1 36 36 VAL CB C 13 33.91 0.10 . 1 . . . . 340 VAL CB . 16841 1 300 . 1 1 36 36 VAL CG1 C 13 23.25 0.10 . 1 . . . . 340 VAL CG1 . 16841 1 301 . 1 1 36 36 VAL CG2 C 13 23.27 0.10 . 1 . . . . 340 VAL CG2 . 16841 1 302 . 1 1 36 36 VAL N N 15 120.11 0.10 . 1 . . . . 340 VAL N . 16841 1 303 . 1 1 37 37 SER H H 1 8.45 0.02 . 1 . . . . 341 SER H . 16841 1 304 . 1 1 37 37 SER HA H 1 4.81 0.02 . 1 . . . . 341 SER HA . 16841 1 305 . 1 1 37 37 SER HB2 H 1 3.71 0.02 . 1 . . . . 341 SER HB2 . 16841 1 306 . 1 1 37 37 SER HB3 H 1 3.65 0.02 . 1 . . . . 341 SER HB3 . 16841 1 307 . 1 1 37 37 SER CA C 13 56.57 0.10 . 1 . . . . 341 SER CA . 16841 1 308 . 1 1 37 37 SER CB C 13 64.84 0.10 . 1 . . . . 341 SER CB . 16841 1 309 . 1 1 37 37 SER N N 15 121.26 0.10 . 1 . . . . 341 SER N . 16841 1 310 . 1 1 38 38 CYS HA H 1 5.63 0.02 . 1 . . . . 342 CYS HA . 16841 1 311 . 1 1 38 38 CYS HB2 H 1 2.43 0.02 . 1 . . . . 342 CYS HB2 . 16841 1 312 . 1 1 38 38 CYS HB3 H 1 3.12 0.02 . 1 . . . . 342 CYS HB3 . 16841 1 313 . 1 1 38 38 CYS CA C 13 55.48 0.10 . 1 . . . . 342 CYS CA . 16841 1 314 . 1 1 38 38 CYS CB C 13 49.37 0.10 . 1 . . . . 342 CYS CB . 16841 1 315 . 1 1 39 39 GLN H H 1 8.65 0.02 . 1 . . . . 343 GLN H . 16841 1 316 . 1 1 39 39 GLN HA H 1 4.71 0.02 . 1 . . . . 343 GLN HA . 16841 1 317 . 1 1 39 39 GLN HB2 H 1 2.06 0.02 . 1 . . . . 343 GLN HB2 . 16841 1 318 . 1 1 39 39 GLN HB3 H 1 2.28 0.02 . 1 . . . . 343 GLN HB3 . 16841 1 319 . 1 1 39 39 GLN HG2 H 1 2.28 0.02 . 2 . . . . 343 GLN HG1 . 16841 1 320 . 1 1 39 39 GLN HG3 H 1 2.28 0.02 . 2 . . . . 343 GLN HG2 . 16841 1 321 . 1 1 39 39 GLN CA C 13 53.96 0.10 . 1 . . . . 343 GLN CA . 16841 1 322 . 1 1 39 39 GLN CB C 13 32.84 0.10 . 1 . . . . 343 GLN CB . 16841 1 323 . 1 1 39 39 GLN CG C 13 33.30 0.10 . 1 . . . . 343 GLN CG . 16841 1 324 . 1 1 39 39 GLN N N 15 120.03 0.10 . 1 . . . . 343 GLN N . 16841 1 325 . 1 1 40 40 GLU H H 1 8.92 0.02 . 1 . . . . 344 GLU H . 16841 1 326 . 1 1 40 40 GLU HA H 1 4.65 0.02 . 1 . . . . 344 GLU HA . 16841 1 327 . 1 1 40 40 GLU HB2 H 1 2.02 0.02 . 2 . . . . 344 GLU HB1 . 16841 1 328 . 1 1 40 40 GLU HB3 H 1 2.02 0.02 . 2 . . . . 344 GLU HB2 . 16841 1 329 . 1 1 40 40 GLU HG2 H 1 2.99 0.02 . 1 . . . . 344 GLU HG2 . 16841 1 330 . 1 1 40 40 GLU HG3 H 1 3.34 0.02 . 1 . . . . 344 GLU HG3 . 16841 1 331 . 1 1 40 40 GLU CA C 13 57.76 0.10 . 1 . . . . 344 GLU CA . 16841 1 332 . 1 1 40 40 GLU CB C 13 30.26 0.10 . 1 . . . . 344 GLU CB . 16841 1 333 . 1 1 40 40 GLU CG C 13 37.02 0.10 . 1 . . . . 344 GLU CG . 16841 1 334 . 1 1 40 40 GLU N N 15 124.42 0.10 . 1 . . . . 344 GLU N . 16841 1 335 . 1 1 41 41 THR H H 1 8.28 0.02 . 1 . . . . 345 THR H . 16841 1 336 . 1 1 41 41 THR HA H 1 4.46 0.02 . 1 . . . . 345 THR HA . 16841 1 337 . 1 1 41 41 THR HB H 1 4.06 0.02 . 1 . . . . 345 THR HB . 16841 1 338 . 1 1 41 41 THR HG21 H 1 1.05 0.02 . 1 . . . . 345 THR HG2 . 16841 1 339 . 1 1 41 41 THR HG22 H 1 1.05 0.02 . 1 . . . . 345 THR HG2 . 16841 1 340 . 1 1 41 41 THR HG23 H 1 1.05 0.02 . 1 . . . . 345 THR HG2 . 16841 1 341 . 1 1 41 41 THR CA C 13 61.10 0.10 . 1 . . . . 345 THR CA . 16841 1 342 . 1 1 41 41 THR CB C 13 70.38 0.10 . 1 . . . . 345 THR CB . 16841 1 343 . 1 1 41 41 THR CG2 C 13 21.66 0.10 . 1 . . . . 345 THR CG . 16841 1 344 . 1 1 41 41 THR N N 15 116.43 0.10 . 1 . . . . 345 THR N . 16841 1 345 . 1 1 42 42 ALA H H 1 8.29 0.02 . 1 . . . . 346 ALA H . 16841 1 346 . 1 1 42 42 ALA HA H 1 4.50 0.02 . 1 . . . . 346 ALA HA . 16841 1 347 . 1 1 42 42 ALA HB1 H 1 1.39 0.02 . 1 . . . . 346 ALA HB . 16841 1 348 . 1 1 42 42 ALA HB2 H 1 1.39 0.02 . 1 . . . . 346 ALA HB . 16841 1 349 . 1 1 42 42 ALA HB3 H 1 1.39 0.02 . 1 . . . . 346 ALA HB . 16841 1 350 . 1 1 42 42 ALA CA C 13 51.98 0.10 . 1 . . . . 346 ALA CA . 16841 1 351 . 1 1 42 42 ALA CB C 13 19.90 0.10 . 1 . . . . 346 ALA CB . 16841 1 352 . 1 1 42 42 ALA N N 15 126.08 0.10 . 1 . . . . 346 ALA N . 16841 1 353 . 1 1 43 43 VAL H H 1 8.13 0.02 . 1 . . . . 347 VAL H . 16841 1 354 . 1 1 43 43 VAL HA H 1 4.19 0.02 . 1 . . . . 347 VAL HA . 16841 1 355 . 1 1 43 43 VAL HB H 1 2.11 0.02 . 1 . . . . 347 VAL HB . 16841 1 356 . 1 1 43 43 VAL HG11 H 1 0.99 0.02 . 2 . . . . 347 VAL HG1 . 16841 1 357 . 1 1 43 43 VAL HG12 H 1 0.99 0.02 . 2 . . . . 347 VAL HG1 . 16841 1 358 . 1 1 43 43 VAL HG13 H 1 0.99 0.02 . 2 . . . . 347 VAL HG1 . 16841 1 359 . 1 1 43 43 VAL HG21 H 1 0.99 0.02 . 2 . . . . 347 VAL HG2 . 16841 1 360 . 1 1 43 43 VAL HG22 H 1 0.99 0.02 . 2 . . . . 347 VAL HG2 . 16841 1 361 . 1 1 43 43 VAL HG23 H 1 0.99 0.02 . 2 . . . . 347 VAL HG2 . 16841 1 362 . 1 1 43 43 VAL CA C 13 62.25 0.10 . 1 . . . . 347 VAL CA . 16841 1 363 . 1 1 43 43 VAL CB C 13 32.83 0.10 . 1 . . . . 347 VAL CB . 16841 1 364 . 1 1 43 43 VAL CG1 C 13 21.07 0.10 . 2 . . . . 347 VAL CG1 . 16841 1 365 . 1 1 43 43 VAL CG2 C 13 21.07 0.10 . 2 . . . . 347 VAL CG2 . 16841 1 366 . 1 1 43 43 VAL N N 15 119.27 0.10 . 1 . . . . 347 VAL N . 16841 1 367 . 1 1 44 44 THR H H 1 8.23 0.02 . 1 . . . . 348 THR H . 16841 1 368 . 1 1 44 44 THR HA H 1 4.28 0.02 . 1 . . . . 348 THR HA . 16841 1 369 . 1 1 44 44 THR HB H 1 4.12 0.02 . 1 . . . . 348 THR HB . 16841 1 370 . 1 1 44 44 THR HG21 H 1 1.32 0.02 . 1 . . . . 348 THR HG2 . 16841 1 371 . 1 1 44 44 THR HG22 H 1 1.32 0.02 . 1 . . . . 348 THR HG2 . 16841 1 372 . 1 1 44 44 THR HG23 H 1 1.32 0.02 . 1 . . . . 348 THR HG2 . 16841 1 373 . 1 1 44 44 THR CA C 13 63.08 0.10 . 1 . . . . 348 THR CA . 16841 1 374 . 1 1 44 44 THR CB C 13 70.01 0.10 . 1 . . . . 348 THR CB . 16841 1 375 . 1 1 44 44 THR CG2 C 13 22.39 0.10 . 1 . . . . 348 THR CG2 . 16841 1 376 . 1 1 44 44 THR N N 15 119.73 0.10 . 1 . . . . 348 THR N . 16841 1 377 . 1 1 45 45 GLN H H 1 8.46 0.02 . 1 . . . . 349 GLN H . 16841 1 378 . 1 1 45 45 GLN HA H 1 4.68 0.02 . 1 . . . . 349 GLN HA . 16841 1 379 . 1 1 45 45 GLN HB2 H 1 2.13 0.02 . 1 . . . . 349 GLN HB2 . 16841 1 380 . 1 1 45 45 GLN HB3 H 1 2.26 0.02 . 1 . . . . 349 GLN HB3 . 16841 1 381 . 1 1 45 45 GLN HG2 H 1 2.19 0.02 . 1 . . . . 349 GLN HG2 . 16841 1 382 . 1 1 45 45 GLN HG3 H 1 2.43 0.02 . 1 . . . . 349 GLN HG3 . 16841 1 383 . 1 1 45 45 GLN CA C 13 55.61 0.10 . 1 . . . . 349 GLN CA . 16841 1 384 . 1 1 45 45 GLN CB C 13 30.31 0.10 . 1 . . . . 349 GLN CB . 16841 1 385 . 1 1 45 45 GLN CG C 13 34.23 0.10 . 1 . . . . 349 GLN CG . 16841 1 386 . 1 1 45 45 GLN N N 15 125.57 0.10 . 1 . . . . 349 GLN N . 16841 1 387 . 1 1 46 46 THR H H 1 7.97 0.02 . 1 . . . . 350 THR H . 16841 1 388 . 1 1 46 46 THR HA H 1 5.68 0.02 . 1 . . . . 350 THR HA . 16841 1 389 . 1 1 46 46 THR HB H 1 3.93 0.02 . 1 . . . . 350 THR HB . 16841 1 390 . 1 1 46 46 THR HG21 H 1 1.18 0.02 . 1 . . . . 350 THR HG2 . 16841 1 391 . 1 1 46 46 THR HG22 H 1 1.18 0.02 . 1 . . . . 350 THR HG2 . 16841 1 392 . 1 1 46 46 THR HG23 H 1 1.18 0.02 . 1 . . . . 350 THR HG2 . 16841 1 393 . 1 1 46 46 THR CA C 13 58.97 0.10 . 1 . . . . 350 THR CA . 16841 1 394 . 1 1 46 46 THR CB C 13 72.70 0.10 . 1 . . . . 350 THR CB . 16841 1 395 . 1 1 46 46 THR CG2 C 13 24.38 0.10 . 1 . . . . 350 THR CG2 . 16841 1 396 . 1 1 46 46 THR N N 15 111.62 0.10 . 1 . . . . 350 THR N . 16841 1 397 . 1 1 47 47 TYR H H 1 8.71 0.02 . 1 . . . . 351 TYR H . 16841 1 398 . 1 1 47 47 TYR HA H 1 4.81 0.02 . 1 . . . . 351 TYR HA . 16841 1 399 . 1 1 47 47 TYR HB2 H 1 2.94 0.02 . 1 . . . . 351 TYR HB2 . 16841 1 400 . 1 1 47 47 TYR HB3 H 1 3.10 0.02 . 1 . . . . 351 TYR HB3 . 16841 1 401 . 1 1 47 47 TYR CA C 13 56.88 0.10 . 1 . . . . 351 TYR CA . 16841 1 402 . 1 1 47 47 TYR CB C 13 40.62 0.10 . 1 . . . . 351 TYR CB . 16841 1 403 . 1 1 47 47 TYR N N 15 115.80 0.10 . 1 . . . . 351 TYR N . 16841 1 404 . 1 1 48 48 GLY H H 1 8.79 0.02 . 1 . . . . 352 GLY H . 16841 1 405 . 1 1 48 48 GLY HA2 H 1 3.86 0.02 . 2 . . . . 352 GLY HA1 . 16841 1 406 . 1 1 48 48 GLY HA3 H 1 3.86 0.02 . 2 . . . . 352 GLY HA2 . 16841 1 407 . 1 1 48 48 GLY CA C 13 46.83 0.10 . 1 . . . . 352 GLY CA . 16841 1 408 . 1 1 48 48 GLY N N 15 106.28 0.10 . 1 . . . . 352 GLY N . 16841 1 409 . 1 1 49 49 GLY H H 1 7.37 0.02 . 1 . . . . 353 GLY H . 16841 1 410 . 1 1 49 49 GLY HA2 H 1 2.79 0.02 . 1 . . . . 353 GLY HA2 . 16841 1 411 . 1 1 49 49 GLY HA3 H 1 3.44 0.02 . 1 . . . . 353 GLY HA3 . 16841 1 412 . 1 1 49 49 GLY CA C 13 45.08 0.10 . 1 . . . . 353 GLY CA . 16841 1 413 . 1 1 49 49 GLY N N 15 108.24 0.10 . 1 . . . . 353 GLY N . 16841 1 414 . 1 1 50 50 ASN H H 1 6.25 0.02 . 1 . . . . 354 ASN H . 16841 1 415 . 1 1 50 50 ASN HA H 1 4.67 0.02 . 1 . . . . 354 ASN HA . 16841 1 416 . 1 1 50 50 ASN HB2 H 1 2.48 0.02 . 1 . . . . 354 ASN HB2 . 16841 1 417 . 1 1 50 50 ASN HB3 H 1 3.20 0.02 . 1 . . . . 354 ASN HB3 . 16841 1 418 . 1 1 50 50 ASN CA C 13 52.30 0.10 . 1 . . . . 354 ASN CA . 16841 1 419 . 1 1 50 50 ASN CB C 13 37.26 0.10 . 1 . . . . 354 ASN CB . 16841 1 420 . 1 1 50 50 ASN N N 15 118.58 0.10 . 1 . . . . 354 ASN N . 16841 1 421 . 1 1 51 51 SER H H 1 7.68 0.02 . 1 . . . . 355 SER H . 16841 1 422 . 1 1 51 51 SER HA H 1 4.50 0.02 . 1 . . . . 355 SER HA . 16841 1 423 . 1 1 51 51 SER HB2 H 1 3.74 0.02 . 2 . . . . 355 SER HB1 . 16841 1 424 . 1 1 51 51 SER HB3 H 1 3.74 0.02 . 2 . . . . 355 SER HB2 . 16841 1 425 . 1 1 51 51 SER CA C 13 57.39 0.10 . 1 . . . . 355 SER CA . 16841 1 426 . 1 1 51 51 SER CB C 13 64.65 0.10 . 1 . . . . 355 SER CB . 16841 1 427 . 1 1 51 51 SER N N 15 113.71 0.10 . 1 . . . . 355 SER N . 16841 1 428 . 1 1 52 52 ASN H H 1 7.95 0.02 . 1 . . . . 356 ASN H . 16841 1 429 . 1 1 52 52 ASN HA H 1 4.13 0.02 . 1 . . . . 356 ASN HA . 16841 1 430 . 1 1 52 52 ASN HB2 H 1 2.67 0.02 . 1 . . . . 356 ASN HB2 . 16841 1 431 . 1 1 52 52 ASN HB3 H 1 3.11 0.02 . 1 . . . . 356 ASN HB3 . 16841 1 432 . 1 1 52 52 ASN CA C 13 53.97 0.10 . 1 . . . . 356 ASN CA . 16841 1 433 . 1 1 52 52 ASN CB C 13 37.35 0.10 . 1 . . . . 356 ASN CB . 16841 1 434 . 1 1 52 52 ASN N N 15 117.96 0.10 . 1 . . . . 356 ASN N . 16841 1 435 . 1 1 53 53 GLY H H 1 8.88 0.02 . 1 . . . . 357 GLY H . 16841 1 436 . 1 1 53 53 GLY HA2 H 1 3.25 0.02 . 1 . . . . 357 GLY HA2 . 16841 1 437 . 1 1 53 53 GLY HA3 H 1 3.91 0.02 . 1 . . . . 357 GLY HA3 . 16841 1 438 . 1 1 53 53 GLY CA C 13 46.74 0.10 . 1 . . . . 357 GLY CA . 16841 1 439 . 1 1 53 53 GLY N N 15 106.50 0.10 . 1 . . . . 357 GLY N . 16841 1 440 . 1 1 54 54 GLU H H 1 7.39 0.02 . 1 . . . . 358 GLU H . 16841 1 441 . 1 1 54 54 GLU HA H 1 4.24 0.02 . 1 . . . . 358 GLU HA . 16841 1 442 . 1 1 54 54 GLU HB2 H 1 1.75 0.02 . 1 . . . . 358 GLU HB2 . 16841 1 443 . 1 1 54 54 GLU HB3 H 1 2.19 0.02 . 1 . . . . 358 GLU HB3 . 16841 1 444 . 1 1 54 54 GLU CA C 13 56.16 0.10 . 1 . . . . 358 GLU CA . 16841 1 445 . 1 1 54 54 GLU CB C 13 28.49 0.10 . 1 . . . . 358 GLU CB . 16841 1 446 . 1 1 54 54 GLU N N 15 122.09 0.10 . 1 . . . . 358 GLU N . 16841 1 447 . 1 1 55 55 PRO HA H 1 4.43 0.02 . 1 . . . . 359 PRO HA . 16841 1 448 . 1 1 55 55 PRO HB2 H 1 1.88 0.02 . 1 . . . . 359 PRO HB2 . 16841 1 449 . 1 1 55 55 PRO HB3 H 1 2.35 0.02 . 1 . . . . 359 PRO HB3 . 16841 1 450 . 1 1 55 55 PRO CA C 13 62.61 0.10 . 1 . . . . 359 PRO CA . 16841 1 451 . 1 1 55 55 PRO CB C 13 32.49 0.10 . 1 . . . . 359 PRO CB . 16841 1 452 . 1 1 56 56 CYS H H 1 7.88 0.02 . 1 . . . . 360 CYS H . 16841 1 453 . 1 1 56 56 CYS HA H 1 4.52 0.02 . 1 . . . . 360 CYS HA . 16841 1 454 . 1 1 56 56 CYS HB2 H 1 2.43 0.02 . 1 . . . . 360 CYS HB2 . 16841 1 455 . 1 1 56 56 CYS HB3 H 1 2.79 0.02 . 1 . . . . 360 CYS HB3 . 16841 1 456 . 1 1 56 56 CYS CA C 13 53.36 0.10 . 1 . . . . 360 CYS CA . 16841 1 457 . 1 1 56 56 CYS CB C 13 36.93 0.10 . 1 . . . . 360 CYS CB . 16841 1 458 . 1 1 56 56 CYS N N 15 115.74 0.10 . 1 . . . . 360 CYS N . 16841 1 459 . 1 1 57 57 VAL H H 1 8.54 0.02 . 1 . . . . 361 VAL H . 16841 1 460 . 1 1 57 57 VAL HA H 1 3.92 0.02 . 1 . . . . 361 VAL HA . 16841 1 461 . 1 1 57 57 VAL HB H 1 1.41 0.02 . 1 . . . . 361 VAL HB . 16841 1 462 . 1 1 57 57 VAL HG11 H 1 0.83 0.02 . 1 . . . . 361 VAL HG1 . 16841 1 463 . 1 1 57 57 VAL HG12 H 1 0.83 0.02 . 1 . . . . 361 VAL HG1 . 16841 1 464 . 1 1 57 57 VAL HG13 H 1 0.83 0.02 . 1 . . . . 361 VAL HG1 . 16841 1 465 . 1 1 57 57 VAL HG21 H 1 0.71 0.02 . 1 . . . . 361 VAL HG2 . 16841 1 466 . 1 1 57 57 VAL HG22 H 1 0.71 0.02 . 1 . . . . 361 VAL HG2 . 16841 1 467 . 1 1 57 57 VAL HG23 H 1 0.71 0.02 . 1 . . . . 361 VAL HG2 . 16841 1 468 . 1 1 57 57 VAL CA C 13 63.55 0.10 . 1 . . . . 361 VAL CA . 16841 1 469 . 1 1 57 57 VAL CB C 13 32.18 0.10 . 1 . . . . 361 VAL CB . 16841 1 470 . 1 1 57 57 VAL CG1 C 13 21.18 0.10 . 1 . . . . 361 VAL CG1 . 16841 1 471 . 1 1 57 57 VAL CG2 C 13 22.41 0.10 . 1 . . . . 361 VAL CG2 . 16841 1 472 . 1 1 57 57 VAL N N 15 126.06 0.10 . 1 . . . . 361 VAL N . 16841 1 473 . 1 1 58 58 LEU H H 1 7.71 0.02 . 1 . . . . 362 LEU H . 16841 1 474 . 1 1 58 58 LEU HA H 1 4.84 0.02 . 1 . . . . 362 LEU HA . 16841 1 475 . 1 1 58 58 LEU HB2 H 1 1.16 0.02 . 1 . . . . 362 LEU HB2 . 16841 1 476 . 1 1 58 58 LEU HB3 H 1 1.77 0.02 . 1 . . . . 362 LEU HB3 . 16841 1 477 . 1 1 58 58 LEU HG H 1 1.11 0.02 . 1 . . . . 362 LEU HG . 16841 1 478 . 1 1 58 58 LEU CA C 13 50.30 0.10 . 1 . . . . 362 LEU CA . 16841 1 479 . 1 1 58 58 LEU CB C 13 44.49 0.10 . 1 . . . . 362 LEU CB . 16841 1 480 . 1 1 58 58 LEU N N 15 121.20 0.10 . 1 . . . . 362 LEU N . 16841 1 481 . 1 1 59 59 PRO HA H 1 4.95 0.02 . 1 . . . . 363 PRO HA . 16841 1 482 . 1 1 59 59 PRO HB2 H 1 1.44 0.02 . 2 . . . . 363 PRO HB1 . 16841 1 483 . 1 1 59 59 PRO HB3 H 1 1.44 0.02 . 2 . . . . 363 PRO HB2 . 16841 1 484 . 1 1 59 59 PRO CA C 13 62.72 0.10 . 1 . . . . 363 PRO CA . 16841 1 485 . 1 1 59 59 PRO CB C 13 35.54 0.10 . 1 . . . . 363 PRO CB . 16841 1 486 . 1 1 60 60 PHE H H 1 8.26 0.02 . 1 . . . . 364 PHE H . 16841 1 487 . 1 1 60 60 PHE HA H 1 5.57 0.02 . 1 . . . . 364 PHE HA . 16841 1 488 . 1 1 60 60 PHE HB2 H 1 3.29 0.02 . 1 . . . . 364 PHE HB2 . 16841 1 489 . 1 1 60 60 PHE HB3 H 1 3.72 0.02 . 1 . . . . 364 PHE HB3 . 16841 1 490 . 1 1 60 60 PHE CA C 13 55.62 0.10 . 1 . . . . 364 PHE CA . 16841 1 491 . 1 1 60 60 PHE CB C 13 42.14 0.10 . 1 . . . . 364 PHE CB . 16841 1 492 . 1 1 60 60 PHE N N 15 113.32 0.10 . 1 . . . . 364 PHE N . 16841 1 493 . 1 1 61 61 THR H H 1 8.86 0.02 . 1 . . . . 365 THR H . 16841 1 494 . 1 1 61 61 THR HA H 1 5.66 0.02 . 1 . . . . 365 THR HA . 16841 1 495 . 1 1 61 61 THR HB H 1 4.20 0.02 . 1 . . . . 365 THR HB . 16841 1 496 . 1 1 61 61 THR HG21 H 1 1.19 0.02 . 1 . . . . 365 THR HG2 . 16841 1 497 . 1 1 61 61 THR HG22 H 1 1.19 0.02 . 1 . . . . 365 THR HG2 . 16841 1 498 . 1 1 61 61 THR HG23 H 1 1.19 0.02 . 1 . . . . 365 THR HG2 . 16841 1 499 . 1 1 61 61 THR CA C 13 60.48 0.10 . 1 . . . . 365 THR CA . 16841 1 500 . 1 1 61 61 THR CB C 13 71.22 0.10 . 1 . . . . 365 THR CB . 16841 1 501 . 1 1 61 61 THR CG2 C 13 21.71 0.10 . 1 . . . . 365 THR CG2 . 16841 1 502 . 1 1 61 61 THR N N 15 113.92 0.10 . 1 . . . . 365 THR N . 16841 1 503 . 1 1 62 62 TYR H H 1 9.11 0.02 . 1 . . . . 366 TYR H . 16841 1 504 . 1 1 62 62 TYR HA H 1 5.24 0.02 . 1 . . . . 366 TYR HA . 16841 1 505 . 1 1 62 62 TYR HB2 H 1 3.06 0.02 . 1 . . . . 366 TYR HB2 . 16841 1 506 . 1 1 62 62 TYR HB3 H 1 3.68 0.02 . 1 . . . . 366 TYR HB3 . 16841 1 507 . 1 1 62 62 TYR CA C 13 57.29 0.10 . 1 . . . . 366 TYR CA . 16841 1 508 . 1 1 62 62 TYR CB C 13 41.24 0.10 . 1 . . . . 366 TYR CB . 16841 1 509 . 1 1 62 62 TYR N N 15 123.28 0.10 . 1 . . . . 366 TYR N . 16841 1 510 . 1 1 63 63 ASN H H 1 9.48 0.02 . 1 . . . . 367 ASN H . 16841 1 511 . 1 1 63 63 ASN HA H 1 4.23 0.02 . 1 . . . . 367 ASN HA . 16841 1 512 . 1 1 63 63 ASN HB2 H 1 1.71 0.02 . 1 . . . . 367 ASN HB2 . 16841 1 513 . 1 1 63 63 ASN HB3 H 1 2.92 0.02 . 1 . . . . 367 ASN HB3 . 16841 1 514 . 1 1 63 63 ASN CA C 13 53.35 0.10 . 1 . . . . 367 ASN CA . 16841 1 515 . 1 1 63 63 ASN CB C 13 37.06 0.10 . 1 . . . . 367 ASN CB . 16841 1 516 . 1 1 63 63 ASN N N 15 129.11 0.10 . 1 . . . . 367 ASN N . 16841 1 517 . 1 1 64 64 GLY H H 1 8.78 0.02 . 1 . . . . 368 GLY H . 16841 1 518 . 1 1 64 64 GLY HA2 H 1 3.64 0.02 . 1 . . . . 368 GLY HA2 . 16841 1 519 . 1 1 64 64 GLY HA3 H 1 4.10 0.02 . 1 . . . . 368 GLY HA3 . 16841 1 520 . 1 1 64 64 GLY CA C 13 45.72 0.10 . 1 . . . . 368 GLY CA . 16841 1 521 . 1 1 64 64 GLY N N 15 103.51 0.10 . 1 . . . . 368 GLY N . 16841 1 522 . 1 1 65 65 ARG H H 1 7.92 0.02 . 1 . . . . 369 ARG H . 16841 1 523 . 1 1 65 65 ARG HA H 1 4.54 0.02 . 1 . . . . 369 ARG HA . 16841 1 524 . 1 1 65 65 ARG HB2 H 1 1.51 0.02 . 1 . . . . 369 ARG HB2 . 16841 1 525 . 1 1 65 65 ARG HB3 H 1 1.76 0.02 . 1 . . . . 369 ARG HB3 . 16841 1 526 . 1 1 65 65 ARG HD2 H 1 3.08 0.02 . 1 . . . . 369 ARG HD2 . 16841 1 527 . 1 1 65 65 ARG HD3 H 1 3.11 0.02 . 1 . . . . 369 ARG HD3 . 16841 1 528 . 1 1 65 65 ARG HG2 H 1 1.26 0.02 . 1 . . . . 369 ARG HG2 . 16841 1 529 . 1 1 65 65 ARG HG3 H 1 1.50 0.02 . 1 . . . . 369 ARG HG3 . 16841 1 530 . 1 1 65 65 ARG CA C 13 54.69 0.10 . 1 . . . . 369 ARG CA . 16841 1 531 . 1 1 65 65 ARG CB C 13 33.16 0.10 . 1 . . . . 369 ARG CB . 16841 1 532 . 1 1 65 65 ARG CD C 13 43.74 0.10 . 1 . . . . 369 ARG CD . 16841 1 533 . 1 1 65 65 ARG CG C 13 27.05 0.10 . 1 . . . . 369 ARG CG . 16841 1 534 . 1 1 65 65 ARG N N 15 121.66 0.10 . 1 . . . . 369 ARG N . 16841 1 535 . 1 1 66 66 THR H H 1 8.07 0.02 . 1 . . . . 370 THR H . 16841 1 536 . 1 1 66 66 THR HA H 1 4.50 0.02 . 1 . . . . 370 THR HA . 16841 1 537 . 1 1 66 66 THR HB H 1 3.67 0.02 . 1 . . . . 370 THR HB . 16841 1 538 . 1 1 66 66 THR HG21 H 1 0.72 0.02 . 1 . . . . 370 THR HG2 . 16841 1 539 . 1 1 66 66 THR HG22 H 1 0.72 0.02 . 1 . . . . 370 THR HG2 . 16841 1 540 . 1 1 66 66 THR HG23 H 1 0.72 0.02 . 1 . . . . 370 THR HG2 . 16841 1 541 . 1 1 66 66 THR CA C 13 62.44 0.10 . 1 . . . . 370 THR CA . 16841 1 542 . 1 1 66 66 THR CB C 13 69.84 0.10 . 1 . . . . 370 THR CB . 16841 1 543 . 1 1 66 66 THR CG2 C 13 22.49 0.10 . 1 . . . . 370 THR CG2 . 16841 1 544 . 1 1 66 66 THR N N 15 117.79 0.10 . 1 . . . . 370 THR N . 16841 1 545 . 1 1 67 67 PHE H H 1 9.00 0.02 . 1 . . . . 371 PHE H . 16841 1 546 . 1 1 67 67 PHE HA H 1 4.26 0.02 . 1 . . . . 371 PHE HA . 16841 1 547 . 1 1 67 67 PHE HB2 H 1 2.59 0.02 . 2 . . . . 371 PHE HB2 . 16841 1 548 . 1 1 67 67 PHE HB3 H 1 2.59 0.02 . 2 . . . . 371 PHE HB3 . 16841 1 549 . 1 1 67 67 PHE CA C 13 57.73 0.10 . 1 . . . . 371 PHE CA . 16841 1 550 . 1 1 67 67 PHE CB C 13 41.06 0.10 . 1 . . . . 371 PHE CB . 16841 1 551 . 1 1 67 67 PHE N N 15 126.23 0.10 . 1 . . . . 371 PHE N . 16841 1 552 . 1 1 68 68 TYR H H 1 8.86 0.02 . 1 . . . . 372 TYR H . 16841 1 553 . 1 1 68 68 TYR HA H 1 4.28 0.02 . 1 . . . . 372 TYR HA . 16841 1 554 . 1 1 68 68 TYR HB2 H 1 2.64 0.02 . 1 . . . . 372 TYR HB2 . 16841 1 555 . 1 1 68 68 TYR HB3 H 1 3.42 0.02 . 1 . . . . 372 TYR HB3 . 16841 1 556 . 1 1 68 68 TYR CA C 13 58.41 0.10 . 1 . . . . 372 TYR CA . 16841 1 557 . 1 1 68 68 TYR CB C 13 39.49 0.10 . 1 . . . . 372 TYR CB . 16841 1 558 . 1 1 68 68 TYR N N 15 119.04 0.10 . 1 . . . . 372 TYR N . 16841 1 559 . 1 1 69 69 SER H H 1 7.78 0.02 . 1 . . . . 373 SER H . 16841 1 560 . 1 1 69 69 SER HA H 1 4.60 0.02 . 1 . . . . 373 SER HA . 16841 1 561 . 1 1 69 69 SER HB2 H 1 3.86 0.02 . 1 . . . . 373 SER HB2 . 16841 1 562 . 1 1 69 69 SER HB3 H 1 4.19 0.02 . 1 . . . . 373 SER HB3 . 16841 1 563 . 1 1 69 69 SER CA C 13 56.50 0.10 . 1 . . . . 373 SER CA . 16841 1 564 . 1 1 69 69 SER CB C 13 66.00 0.10 . 1 . . . . 373 SER CB . 16841 1 565 . 1 1 69 69 SER N N 15 112.48 0.10 . 1 . . . . 373 SER N . 16841 1 566 . 1 1 70 70 CYS H H 1 8.29 0.02 . 1 . . . . 374 CYS H . 16841 1 567 . 1 1 70 70 CYS HA H 1 4.65 0.02 . 1 . . . . 374 CYS HA . 16841 1 568 . 1 1 70 70 CYS HB2 H 1 2.70 0.02 . 1 . . . . 374 CYS HB2 . 16841 1 569 . 1 1 70 70 CYS HB3 H 1 3.42 0.02 . 1 . . . . 374 CYS HB3 . 16841 1 570 . 1 1 70 70 CYS CA C 13 59.03 0.10 . 1 . . . . 374 CYS CA . 16841 1 571 . 1 1 70 70 CYS CB C 13 46.78 0.10 . 1 . . . . 374 CYS CB . 16841 1 572 . 1 1 70 70 CYS N N 15 112.96 0.10 . 1 . . . . 374 CYS N . 16841 1 573 . 1 1 71 71 THR H H 1 8.57 0.02 . 1 . . . . 375 THR H . 16841 1 574 . 1 1 71 71 THR HA H 1 4.78 0.02 . 1 . . . . 375 THR HA . 16841 1 575 . 1 1 71 71 THR HB H 1 3.59 0.02 . 1 . . . . 375 THR HB . 16841 1 576 . 1 1 71 71 THR HG21 H 1 -0.19 0.02 . 1 . . . . 375 THR HG2 . 16841 1 577 . 1 1 71 71 THR HG22 H 1 -0.19 0.02 . 1 . . . . 375 THR HG2 . 16841 1 578 . 1 1 71 71 THR HG23 H 1 -0.19 0.02 . 1 . . . . 375 THR HG2 . 16841 1 579 . 1 1 71 71 THR CA C 13 59.32 0.10 . 1 . . . . 375 THR CA . 16841 1 580 . 1 1 71 71 THR CB C 13 69.90 0.10 . 1 . . . . 375 THR CB . 16841 1 581 . 1 1 71 71 THR CG2 C 13 16.59 0.10 . 1 . . . . 375 THR CG2 . 16841 1 582 . 1 1 71 71 THR N N 15 115.89 0.10 . 1 . . . . 375 THR N . 16841 1 583 . 1 1 72 72 THR H H 1 7.93 0.02 . 1 . . . . 376 THR H . 16841 1 584 . 1 1 72 72 THR HA H 1 4.98 0.02 . 1 . . . . 376 THR HA . 16841 1 585 . 1 1 72 72 THR HB H 1 4.46 0.02 . 1 . . . . 376 THR HB . 16841 1 586 . 1 1 72 72 THR HG21 H 1 1.11 0.02 . 1 . . . . 376 THR HG2 . 16841 1 587 . 1 1 72 72 THR HG22 H 1 1.11 0.02 . 1 . . . . 376 THR HG2 . 16841 1 588 . 1 1 72 72 THR HG23 H 1 1.11 0.02 . 1 . . . . 376 THR HG2 . 16841 1 589 . 1 1 72 72 THR CA C 13 61.54 0.10 . 1 . . . . 376 THR CA . 16841 1 590 . 1 1 72 72 THR CB C 13 70.08 0.10 . 1 . . . . 376 THR CB . 16841 1 591 . 1 1 72 72 THR CG2 C 13 21.81 0.10 . 1 . . . . 376 THR CG2 . 16841 1 592 . 1 1 72 72 THR N N 15 113.64 0.10 . 1 . . . . 376 THR N . 16841 1 593 . 1 1 73 73 GLU H H 1 8.53 0.02 . 1 . . . . 377 GLU H . 16841 1 594 . 1 1 73 73 GLU HA H 1 4.18 0.02 . 1 . . . . 377 GLU HA . 16841 1 595 . 1 1 73 73 GLU HB2 H 1 2.14 0.02 . 2 . . . . 377 GLU HB1 . 16841 1 596 . 1 1 73 73 GLU HB3 H 1 2.14 0.02 . 2 . . . . 377 GLU HB2 . 16841 1 597 . 1 1 73 73 GLU HG2 H 1 2.55 0.02 . 2 . . . . 377 GLU HG1 . 16841 1 598 . 1 1 73 73 GLU HG3 H 1 2.55 0.02 . 2 . . . . 377 GLU HG2 . 16841 1 599 . 1 1 73 73 GLU CA C 13 58.60 0.10 . 1 . . . . 377 GLU CA . 16841 1 600 . 1 1 73 73 GLU CB C 13 30.23 0.10 . 1 . . . . 377 GLU CB . 16841 1 601 . 1 1 73 73 GLU CG C 13 36.56 0.10 . 1 . . . . 377 GLU CG . 16841 1 602 . 1 1 73 73 GLU N N 15 125.30 0.10 . 1 . . . . 377 GLU N . 16841 1 603 . 1 1 74 74 GLY H H 1 8.85 0.02 . 1 . . . . 378 GLY H . 16841 1 604 . 1 1 74 74 GLY HA2 H 1 4.10 0.02 . 1 . . . . 378 GLY HA2 . 16841 1 605 . 1 1 74 74 GLY HA3 H 1 4.64 0.02 . 1 . . . . 378 GLY HA3 . 16841 1 606 . 1 1 74 74 GLY CA C 13 45.85 0.10 . 1 . . . . 378 GLY CA . 16841 1 607 . 1 1 74 74 GLY N N 15 110.25 0.10 . 1 . . . . 378 GLY N . 16841 1 608 . 1 1 76 76 GLN HA H 1 4.52 0.02 . 1 . . . . 380 GLN HA . 16841 1 609 . 1 1 76 76 GLN HB2 H 1 1.95 0.02 . 1 . . . . 380 GLN HB2 . 16841 1 610 . 1 1 76 76 GLN HB3 H 1 2.26 0.02 . 1 . . . . 380 GLN HB3 . 16841 1 611 . 1 1 76 76 GLN HG2 H 1 2.37 0.02 . 2 . . . . 380 GLN HG1 . 16841 1 612 . 1 1 76 76 GLN HG3 H 1 2.37 0.02 . 2 . . . . 380 GLN HG2 . 16841 1 613 . 1 1 76 76 GLN CA C 13 56.21 0.10 . 1 . . . . 380 GLN CA . 16841 1 614 . 1 1 76 76 GLN CB C 13 29.26 0.10 . 1 . . . . 380 GLN CB . 16841 1 615 . 1 1 77 77 ASP H H 1 7.84 0.02 . 1 . . . . 381 ASP H . 16841 1 616 . 1 1 77 77 ASP HA H 1 4.51 0.02 . 1 . . . . 381 ASP HA . 16841 1 617 . 1 1 77 77 ASP HB2 H 1 2.62 0.02 . 1 . . . . 381 ASP HB2 . 16841 1 618 . 1 1 77 77 ASP HB3 H 1 2.98 0.02 . 1 . . . . 381 ASP HB3 . 16841 1 619 . 1 1 77 77 ASP CA C 13 53.19 0.10 . 1 . . . . 381 ASP CA . 16841 1 620 . 1 1 77 77 ASP CB C 13 41.21 0.10 . 1 . . . . 381 ASP CB . 16841 1 621 . 1 1 77 77 ASP N N 15 116.41 0.10 . 1 . . . . 381 ASP N . 16841 1 622 . 1 1 78 78 GLY H H 1 8.06 0.02 . 1 . . . . 382 GLY H . 16841 1 623 . 1 1 78 78 GLY HA2 H 1 3.74 0.02 . 1 . . . . 382 GLY HA2 . 16841 1 624 . 1 1 78 78 GLY HA3 H 1 3.98 0.02 . 1 . . . . 382 GLY HA3 . 16841 1 625 . 1 1 78 78 GLY CA C 13 46.04 0.10 . 1 . . . . 382 GLY CA . 16841 1 626 . 1 1 78 78 GLY N N 15 107.61 0.10 . 1 . . . . 382 GLY N . 16841 1 627 . 1 1 79 79 HIS H H 1 7.63 0.02 . 1 . . . . 383 HIS H . 16841 1 628 . 1 1 79 79 HIS HA H 1 4.44 0.02 . 1 . . . . 383 HIS HA . 16841 1 629 . 1 1 79 79 HIS HB2 H 1 2.68 0.02 . 1 . . . . 383 HIS HB2 . 16841 1 630 . 1 1 79 79 HIS HB3 H 1 2.72 0.02 . 1 . . . . 383 HIS HB3 . 16841 1 631 . 1 1 79 79 HIS CA C 13 56.73 0.10 . 1 . . . . 383 HIS CA . 16841 1 632 . 1 1 79 79 HIS CB C 13 29.99 0.10 . 1 . . . . 383 HIS CB . 16841 1 633 . 1 1 79 79 HIS N N 15 118.34 0.10 . 1 . . . . 383 HIS N . 16841 1 634 . 1 1 80 80 LEU H H 1 8.16 0.02 . 1 . . . . 384 LEU H . 16841 1 635 . 1 1 80 80 LEU HA H 1 4.40 0.02 . 1 . . . . 384 LEU HA . 16841 1 636 . 1 1 80 80 LEU HB2 H 1 1.25 0.02 . 1 . . . . 384 LEU HB2 . 16841 1 637 . 1 1 80 80 LEU HB3 H 1 1.89 0.02 . 1 . . . . 384 LEU HB3 . 16841 1 638 . 1 1 80 80 LEU HD11 H 1 0.73 0.02 . 1 . . . . 384 LEU HD1 . 16841 1 639 . 1 1 80 80 LEU HD12 H 1 0.73 0.02 . 1 . . . . 384 LEU HD1 . 16841 1 640 . 1 1 80 80 LEU HD13 H 1 0.73 0.02 . 1 . . . . 384 LEU HD1 . 16841 1 641 . 1 1 80 80 LEU HD21 H 1 0.73 0.02 . 1 . . . . 384 LEU HD2 . 16841 1 642 . 1 1 80 80 LEU HD22 H 1 0.73 0.02 . 1 . . . . 384 LEU HD2 . 16841 1 643 . 1 1 80 80 LEU HD23 H 1 0.73 0.02 . 1 . . . . 384 LEU HD2 . 16841 1 644 . 1 1 80 80 LEU HG H 1 1.63 0.02 . 1 . . . . 384 LEU HG . 16841 1 645 . 1 1 80 80 LEU CA C 13 54.57 0.10 . 1 . . . . 384 LEU CA . 16841 1 646 . 1 1 80 80 LEU CB C 13 45.03 0.10 . 1 . . . . 384 LEU CB . 16841 1 647 . 1 1 80 80 LEU CD1 C 13 25.54 0.10 . 1 . . . . 384 LEU CD1 . 16841 1 648 . 1 1 80 80 LEU CD2 C 13 24.81 0.10 . 1 . . . . 384 LEU CD2 . 16841 1 649 . 1 1 80 80 LEU CG C 13 27.21 0.10 . 1 . . . . 384 LEU CG . 16841 1 650 . 1 1 80 80 LEU N N 15 122.57 0.10 . 1 . . . . 384 LEU N . 16841 1 651 . 1 1 81 81 TRP H H 1 9.61 0.02 . 1 . . . . 385 TRP H . 16841 1 652 . 1 1 81 81 TRP HA H 1 5.85 0.02 . 1 . . . . 385 TRP HA . 16841 1 653 . 1 1 81 81 TRP HB2 H 1 2.91 0.02 . 1 . . . . 385 TRP HB2 . 16841 1 654 . 1 1 81 81 TRP HB3 H 1 3.35 0.02 . 1 . . . . 385 TRP HB3 . 16841 1 655 . 1 1 81 81 TRP CA C 13 56.05 0.10 . 1 . . . . 385 TRP CA . 16841 1 656 . 1 1 81 81 TRP CB C 13 33.41 0.10 . 1 . . . . 385 TRP CB . 16841 1 657 . 1 1 81 81 TRP N N 15 121.45 0.10 . 1 . . . . 385 TRP N . 16841 1 658 . 1 1 82 82 CYS H H 1 8.86 0.02 . 1 . . . . 386 CYS H . 16841 1 659 . 1 1 82 82 CYS HA H 1 4.10 0.02 . 1 . . . . 386 CYS HA . 16841 1 660 . 1 1 82 82 CYS HB2 H 1 2.85 0.02 . 1 . . . . 386 CYS HB2 . 16841 1 661 . 1 1 82 82 CYS HB3 H 1 3.37 0.02 . 1 . . . . 386 CYS HB3 . 16841 1 662 . 1 1 82 82 CYS CA C 13 53.15 0.10 . 1 . . . . 386 CYS CA . 16841 1 663 . 1 1 82 82 CYS CB C 13 43.14 0.10 . 1 . . . . 386 CYS CB . 16841 1 664 . 1 1 82 82 CYS N N 15 110.30 0.10 . 1 . . . . 386 CYS N . 16841 1 665 . 1 1 83 83 SER H H 1 3.90 0.02 . 1 . . . . 387 SER H . 16841 1 666 . 1 1 83 83 SER N N 15 111.42 0.10 . 1 . . . . 387 SER N . 16841 1 667 . 1 1 84 84 THR H H 1 8.06 0.02 . 1 . . . . 388 THR H . 16841 1 668 . 1 1 84 84 THR HA H 1 4.70 0.02 . 1 . . . . 388 THR HA . 16841 1 669 . 1 1 84 84 THR HB H 1 4.42 0.02 . 1 . . . . 388 THR HB . 16841 1 670 . 1 1 84 84 THR HG21 H 1 0.91 0.02 . 1 . . . . 388 THR HG2 . 16841 1 671 . 1 1 84 84 THR HG22 H 1 0.91 0.02 . 1 . . . . 388 THR HG2 . 16841 1 672 . 1 1 84 84 THR HG23 H 1 0.91 0.02 . 1 . . . . 388 THR HG2 . 16841 1 673 . 1 1 84 84 THR CA C 13 61.84 0.10 . 1 . . . . 388 THR CA . 16841 1 674 . 1 1 84 84 THR CB C 13 67.64 0.10 . 1 . . . . 388 THR CB . 16841 1 675 . 1 1 84 84 THR CG2 C 13 23.08 0.10 . 1 . . . . 388 THR CG2 . 16841 1 676 . 1 1 84 84 THR N N 15 115.07 0.10 . 1 . . . . 388 THR N . 16841 1 677 . 1 1 85 85 THR H H 1 8.01 0.02 . 1 . . . . 389 THR H . 16841 1 678 . 1 1 85 85 THR HA H 1 4.94 0.02 . 1 . . . . 389 THR HA . 16841 1 679 . 1 1 85 85 THR HB H 1 4.55 0.02 . 1 . . . . 389 THR HB . 16841 1 680 . 1 1 85 85 THR HG21 H 1 0.70 0.02 . 1 . . . . 389 THR HG2 . 16841 1 681 . 1 1 85 85 THR HG22 H 1 0.70 0.02 . 1 . . . . 389 THR HG2 . 16841 1 682 . 1 1 85 85 THR HG23 H 1 0.70 0.02 . 1 . . . . 389 THR HG2 . 16841 1 683 . 1 1 85 85 THR CA C 13 59.83 0.10 . 1 . . . . 389 THR CA . 16841 1 684 . 1 1 85 85 THR CB C 13 71.81 0.10 . 1 . . . . 389 THR CB . 16841 1 685 . 1 1 85 85 THR N N 15 110.25 0.10 . 1 . . . . 389 THR N . 16841 1 686 . 1 1 86 86 SER HA H 1 4.53 0.02 . 1 . . . . 390 SER HA . 16841 1 687 . 1 1 86 86 SER HB2 H 1 4.07 0.02 . 1 . . . . 390 SER HB2 . 16841 1 688 . 1 1 86 86 SER HB3 H 1 4.29 0.02 . 1 . . . . 390 SER HB3 . 16841 1 689 . 1 1 86 86 SER CA C 13 60.83 0.10 . 1 . . . . 390 SER CA . 16841 1 690 . 1 1 86 86 SER CB C 13 63.84 0.10 . 1 . . . . 390 SER CB . 16841 1 691 . 1 1 87 87 ASN H H 1 7.95 0.02 . 1 . . . . 391 ASN H . 16841 1 692 . 1 1 87 87 ASN HA H 1 5.23 0.02 . 1 . . . . 391 ASN HA . 16841 1 693 . 1 1 87 87 ASN HB2 H 1 2.23 0.02 . 1 . . . . 391 ASN HB2 . 16841 1 694 . 1 1 87 87 ASN HB3 H 1 3.09 0.02 . 1 . . . . 391 ASN HB3 . 16841 1 695 . 1 1 87 87 ASN CA C 13 51.30 0.10 . 1 . . . . 391 ASN CA . 16841 1 696 . 1 1 87 87 ASN CB C 13 38.72 0.10 . 1 . . . . 391 ASN CB . 16841 1 697 . 1 1 87 87 ASN N N 15 120.42 0.10 . 1 . . . . 391 ASN N . 16841 1 698 . 1 1 88 88 TYR H H 1 8.92 0.02 . 1 . . . . 392 TYR H . 16841 1 699 . 1 1 88 88 TYR HA H 1 4.92 0.02 . 1 . . . . 392 TYR HA . 16841 1 700 . 1 1 88 88 TYR HB2 H 1 3.46 0.02 . 1 . . . . 392 TYR HB2 . 16841 1 701 . 1 1 88 88 TYR HB3 H 1 3.59 0.02 . 1 . . . . 392 TYR HB3 . 16841 1 702 . 1 1 88 88 TYR CA C 13 61.91 0.10 . 1 . . . . 392 TYR CA . 16841 1 703 . 1 1 88 88 TYR CB C 13 38.43 0.10 . 1 . . . . 392 TYR CB . 16841 1 704 . 1 1 88 88 TYR N N 15 125.71 0.10 . 1 . . . . 392 TYR N . 16841 1 705 . 1 1 89 89 GLU H H 1 8.81 0.02 . 1 . . . . 393 GLU H . 16841 1 706 . 1 1 89 89 GLU HA H 1 3.90 0.02 . 1 . . . . 393 GLU HA . 16841 1 707 . 1 1 89 89 GLU HB2 H 1 2.26 0.02 . 1 . . . . 393 GLU HB2 . 16841 1 708 . 1 1 89 89 GLU HB3 H 1 2.17 0.02 . 1 . . . . 393 GLU HB3 . 16841 1 709 . 1 1 89 89 GLU HG2 H 1 2.57 0.02 . 1 . . . . 393 GLU HG2 . 16841 1 710 . 1 1 89 89 GLU HG3 H 1 2.26 0.02 . 1 . . . . 393 GLU HG3 . 16841 1 711 . 1 1 89 89 GLU CA C 13 59.99 0.10 . 1 . . . . 393 GLU CA . 16841 1 712 . 1 1 89 89 GLU CB C 13 29.48 0.10 . 1 . . . . 393 GLU CB . 16841 1 713 . 1 1 89 89 GLU CG C 13 37.42 0.10 . 1 . . . . 393 GLU CG . 16841 1 714 . 1 1 89 89 GLU N N 15 116.54 0.10 . 1 . . . . 393 GLU N . 16841 1 715 . 1 1 90 90 GLN H H 1 7.04 0.02 . 1 . . . . 394 GLN H . 16841 1 716 . 1 1 90 90 GLN HA H 1 4.17 0.02 . 1 . . . . 394 GLN HA . 16841 1 717 . 1 1 90 90 GLN HB2 H 1 1.85 0.02 . 1 . . . . 394 GLN HB2 . 16841 1 718 . 1 1 90 90 GLN HB3 H 1 2.04 0.02 . 1 . . . . 394 GLN HB3 . 16841 1 719 . 1 1 90 90 GLN HG2 H 1 2.88 0.02 . 2 . . . . 394 GLN HG1 . 16841 1 720 . 1 1 90 90 GLN HG3 H 1 2.88 0.02 . 2 . . . . 394 GLN HG2 . 16841 1 721 . 1 1 90 90 GLN CA C 13 57.54 0.10 . 1 . . . . 394 GLN CA . 16841 1 722 . 1 1 90 90 GLN CB C 13 30.86 0.10 . 1 . . . . 394 GLN CB . 16841 1 723 . 1 1 90 90 GLN CG C 13 34.24 0.10 . 1 . . . . 394 GLN CG . 16841 1 724 . 1 1 90 90 GLN N N 15 114.37 0.10 . 1 . . . . 394 GLN N . 16841 1 725 . 1 1 91 91 ASP H H 1 7.92 0.02 . 1 . . . . 395 ASP H . 16841 1 726 . 1 1 91 91 ASP HA H 1 4.46 0.02 . 1 . . . . 395 ASP HA . 16841 1 727 . 1 1 91 91 ASP HB2 H 1 2.49 0.02 . 1 . . . . 395 ASP HB2 . 16841 1 728 . 1 1 91 91 ASP HB3 H 1 2.69 0.02 . 1 . . . . 395 ASP HB3 . 16841 1 729 . 1 1 91 91 ASP CA C 13 56.45 0.10 . 1 . . . . 395 ASP CA . 16841 1 730 . 1 1 91 91 ASP CB C 13 41.54 0.10 . 1 . . . . 395 ASP CB . 16841 1 731 . 1 1 91 91 ASP N N 15 117.13 0.10 . 1 . . . . 395 ASP N . 16841 1 732 . 1 1 92 92 GLN H H 1 8.85 0.02 . 1 . . . . 396 GLN H . 16841 1 733 . 1 1 92 92 GLN HA H 1 2.74 0.02 . 1 . . . . 396 GLN HA . 16841 1 734 . 1 1 92 92 GLN HB2 H 1 1.92 0.02 . 1 . . . . 396 GLN HB2 . 16841 1 735 . 1 1 92 92 GLN HB3 H 1 2.03 0.02 . 1 . . . . 396 GLN HB3 . 16841 1 736 . 1 1 92 92 GLN HG2 H 1 1.94 0.02 . 2 . . . . 396 GLN HG1 . 16841 1 737 . 1 1 92 92 GLN HG3 H 1 1.94 0.02 . 2 . . . . 396 GLN HG2 . 16841 1 738 . 1 1 92 92 GLN CA C 13 56.35 0.10 . 1 . . . . 396 GLN CA . 16841 1 739 . 1 1 92 92 GLN CB C 13 26.32 0.10 . 1 . . . . 396 GLN CB . 16841 1 740 . 1 1 92 92 GLN CG C 13 34.19 0.10 . 1 . . . . 396 GLN CG . 16841 1 741 . 1 1 92 92 GLN N N 15 115.52 0.10 . 1 . . . . 396 GLN N . 16841 1 742 . 1 1 93 93 LYS H H 1 8.58 0.02 . 1 . . . . 397 LYS H . 16841 1 743 . 1 1 93 93 LYS HA H 1 5.03 0.02 . 1 . . . . 397 LYS HA . 16841 1 744 . 1 1 93 93 LYS HB2 H 1 1.50 0.02 . 1 . . . . 397 LYS HB2 . 16841 1 745 . 1 1 93 93 LYS HB3 H 1 1.85 0.02 . 1 . . . . 397 LYS HB3 . 16841 1 746 . 1 1 93 93 LYS HD2 H 1 1.37 0.02 . 1 . . . . 397 LYS HD2 . 16841 1 747 . 1 1 93 93 LYS HD3 H 1 1.48 0.02 . 1 . . . . 397 LYS HD3 . 16841 1 748 . 1 1 93 93 LYS HG2 H 1 1.17 0.02 . 1 . . . . 397 LYS HG2 . 16841 1 749 . 1 1 93 93 LYS HG3 H 1 1.31 0.02 . 1 . . . . 397 LYS HG3 . 16841 1 750 . 1 1 93 93 LYS CA C 13 54.62 0.10 . 1 . . . . 397 LYS CA . 16841 1 751 . 1 1 93 93 LYS CB C 13 33.52 0.10 . 1 . . . . 397 LYS CB . 16841 1 752 . 1 1 93 93 LYS CD C 13 28.58 0.10 . 1 . . . . 397 LYS CD . 16841 1 753 . 1 1 93 93 LYS CE C 13 42.03 0.10 . 1 . . . . 397 LYS CE . 16841 1 754 . 1 1 93 93 LYS CG C 13 23.88 0.10 . 1 . . . . 397 LYS CG . 16841 1 755 . 1 1 93 93 LYS N N 15 119.71 0.10 . 1 . . . . 397 LYS N . 16841 1 756 . 1 1 94 94 TYR H H 1 9.19 0.02 . 1 . . . . 398 TYR H . 16841 1 757 . 1 1 94 94 TYR HA H 1 5.77 0.02 . 1 . . . . 398 TYR HA . 16841 1 758 . 1 1 94 94 TYR HB2 H 1 2.86 0.02 . 1 . . . . 398 TYR HB2 . 16841 1 759 . 1 1 94 94 TYR HB3 H 1 3.11 0.02 . 1 . . . . 398 TYR HB3 . 16841 1 760 . 1 1 94 94 TYR CA C 13 55.93 0.10 . 1 . . . . 398 TYR CA . 16841 1 761 . 1 1 94 94 TYR CB C 13 43.32 0.10 . 1 . . . . 398 TYR CB . 16841 1 762 . 1 1 94 94 TYR N N 15 119.36 0.10 . 1 . . . . 398 TYR N . 16841 1 763 . 1 1 95 95 SER H H 1 8.40 0.02 . 1 . . . . 399 SER H . 16841 1 764 . 1 1 95 95 SER HA H 1 4.52 0.02 . 1 . . . . 399 SER HA . 16841 1 765 . 1 1 95 95 SER HB2 H 1 3.29 0.02 . 1 . . . . 399 SER HB2 . 16841 1 766 . 1 1 95 95 SER HB3 H 1 3.69 0.02 . 1 . . . . 399 SER HB3 . 16841 1 767 . 1 1 95 95 SER CA C 13 57.13 0.10 . 1 . . . . 399 SER CA . 16841 1 768 . 1 1 95 95 SER CB C 13 67.93 0.10 . 1 . . . . 399 SER CB . 16841 1 769 . 1 1 95 95 SER N N 15 118.04 0.10 . 1 . . . . 399 SER N . 16841 1 770 . 1 1 96 96 PHE H H 1 8.01 0.02 . 1 . . . . 400 PHE H . 16841 1 771 . 1 1 96 96 PHE HA H 1 5.67 0.02 . 1 . . . . 400 PHE HA . 16841 1 772 . 1 1 96 96 PHE HB2 H 1 1.74 0.02 . 1 . . . . 400 PHE HB2 . 16841 1 773 . 1 1 96 96 PHE HB3 H 1 2.81 0.02 . 1 . . . . 400 PHE HB3 . 16841 1 774 . 1 1 96 96 PHE CA C 13 56.03 0.10 . 1 . . . . 400 PHE CA . 16841 1 775 . 1 1 96 96 PHE CB C 13 37.93 0.10 . 1 . . . . 400 PHE CB . 16841 1 776 . 1 1 96 96 PHE N N 15 118.48 0.10 . 1 . . . . 400 PHE N . 16841 1 777 . 1 1 97 97 CYS H H 1 7.98 0.02 . 1 . . . . 401 CYS H . 16841 1 778 . 1 1 97 97 CYS HA H 1 5.53 0.02 . 1 . . . . 401 CYS HA . 16841 1 779 . 1 1 97 97 CYS HB2 H 1 3.20 0.02 . 2 . . . . 401 CYS HB1 . 16841 1 780 . 1 1 97 97 CYS HB3 H 1 3.20 0.02 . 2 . . . . 401 CYS HB2 . 16841 1 781 . 1 1 97 97 CYS CA C 13 53.29 0.10 . 1 . . . . 401 CYS CA . 16841 1 782 . 1 1 97 97 CYS CB C 13 45.69 0.10 . 1 . . . . 401 CYS CB . 16841 1 783 . 1 1 97 97 CYS N N 15 115.79 0.10 . 1 . . . . 401 CYS N . 16841 1 784 . 1 1 98 98 THR H H 1 8.59 0.02 . 1 . . . . 402 THR H . 16841 1 785 . 1 1 98 98 THR HA H 1 4.49 0.02 . 1 . . . . 402 THR HA . 16841 1 786 . 1 1 98 98 THR HB H 1 4.33 0.02 . 1 . . . . 402 THR HB . 16841 1 787 . 1 1 98 98 THR HG21 H 1 1.31 0.02 . 1 . . . . 402 THR HG2 . 16841 1 788 . 1 1 98 98 THR HG22 H 1 1.31 0.02 . 1 . . . . 402 THR HG2 . 16841 1 789 . 1 1 98 98 THR HG23 H 1 1.31 0.02 . 1 . . . . 402 THR HG2 . 16841 1 790 . 1 1 98 98 THR CA C 13 62.88 0.10 . 1 . . . . 402 THR CA . 16841 1 791 . 1 1 98 98 THR CB C 13 69.79 0.10 . 1 . . . . 402 THR CB . 16841 1 792 . 1 1 98 98 THR CG2 C 13 22.28 0.10 . 1 . . . . 402 THR CG2 . 16841 1 793 . 1 1 98 98 THR N N 15 114.89 0.10 . 1 . . . . 402 THR N . 16841 1 794 . 1 1 99 99 ASP H H 1 8.14 0.02 . 1 . . . . 403 ASP H . 16841 1 795 . 1 1 99 99 ASP HA H 1 4.59 0.02 . 1 . . . . 403 ASP HA . 16841 1 796 . 1 1 99 99 ASP HB2 H 1 2.66 0.02 . 1 . . . . 403 ASP HB2 . 16841 1 797 . 1 1 99 99 ASP HB3 H 1 2.73 0.02 . 1 . . . . 403 ASP HB3 . 16841 1 798 . 1 1 99 99 ASP CA C 13 54.39 0.10 . 1 . . . . 403 ASP CA . 16841 1 799 . 1 1 99 99 ASP CB C 13 42.10 0.10 . 1 . . . . 403 ASP CB . 16841 1 800 . 1 1 99 99 ASP N N 15 120.91 0.10 . 1 . . . . 403 ASP N . 16841 1 801 . 1 1 100 100 HIS H H 1 8.32 0.02 . 1 . . . . 404 HIS H . 16841 1 802 . 1 1 100 100 HIS HA H 1 4.71 0.02 . 1 . . . . 404 HIS HA . 16841 1 803 . 1 1 100 100 HIS HB2 H 1 3.06 0.02 . 1 . . . . 404 HIS HB2 . 16841 1 804 . 1 1 100 100 HIS HB3 H 1 3.16 0.02 . 1 . . . . 404 HIS HB3 . 16841 1 805 . 1 1 100 100 HIS CA C 13 55.98 0.10 . 1 . . . . 404 HIS CA . 16841 1 806 . 1 1 100 100 HIS CB C 13 30.96 0.10 . 1 . . . . 404 HIS CB . 16841 1 807 . 1 1 100 100 HIS N N 15 118.98 0.10 . 1 . . . . 404 HIS N . 16841 1 808 . 1 1 101 101 THR H H 1 8.06 0.02 . 1 . . . . 405 THR H . 16841 1 809 . 1 1 101 101 THR HA H 1 4.21 0.02 . 1 . . . . 405 THR HA . 16841 1 810 . 1 1 101 101 THR HB H 1 4.04 0.02 . 1 . . . . 405 THR HB . 16841 1 811 . 1 1 101 101 THR HG21 H 1 1.14 0.02 . 1 . . . . 405 THR HG2 . 16841 1 812 . 1 1 101 101 THR HG22 H 1 1.14 0.02 . 1 . . . . 405 THR HG2 . 16841 1 813 . 1 1 101 101 THR HG23 H 1 1.14 0.02 . 1 . . . . 405 THR HG2 . 16841 1 814 . 1 1 101 101 THR CA C 13 62.44 0.10 . 1 . . . . 405 THR CA . 16841 1 815 . 1 1 101 101 THR CB C 13 69.84 0.10 . 1 . . . . 405 THR CB . 16841 1 816 . 1 1 101 101 THR CG2 C 13 21.61 0.10 . 1 . . . . 405 THR CG2 . 16841 1 817 . 1 1 101 101 THR N N 15 118.01 0.10 . 1 . . . . 405 THR N . 16841 1 818 . 1 1 102 102 VAL H H 1 8.31 0.02 . 1 . . . . 406 VAL H . 16841 1 819 . 1 1 102 102 VAL HA H 1 4.10 0.02 . 1 . . . . 406 VAL HA . 16841 1 820 . 1 1 102 102 VAL HB H 1 2.14 0.02 . 1 . . . . 406 VAL HB . 16841 1 821 . 1 1 102 102 VAL HG11 H 1 0.97 0.02 . 2 . . . . 406 VAL HG1 . 16841 1 822 . 1 1 102 102 VAL HG12 H 1 0.97 0.02 . 2 . . . . 406 VAL HG1 . 16841 1 823 . 1 1 102 102 VAL HG13 H 1 0.97 0.02 . 2 . . . . 406 VAL HG1 . 16841 1 824 . 1 1 102 102 VAL HG21 H 1 0.97 0.02 . 2 . . . . 406 VAL HG2 . 16841 1 825 . 1 1 102 102 VAL HG22 H 1 0.97 0.02 . 2 . . . . 406 VAL HG2 . 16841 1 826 . 1 1 102 102 VAL HG23 H 1 0.97 0.02 . 2 . . . . 406 VAL HG2 . 16841 1 827 . 1 1 102 102 VAL CA C 13 62.59 0.10 . 1 . . . . 406 VAL CA . 16841 1 828 . 1 1 102 102 VAL CB C 13 32.15 0.10 . 1 . . . . 406 VAL CB . 16841 1 829 . 1 1 102 102 VAL CG1 C 13 21.33 0.10 . 2 . . . . 406 VAL CG1 . 16841 1 830 . 1 1 102 102 VAL CG2 C 13 21.33 0.10 . 2 . . . . 406 VAL CG2 . 16841 1 831 . 1 1 102 102 VAL N N 15 125.11 0.10 . 1 . . . . 406 VAL N . 16841 1 832 . 1 1 103 103 LEU H H 1 8.27 0.02 . 1 . . . . 407 LEU H . 16841 1 833 . 1 1 103 103 LEU HA H 1 4.62 0.02 . 1 . . . . 407 LEU HA . 16841 1 834 . 1 1 103 103 LEU HB2 H 1 1.25 0.02 . 1 . . . . 407 LEU HB2 . 16841 1 835 . 1 1 103 103 LEU HB3 H 1 1.83 0.02 . 1 . . . . 407 LEU HB3 . 16841 1 836 . 1 1 103 103 LEU HD11 H 1 0.86 0.02 . 1 . . . . 407 LEU HD1 . 16841 1 837 . 1 1 103 103 LEU HD12 H 1 0.86 0.02 . 1 . . . . 407 LEU HD1 . 16841 1 838 . 1 1 103 103 LEU HD13 H 1 0.86 0.02 . 1 . . . . 407 LEU HD1 . 16841 1 839 . 1 1 103 103 LEU HD21 H 1 0.86 0.02 . 1 . . . . 407 LEU HD2 . 16841 1 840 . 1 1 103 103 LEU HD22 H 1 0.86 0.02 . 1 . . . . 407 LEU HD2 . 16841 1 841 . 1 1 103 103 LEU HD23 H 1 0.86 0.02 . 1 . . . . 407 LEU HD2 . 16841 1 842 . 1 1 103 103 LEU HG H 1 1.80 0.02 . 1 . . . . 407 LEU HG . 16841 1 843 . 1 1 103 103 LEU CA C 13 53.75 0.10 . 1 . . . . 407 LEU CA . 16841 1 844 . 1 1 103 103 LEU CB C 13 42.86 0.10 . 1 . . . . 407 LEU CB . 16841 1 845 . 1 1 103 103 LEU CD1 C 13 23.67 0.10 . 1 . . . . 407 LEU CD1 . 16841 1 846 . 1 1 103 103 LEU CD2 C 13 22.49 0.10 . 1 . . . . 407 LEU CD2 . 16841 1 847 . 1 1 103 103 LEU CG C 13 26.29 0.10 . 1 . . . . 407 LEU CG . 16841 1 848 . 1 1 103 103 LEU N N 15 128.57 0.10 . 1 . . . . 407 LEU N . 16841 1 849 . 1 1 104 104 VAL H H 1 8.95 0.02 . 1 . . . . 408 VAL H . 16841 1 850 . 1 1 104 104 VAL HA H 1 4.07 0.02 . 1 . . . . 408 VAL HA . 16841 1 851 . 1 1 104 104 VAL HB H 1 1.74 0.02 . 1 . . . . 408 VAL HB . 16841 1 852 . 1 1 104 104 VAL HG11 H 1 1.02 0.02 . 1 . . . . 408 VAL HG1 . 16841 1 853 . 1 1 104 104 VAL HG12 H 1 1.02 0.02 . 1 . . . . 408 VAL HG1 . 16841 1 854 . 1 1 104 104 VAL HG13 H 1 1.02 0.02 . 1 . . . . 408 VAL HG1 . 16841 1 855 . 1 1 104 104 VAL HG21 H 1 0.80 0.02 . 1 . . . . 408 VAL HG2 . 16841 1 856 . 1 1 104 104 VAL HG22 H 1 0.80 0.02 . 1 . . . . 408 VAL HG2 . 16841 1 857 . 1 1 104 104 VAL HG23 H 1 0.80 0.02 . 1 . . . . 408 VAL HG2 . 16841 1 858 . 1 1 104 104 VAL CA C 13 61.91 0.10 . 1 . . . . 408 VAL CA . 16841 1 859 . 1 1 104 104 VAL CB C 13 33.44 0.10 . 1 . . . . 408 VAL CB . 16841 1 860 . 1 1 104 104 VAL CG1 C 13 21.99 0.10 . 1 . . . . 408 VAL CG1 . 16841 1 861 . 1 1 104 104 VAL CG2 C 13 21.99 0.10 . 1 . . . . 408 VAL CG2 . 16841 1 862 . 1 1 104 104 VAL N N 15 125.84 0.10 . 1 . . . . 408 VAL N . 16841 1 863 . 1 1 105 105 GLN H H 1 8.67 0.02 . 1 . . . . 409 GLN H . 16841 1 864 . 1 1 105 105 GLN HA H 1 4.09 0.02 . 1 . . . . 409 GLN HA . 16841 1 865 . 1 1 105 105 GLN HB2 H 1 1.88 0.02 . 1 . . . . 409 GLN HB2 . 16841 1 866 . 1 1 105 105 GLN HB3 H 1 2.16 0.02 . 1 . . . . 409 GLN HB3 . 16841 1 867 . 1 1 105 105 GLN HG2 H 1 2.38 0.02 . 2 . . . . 409 GLN HG1 . 16841 1 868 . 1 1 105 105 GLN HG3 H 1 2.38 0.02 . 2 . . . . 409 GLN HG2 . 16841 1 869 . 1 1 105 105 GLN CA C 13 56.80 0.10 . 1 . . . . 409 GLN CA . 16841 1 870 . 1 1 105 105 GLN CB C 13 30.18 0.10 . 1 . . . . 409 GLN CB . 16841 1 871 . 1 1 105 105 GLN CG C 13 34.96 0.10 . 1 . . . . 409 GLN CG . 16841 1 872 . 1 1 105 105 GLN N N 15 127.22 0.10 . 1 . . . . 409 GLN N . 16841 1 873 . 1 1 106 106 THR H H 1 7.02 0.02 . 1 . . . . 410 THR H . 16841 1 874 . 1 1 106 106 THR HA H 1 4.84 0.02 . 1 . . . . 410 THR HA . 16841 1 875 . 1 1 106 106 THR HB H 1 3.95 0.02 . 1 . . . . 410 THR HB . 16841 1 876 . 1 1 106 106 THR HG21 H 1 0.96 0.02 . 1 . . . . 410 THR HG2 . 16841 1 877 . 1 1 106 106 THR HG22 H 1 0.96 0.02 . 1 . . . . 410 THR HG2 . 16841 1 878 . 1 1 106 106 THR HG23 H 1 0.96 0.02 . 1 . . . . 410 THR HG2 . 16841 1 879 . 1 1 106 106 THR CA C 13 61.11 0.10 . 1 . . . . 410 THR CA . 16841 1 880 . 1 1 106 106 THR CB C 13 73.03 0.10 . 1 . . . . 410 THR CB . 16841 1 881 . 1 1 106 106 THR CG2 C 13 22.61 0.10 . 1 . . . . 410 THR CG2 . 16841 1 882 . 1 1 106 106 THR N N 15 113.24 0.10 . 1 . . . . 410 THR N . 16841 1 883 . 1 1 107 107 ARG H H 1 8.60 0.02 . 1 . . . . 411 ARG H . 16841 1 884 . 1 1 107 107 ARG HA H 1 4.72 0.02 . 1 . . . . 411 ARG HA . 16841 1 885 . 1 1 107 107 ARG HB2 H 1 1.83 0.02 . 1 . . . . 411 ARG HB2 . 16841 1 886 . 1 1 107 107 ARG HB3 H 1 1.73 0.02 . 1 . . . . 411 ARG HB3 . 16841 1 887 . 1 1 107 107 ARG HG2 H 1 1.68 0.02 . 2 . . . . 411 ARG HG2 . 16841 1 888 . 1 1 107 107 ARG HG3 H 1 1.68 0.02 . 2 . . . . 411 ARG HG3 . 16841 1 889 . 1 1 107 107 ARG HD2 H 1 3.17 0.02 . 2 . . . . 411 ARG HD1 . 16841 1 890 . 1 1 107 107 ARG HD3 H 1 3.17 0.02 . 2 . . . . 411 ARG HD2 . 16841 1 891 . 1 1 107 107 ARG CA C 13 54.19 0.10 . 1 . . . . 411 ARG CA . 16841 1 892 . 1 1 107 107 ARG CB C 13 33.76 0.10 . 1 . . . . 411 ARG CB . 16841 1 893 . 1 1 107 107 ARG CD C 13 43.61 0.10 . 1 . . . . 411 ARG CD . 16841 1 894 . 1 1 107 107 ARG CG C 13 27.06 0.10 . 1 . . . . 411 ARG CG . 16841 1 895 . 1 1 107 107 ARG N N 15 115.55 0.10 . 1 . . . . 411 ARG N . 16841 1 896 . 1 1 108 108 GLY H H 1 8.73 0.02 . 1 . . . . 412 GLY H . 16841 1 897 . 1 1 108 108 GLY HA2 H 1 3.87 0.02 . 1 . . . . 412 GLY HA2 . 16841 1 898 . 1 1 108 108 GLY HA3 H 1 4.20 0.02 . 1 . . . . 412 GLY HA3 . 16841 1 899 . 1 1 108 108 GLY CA C 13 45.92 0.10 . 1 . . . . 412 GLY CA . 16841 1 900 . 1 1 108 108 GLY N N 15 108.18 0.10 . 1 . . . . 412 GLY N . 16841 1 901 . 1 1 109 109 GLY H H 1 8.71 0.02 . 1 . . . . 413 GLY H . 16841 1 902 . 1 1 109 109 GLY HA2 H 1 2.91 0.02 . 1 . . . . 413 GLY HA2 . 16841 1 903 . 1 1 109 109 GLY HA3 H 1 3.22 0.02 . 1 . . . . 413 GLY HA3 . 16841 1 904 . 1 1 109 109 GLY CA C 13 46.38 0.10 . 1 . . . . 413 GLY CA . 16841 1 905 . 1 1 109 109 GLY N N 15 109.02 0.10 . 1 . . . . 413 GLY N . 16841 1 906 . 1 1 110 110 ASN H H 1 7.27 0.02 . 1 . . . . 414 ASN H . 16841 1 907 . 1 1 110 110 ASN HA H 1 5.00 0.02 . 1 . . . . 414 ASN HA . 16841 1 908 . 1 1 110 110 ASN HB2 H 1 2.64 0.02 . 1 . . . . 414 ASN HB2 . 16841 1 909 . 1 1 110 110 ASN HB3 H 1 3.32 0.02 . 1 . . . . 414 ASN HB3 . 16841 1 910 . 1 1 110 110 ASN CA C 13 51.08 0.10 . 1 . . . . 414 ASN CA . 16841 1 911 . 1 1 110 110 ASN CB C 13 38.06 0.10 . 1 . . . . 414 ASN CB . 16841 1 912 . 1 1 110 110 ASN N N 15 120.48 0.10 . 1 . . . . 414 ASN N . 16841 1 913 . 1 1 111 111 SER H H 1 6.62 0.02 . 1 . . . . 415 SER H . 16841 1 914 . 1 1 111 111 SER HA H 1 4.80 0.02 . 1 . . . . 415 SER HA . 16841 1 915 . 1 1 111 111 SER HB2 H 1 3.65 0.02 . 1 . . . . 415 SER HB2 . 16841 1 916 . 1 1 111 111 SER HB3 H 1 4.13 0.02 . 1 . . . . 415 SER HB3 . 16841 1 917 . 1 1 111 111 SER CA C 13 59.01 0.10 . 1 . . . . 415 SER CA . 16841 1 918 . 1 1 111 111 SER CB C 13 64.74 0.10 . 1 . . . . 415 SER CB . 16841 1 919 . 1 1 111 111 SER N N 15 108.37 0.10 . 1 . . . . 415 SER N . 16841 1 920 . 1 1 112 112 ASN H H 1 8.86 0.02 . 1 . . . . 416 ASN H . 16841 1 921 . 1 1 112 112 ASN HA H 1 4.24 0.02 . 1 . . . . 416 ASN HA . 16841 1 922 . 1 1 112 112 ASN HB2 H 1 2.36 0.02 . 1 . . . . 416 ASN HB2 . 16841 1 923 . 1 1 112 112 ASN HB3 H 1 2.57 0.02 . 1 . . . . 416 ASN HB3 . 16841 1 924 . 1 1 112 112 ASN CA C 13 54.41 0.10 . 1 . . . . 416 ASN CA . 16841 1 925 . 1 1 112 112 ASN CB C 13 38.12 0.10 . 1 . . . . 416 ASN CB . 16841 1 926 . 1 1 112 112 ASN N N 15 116.57 0.10 . 1 . . . . 416 ASN N . 16841 1 927 . 1 1 113 113 GLY H H 1 9.61 0.02 . 1 . . . . 417 GLY H . 16841 1 928 . 1 1 113 113 GLY HA2 H 1 4.09 0.02 . 2 . . . . 417 GLY HA1 . 16841 1 929 . 1 1 113 113 GLY HA3 H 1 4.09 0.02 . 2 . . . . 417 GLY HA2 . 16841 1 930 . 1 1 113 113 GLY CA C 13 45.94 0.10 . 1 . . . . 417 GLY CA . 16841 1 931 . 1 1 113 113 GLY N N 15 108.03 0.10 . 1 . . . . 417 GLY N . 16841 1 932 . 1 1 114 114 ALA H H 1 7.33 0.02 . 1 . . . . 418 ALA H . 16841 1 933 . 1 1 114 114 ALA HA H 1 4.58 0.02 . 1 . . . . 418 ALA HA . 16841 1 934 . 1 1 114 114 ALA HB1 H 1 1.93 0.02 . 1 . . . . 418 ALA HB . 16841 1 935 . 1 1 114 114 ALA HB2 H 1 1.93 0.02 . 1 . . . . 418 ALA HB . 16841 1 936 . 1 1 114 114 ALA HB3 H 1 1.93 0.02 . 1 . . . . 418 ALA HB . 16841 1 937 . 1 1 114 114 ALA CA C 13 52.30 0.10 . 1 . . . . 418 ALA CA . 16841 1 938 . 1 1 114 114 ALA CB C 13 20.01 0.10 . 1 . . . . 418 ALA CB . 16841 1 939 . 1 1 114 114 ALA N N 15 119.80 0.10 . 1 . . . . 418 ALA N . 16841 1 940 . 1 1 115 115 LEU H H 1 8.85 0.02 . 1 . . . . 419 LEU H . 16841 1 941 . 1 1 115 115 LEU HA H 1 4.83 0.02 . 1 . . . . 419 LEU HA . 16841 1 942 . 1 1 115 115 LEU HB2 H 1 1.45 0.02 . 1 . . . . 419 LEU HB2 . 16841 1 943 . 1 1 115 115 LEU HB3 H 1 1.59 0.02 . 1 . . . . 419 LEU HB3 . 16841 1 944 . 1 1 115 115 LEU HG H 1 1.59 0.02 . 1 . . . . 419 LEU HG . 16841 1 945 . 1 1 115 115 LEU HD11 H 1 0.73 0.02 . 2 . . . . 419 LEU HD1 . 16841 1 946 . 1 1 115 115 LEU HD12 H 1 0.73 0.02 . 2 . . . . 419 LEU HD1 . 16841 1 947 . 1 1 115 115 LEU HD13 H 1 0.73 0.02 . 2 . . . . 419 LEU HD1 . 16841 1 948 . 1 1 115 115 LEU HD21 H 1 0.73 0.02 . 2 . . . . 419 LEU HD2 . 16841 1 949 . 1 1 115 115 LEU HD22 H 1 0.73 0.02 . 2 . . . . 419 LEU HD2 . 16841 1 950 . 1 1 115 115 LEU HD23 H 1 0.73 0.02 . 2 . . . . 419 LEU HD2 . 16841 1 951 . 1 1 115 115 LEU CA C 13 54.32 0.10 . 1 . . . . 419 LEU CA . 16841 1 952 . 1 1 115 115 LEU CB C 13 42.24 0.10 . 1 . . . . 419 LEU CB . 16841 1 953 . 1 1 115 115 LEU CD1 C 13 23.51 0.10 . 2 . . . . 419 LEU CD1 . 16841 1 954 . 1 1 115 115 LEU CD2 C 13 23.51 0.10 . 2 . . . . 419 LEU CD2 . 16841 1 955 . 1 1 115 115 LEU CG C 13 27.23 0.10 . 1 . . . . 419 LEU CG . 16841 1 956 . 1 1 115 115 LEU N N 15 119.38 0.10 . 1 . . . . 419 LEU N . 16841 1 957 . 1 1 116 116 CYS H H 1 8.41 0.02 . 1 . . . . 420 CYS H . 16841 1 958 . 1 1 116 116 CYS HA H 1 4.10 0.02 . 1 . . . . 420 CYS HA . 16841 1 959 . 1 1 116 116 CYS HB2 H 1 1.52 0.02 . 1 . . . . 420 CYS HB2 . 16841 1 960 . 1 1 116 116 CYS HB3 H 1 1.85 0.02 . 1 . . . . 420 CYS HB3 . 16841 1 961 . 1 1 116 116 CYS CA C 13 54.39 0.10 . 1 . . . . 420 CYS CA . 16841 1 962 . 1 1 116 116 CYS CB C 13 38.45 0.10 . 1 . . . . 420 CYS CB . 16841 1 963 . 1 1 116 116 CYS N N 15 116.41 0.10 . 1 . . . . 420 CYS N . 16841 1 964 . 1 1 117 117 HIS H H 1 8.64 0.02 . 1 . . . . 421 HIS H . 16841 1 965 . 1 1 117 117 HIS HA H 1 4.27 0.02 . 1 . . . . 421 HIS HA . 16841 1 966 . 1 1 117 117 HIS HB2 H 1 2.36 0.02 . 1 . . . . 421 HIS HB2 . 16841 1 967 . 1 1 117 117 HIS HB3 H 1 2.86 0.02 . 1 . . . . 421 HIS HB3 . 16841 1 968 . 1 1 117 117 HIS CA C 13 54.61 0.10 . 1 . . . . 421 HIS CA . 16841 1 969 . 1 1 117 117 HIS CB C 13 28.94 0.10 . 1 . . . . 421 HIS CB . 16841 1 970 . 1 1 117 117 HIS N N 15 124.08 0.10 . 1 . . . . 421 HIS N . 16841 1 971 . 1 1 118 118 PHE H H 1 7.94 0.02 . 1 . . . . 422 PHE H . 16841 1 972 . 1 1 118 118 PHE HA H 1 5.65 0.02 . 1 . . . . 422 PHE HA . 16841 1 973 . 1 1 118 118 PHE HB2 H 1 2.89 0.02 . 2 . . . . 422 PHE HB1 . 16841 1 974 . 1 1 118 118 PHE HB3 H 1 2.89 0.02 . 2 . . . . 422 PHE HB2 . 16841 1 975 . 1 1 118 118 PHE CA C 13 52.05 0.10 . 1 . . . . 422 PHE CA . 16841 1 976 . 1 1 118 118 PHE CB C 13 40.38 0.10 . 1 . . . . 422 PHE CB . 16841 1 977 . 1 1 118 118 PHE N N 15 121.56 0.10 . 1 . . . . 422 PHE N . 16841 1 978 . 1 1 119 119 PRO HA H 1 3.93 0.02 . 1 . . . . 423 PRO HA . 16841 1 979 . 1 1 119 119 PRO HB2 H 1 1.83 0.02 . 1 . . . . 423 PRO HB2 . 16841 1 980 . 1 1 119 119 PRO HB3 H 1 2.04 0.02 . 1 . . . . 423 PRO HB3 . 16841 1 981 . 1 1 119 119 PRO CA C 13 62.86 0.10 . 1 . . . . 423 PRO CA . 16841 1 982 . 1 1 119 119 PRO CB C 13 34.87 0.10 . 1 . . . . 423 PRO CB . 16841 1 983 . 1 1 120 120 PHE H H 1 8.70 0.02 . 1 . . . . 424 PHE H . 16841 1 984 . 1 1 120 120 PHE HA H 1 5.88 0.02 . 1 . . . . 424 PHE HA . 16841 1 985 . 1 1 120 120 PHE HB2 H 1 3.18 0.02 . 1 . . . . 424 PHE HB2 . 16841 1 986 . 1 1 120 120 PHE HB3 H 1 4.14 0.02 . 1 . . . . 424 PHE HB3 . 16841 1 987 . 1 1 120 120 PHE CA C 13 55.46 0.10 . 1 . . . . 424 PHE CA . 16841 1 988 . 1 1 120 120 PHE CB C 13 41.49 0.10 . 1 . . . . 424 PHE CB . 16841 1 989 . 1 1 120 120 PHE N N 15 115.78 0.10 . 1 . . . . 424 PHE N . 16841 1 990 . 1 1 121 121 LEU H H 1 8.75 0.02 . 1 . . . . 425 LEU H . 16841 1 991 . 1 1 121 121 LEU HA H 1 5.07 0.02 . 1 . . . . 425 LEU HA . 16841 1 992 . 1 1 121 121 LEU HB2 H 1 1.75 0.02 . 1 . . . . 425 LEU HB2 . 16841 1 993 . 1 1 121 121 LEU HB3 H 1 2.20 0.02 . 1 . . . . 425 LEU HB3 . 16841 1 994 . 1 1 121 121 LEU HD11 H 1 0.98 0.02 . 1 . . . . 425 LEU HD1 . 16841 1 995 . 1 1 121 121 LEU HD12 H 1 0.98 0.02 . 1 . . . . 425 LEU HD1 . 16841 1 996 . 1 1 121 121 LEU HD13 H 1 0.98 0.02 . 1 . . . . 425 LEU HD1 . 16841 1 997 . 1 1 121 121 LEU HD21 H 1 0.72 0.02 . 1 . . . . 425 LEU HD2 . 16841 1 998 . 1 1 121 121 LEU HD22 H 1 0.72 0.02 . 1 . . . . 425 LEU HD2 . 16841 1 999 . 1 1 121 121 LEU HD23 H 1 0.72 0.02 . 1 . . . . 425 LEU HD2 . 16841 1 1000 . 1 1 121 121 LEU HG H 1 1.75 0.02 . 1 . . . . 425 LEU HG . 16841 1 1001 . 1 1 121 121 LEU CA C 13 54.85 0.10 . 1 . . . . 425 LEU CA . 16841 1 1002 . 1 1 121 121 LEU CB C 13 44.54 0.10 . 1 . . . . 425 LEU CB . 16841 1 1003 . 1 1 121 121 LEU CD1 C 13 25.95 0.10 . 1 . . . . 425 LEU CD1 . 16841 1 1004 . 1 1 121 121 LEU CD2 C 13 24.57 0.10 . 1 . . . . 425 LEU CD2 . 16841 1 1005 . 1 1 121 121 LEU CG C 13 27.52 0.10 . 1 . . . . 425 LEU CG . 16841 1 1006 . 1 1 121 121 LEU N N 15 124.44 0.10 . 1 . . . . 425 LEU N . 16841 1 1007 . 1 1 122 122 TYR H H 1 9.51 0.02 . 1 . . . . 426 TYR H . 16841 1 1008 . 1 1 122 122 TYR HA H 1 5.69 0.02 . 1 . . . . 426 TYR HA . 16841 1 1009 . 1 1 122 122 TYR HB2 H 1 3.11 0.02 . 1 . . . . 426 TYR HB2 . 16841 1 1010 . 1 1 122 122 TYR HB3 H 1 3.42 0.02 . 1 . . . . 426 TYR HB3 . 16841 1 1011 . 1 1 122 122 TYR CA C 13 55.39 0.10 . 1 . . . . 426 TYR CA . 16841 1 1012 . 1 1 122 122 TYR CB C 13 40.58 0.10 . 1 . . . . 426 TYR CB . 16841 1 1013 . 1 1 122 122 TYR N N 15 126.74 0.10 . 1 . . . . 426 TYR N . 16841 1 1014 . 1 1 123 123 ASN H H 1 11.94 0.02 . 1 . . . . 427 ASN H . 16841 1 1015 . 1 1 123 123 ASN HA H 1 4.23 0.02 . 1 . . . . 427 ASN HA . 16841 1 1016 . 1 1 123 123 ASN HB2 H 1 2.09 0.02 . 1 . . . . 427 ASN HB2 . 16841 1 1017 . 1 1 123 123 ASN HB3 H 1 2.92 0.02 . 1 . . . . 427 ASN HB3 . 16841 1 1018 . 1 1 123 123 ASN CA C 13 53.24 0.10 . 1 . . . . 427 ASN CA . 16841 1 1019 . 1 1 123 123 ASN CB C 13 36.40 0.10 . 1 . . . . 427 ASN CB . 16841 1 1020 . 1 1 123 123 ASN N N 15 135.57 0.10 . 1 . . . . 427 ASN N . 16841 1 1021 . 1 1 124 124 ASN H H 1 9.27 0.02 . 1 . . . . 428 ASN H . 16841 1 1022 . 1 1 124 124 ASN HA H 1 4.14 0.02 . 1 . . . . 428 ASN HA . 16841 1 1023 . 1 1 124 124 ASN HB2 H 1 2.68 0.02 . 1 . . . . 428 ASN HB2 . 16841 1 1024 . 1 1 124 124 ASN HB3 H 1 3.13 0.02 . 1 . . . . 428 ASN HB3 . 16841 1 1025 . 1 1 124 124 ASN CA C 13 55.09 0.10 . 1 . . . . 428 ASN CA . 16841 1 1026 . 1 1 124 124 ASN CB C 13 38.87 0.10 . 1 . . . . 428 ASN CB . 16841 1 1027 . 1 1 124 124 ASN N N 15 110.29 0.10 . 1 . . . . 428 ASN N . 16841 1 1028 . 1 1 125 125 HIS H H 1 7.96 0.02 . 1 . . . . 429 HIS H . 16841 1 1029 . 1 1 125 125 HIS HA H 1 4.74 0.02 . 1 . . . . 429 HIS HA . 16841 1 1030 . 1 1 125 125 HIS HB2 H 1 3.00 0.02 . 1 . . . . 429 HIS HB2 . 16841 1 1031 . 1 1 125 125 HIS HB3 H 1 3.15 0.02 . 1 . . . . 429 HIS HB3 . 16841 1 1032 . 1 1 125 125 HIS CA C 13 55.00 0.10 . 1 . . . . 429 HIS CA . 16841 1 1033 . 1 1 125 125 HIS CB C 13 32.52 0.10 . 1 . . . . 429 HIS CB . 16841 1 1034 . 1 1 125 125 HIS N N 15 117.37 0.10 . 1 . . . . 429 HIS N . 16841 1 1035 . 1 1 126 126 ASN H H 1 8.33 0.02 . 1 . . . . 430 ASN H . 16841 1 1036 . 1 1 126 126 ASN HA H 1 5.19 0.02 . 1 . . . . 430 ASN HA . 16841 1 1037 . 1 1 126 126 ASN HB2 H 1 2.17 0.02 . 1 . . . . 430 ASN HB2 . 16841 1 1038 . 1 1 126 126 ASN HB3 H 1 2.52 0.02 . 1 . . . . 430 ASN HB3 . 16841 1 1039 . 1 1 126 126 ASN CA C 13 52.50 0.10 . 1 . . . . 430 ASN CA . 16841 1 1040 . 1 1 126 126 ASN CB C 13 40.87 0.10 . 1 . . . . 430 ASN CB . 16841 1 1041 . 1 1 126 126 ASN N N 15 122.21 0.10 . 1 . . . . 430 ASN N . 16841 1 1042 . 1 1 127 127 TYR H H 1 9.19 0.02 . 1 . . . . 431 TYR H . 16841 1 1043 . 1 1 127 127 TYR HA H 1 4.32 0.02 . 1 . . . . 431 TYR HA . 16841 1 1044 . 1 1 127 127 TYR HB2 H 1 1.49 0.02 . 1 . . . . 431 TYR HB2 . 16841 1 1045 . 1 1 127 127 TYR HB3 H 1 2.55 0.02 . 1 . . . . 431 TYR HB3 . 16841 1 1046 . 1 1 127 127 TYR CA C 13 58.55 0.10 . 1 . . . . 431 TYR CA . 16841 1 1047 . 1 1 127 127 TYR CB C 13 40.60 0.10 . 1 . . . . 431 TYR CB . 16841 1 1048 . 1 1 127 127 TYR N N 15 125.04 0.10 . 1 . . . . 431 TYR N . 16841 1 1049 . 1 1 128 128 THR H H 1 8.50 0.02 . 1 . . . . 432 THR H . 16841 1 1050 . 1 1 128 128 THR HA H 1 4.45 0.02 . 1 . . . . 432 THR HA . 16841 1 1051 . 1 1 128 128 THR HB H 1 4.23 0.02 . 1 . . . . 432 THR HB . 16841 1 1052 . 1 1 128 128 THR HG21 H 1 1.00 0.02 . 1 . . . . 432 THR HG2 . 16841 1 1053 . 1 1 128 128 THR HG22 H 1 1.00 0.02 . 1 . . . . 432 THR HG2 . 16841 1 1054 . 1 1 128 128 THR HG23 H 1 1.00 0.02 . 1 . . . . 432 THR HG2 . 16841 1 1055 . 1 1 128 128 THR CA C 13 60.38 0.10 . 1 . . . . 432 THR CA . 16841 1 1056 . 1 1 128 128 THR CB C 13 68.33 0.10 . 1 . . . . 432 THR CB . 16841 1 1057 . 1 1 128 128 THR CG2 C 13 21.98 0.10 . 1 . . . . 432 THR CG2 . 16841 1 1058 . 1 1 128 128 THR N N 15 110.10 0.10 . 1 . . . . 432 THR N . 16841 1 1059 . 1 1 129 129 ASP H H 1 7.57 0.02 . 1 . . . . 433 ASP H . 16841 1 1060 . 1 1 129 129 ASP HA H 1 3.99 0.02 . 1 . . . . 433 ASP HA . 16841 1 1061 . 1 1 129 129 ASP HB2 H 1 2.40 0.02 . 1 . . . . 433 ASP HB2 . 16841 1 1062 . 1 1 129 129 ASP HB3 H 1 2.54 0.02 . 1 . . . . 433 ASP HB3 . 16841 1 1063 . 1 1 129 129 ASP CA C 13 51.70 0.10 . 1 . . . . 433 ASP CA . 16841 1 1064 . 1 1 129 129 ASP CB C 13 43.83 0.10 . 1 . . . . 433 ASP CB . 16841 1 1065 . 1 1 129 129 ASP N N 15 118.57 0.10 . 1 . . . . 433 ASP N . 16841 1 1066 . 1 1 130 130 CYS H H 1 9.03 0.02 . 1 . . . . 434 CYS H . 16841 1 1067 . 1 1 130 130 CYS HA H 1 4.68 0.02 . 1 . . . . 434 CYS HA . 16841 1 1068 . 1 1 130 130 CYS HB2 H 1 2.70 0.02 . 1 . . . . 434 CYS HB2 . 16841 1 1069 . 1 1 130 130 CYS HB3 H 1 3.54 0.02 . 1 . . . . 434 CYS HB3 . 16841 1 1070 . 1 1 130 130 CYS CA C 13 59.84 0.10 . 1 . . . . 434 CYS CA . 16841 1 1071 . 1 1 130 130 CYS CB C 13 48.77 0.10 . 1 . . . . 434 CYS CB . 16841 1 1072 . 1 1 130 130 CYS N N 15 116.61 0.10 . 1 . . . . 434 CYS N . 16841 1 1073 . 1 1 131 131 THR H H 1 8.90 0.02 . 1 . . . . 435 THR H . 16841 1 1074 . 1 1 131 131 THR HA H 1 4.86 0.02 . 1 . . . . 435 THR HA . 16841 1 1075 . 1 1 131 131 THR HG21 H 1 1.95 0.02 . 1 . . . . 435 THR HG2 . 16841 1 1076 . 1 1 131 131 THR HG22 H 1 1.95 0.02 . 1 . . . . 435 THR HG2 . 16841 1 1077 . 1 1 131 131 THR HG23 H 1 1.95 0.02 . 1 . . . . 435 THR HG2 . 16841 1 1078 . 1 1 131 131 THR CA C 13 59.46 0.10 . 1 . . . . 435 THR CA . 16841 1 1079 . 1 1 131 131 THR CB C 13 70.47 0.10 . 1 . . . . 435 THR CB . 16841 1 1080 . 1 1 131 131 THR CG2 C 13 17.14 0.10 . 1 . . . . 435 THR CG2 . 16841 1 1081 . 1 1 131 131 THR N N 15 116.70 0.10 . 1 . . . . 435 THR N . 16841 1 1082 . 1 1 132 132 SER H H 1 8.64 0.02 . 1 . . . . 436 SER H . 16841 1 1083 . 1 1 132 132 SER HA H 1 5.25 0.02 . 1 . . . . 436 SER HA . 16841 1 1084 . 1 1 132 132 SER HB2 H 1 3.61 0.02 . 1 . . . . 436 SER HB2 . 16841 1 1085 . 1 1 132 132 SER HB3 H 1 4.11 0.02 . 1 . . . . 436 SER HB3 . 16841 1 1086 . 1 1 132 132 SER CA C 13 57.88 0.10 . 1 . . . . 436 SER CA . 16841 1 1087 . 1 1 132 132 SER CB C 13 64.70 0.10 . 1 . . . . 436 SER CB . 16841 1 1088 . 1 1 132 132 SER N N 15 119.48 0.10 . 1 . . . . 436 SER N . 16841 1 1089 . 1 1 133 133 GLU H H 1 8.69 0.02 . 1 . . . . 437 GLU H . 16841 1 1090 . 1 1 133 133 GLU HA H 1 4.24 0.02 . 1 . . . . 437 GLU HA . 16841 1 1091 . 1 1 133 133 GLU CA C 13 58.50 0.10 . 1 . . . . 437 GLU CA . 16841 1 1092 . 1 1 133 133 GLU CB C 13 30.36 0.10 . 1 . . . . 437 GLU CB . 16841 1 1093 . 1 1 133 133 GLU N N 15 125.02 0.10 . 1 . . . . 437 GLU N . 16841 1 1094 . 1 1 134 134 GLY H H 1 8.85 0.02 . 1 . . . . 438 GLY H . 16841 1 1095 . 1 1 134 134 GLY HA2 H 1 3.84 0.02 . 1 . . . . 438 GLY HA2 . 16841 1 1096 . 1 1 134 134 GLY HA3 H 1 4.41 0.02 . 1 . . . . 438 GLY HA3 . 16841 1 1097 . 1 1 134 134 GLY CA C 13 45.85 0.10 . 1 . . . . 438 GLY CA . 16841 1 1098 . 1 1 134 134 GLY N N 15 110.25 0.10 . 1 . . . . 438 GLY N . 16841 1 1099 . 1 1 135 135 ARG H H 1 7.79 0.02 . 1 . . . . 439 ARG H . 16841 1 1100 . 1 1 135 135 ARG HA H 1 4.58 0.02 . 1 . . . . 439 ARG HA . 16841 1 1101 . 1 1 135 135 ARG HB2 H 1 1.94 0.02 . 1 . . . . 439 ARG HB2 . 16841 1 1102 . 1 1 135 135 ARG HB3 H 1 2.08 0.02 . 1 . . . . 439 ARG HB3 . 16841 1 1103 . 1 1 135 135 ARG CA C 13 55.29 0.10 . 1 . . . . 439 ARG CA . 16841 1 1104 . 1 1 135 135 ARG CB C 13 32.50 0.10 . 1 . . . . 439 ARG CB . 16841 1 1105 . 1 1 135 135 ARG N N 15 117.17 0.10 . 1 . . . . 439 ARG N . 16841 1 1106 . 1 1 136 136 ARG HA H 1 4.52 0.02 . 1 . . . . 440 ARG HA . 16841 1 1107 . 1 1 136 136 ARG HB2 H 1 1.76 0.02 . 1 . . . . 440 ARG HB2 . 16841 1 1108 . 1 1 136 136 ARG HB3 H 1 1.99 0.02 . 1 . . . . 440 ARG HB3 . 16841 1 1109 . 1 1 136 136 ARG HG2 H 1 1.72 0.02 . 2 . . . . 440 ARG HG1 . 16841 1 1110 . 1 1 136 136 ARG HG3 H 1 1.72 0.02 . 2 . . . . 440 ARG HG2 . 16841 1 1111 . 1 1 136 136 ARG CA C 13 56.27 0.10 . 1 . . . . 440 ARG CA . 16841 1 1112 . 1 1 136 136 ARG CB C 13 30.31 0.10 . 1 . . . . 440 ARG CB . 16841 1 1113 . 1 1 136 136 ARG CD C 13 43.37 0.10 . 1 . . . . 440 ARG CD . 16841 1 1114 . 1 1 136 136 ARG CG C 13 27.30 0.10 . 1 . . . . 440 ARG CG . 16841 1 1115 . 1 1 137 137 ASP H H 1 7.68 0.02 . 1 . . . . 441 ASP H . 16841 1 1116 . 1 1 137 137 ASP HA H 1 4.57 0.02 . 1 . . . . 441 ASP HA . 16841 1 1117 . 1 1 137 137 ASP HB2 H 1 2.57 0.02 . 1 . . . . 441 ASP HB2 . 16841 1 1118 . 1 1 137 137 ASP HB3 H 1 3.09 0.02 . 1 . . . . 441 ASP HB3 . 16841 1 1119 . 1 1 137 137 ASP CA C 13 53.13 0.10 . 1 . . . . 441 ASP CA . 16841 1 1120 . 1 1 137 137 ASP CB C 13 41.50 0.10 . 1 . . . . 441 ASP CB . 16841 1 1121 . 1 1 137 137 ASP N N 15 116.63 0.10 . 1 . . . . 441 ASP N . 16841 1 1122 . 1 1 138 138 ASN H H 1 8.18 0.02 . 1 . . . . 442 ASN H . 16841 1 1123 . 1 1 138 138 ASN CA C 13 54.35 0.10 . 1 . . . . 442 ASN CA . 16841 1 1124 . 1 1 138 138 ASN CB C 13 38.43 0.10 . 1 . . . . 442 ASN CB . 16841 1 1125 . 1 1 138 138 ASN N N 15 112.64 0.10 . 1 . . . . 442 ASN N . 16841 1 1126 . 1 1 139 139 MET HA H 1 4.06 0.02 . 1 . . . . 443 MET HA . 16841 1 1127 . 1 1 139 139 MET HB2 H 1 2.07 0.02 . 2 . . . . 443 MET HB1 . 16841 1 1128 . 1 1 139 139 MET HB3 H 1 2.07 0.02 . 2 . . . . 443 MET HB2 . 16841 1 1129 . 1 1 139 139 MET HG2 H 1 2.37 0.02 . 2 . . . . 443 MET HG1 . 16841 1 1130 . 1 1 139 139 MET HG3 H 1 2.37 0.02 . 2 . . . . 443 MET HG2 . 16841 1 1131 . 1 1 139 139 MET CA C 13 56.04 0.10 . 1 . . . . 443 MET CA . 16841 1 1132 . 1 1 139 139 MET CB C 13 33.36 0.10 . 1 . . . . 443 MET CB . 16841 1 1133 . 1 1 140 140 LYS H H 1 8.13 0.02 . 1 . . . . 444 LYS H . 16841 1 1134 . 1 1 140 140 LYS HA H 1 4.67 0.02 . 1 . . . . 444 LYS HA . 16841 1 1135 . 1 1 140 140 LYS HB2 H 1 1.44 0.02 . 1 . . . . 444 LYS HB2 . 16841 1 1136 . 1 1 140 140 LYS HB3 H 1 2.03 0.02 . 1 . . . . 444 LYS HB3 . 16841 1 1137 . 1 1 140 140 LYS CA C 13 55.71 0.10 . 1 . . . . 444 LYS CA . 16841 1 1138 . 1 1 140 140 LYS CB C 13 34.13 0.10 . 1 . . . . 444 LYS CB . 16841 1 1139 . 1 1 140 140 LYS CD C 13 29.52 0.10 . 1 . . . . 444 LYS CD . 16841 1 1140 . 1 1 140 140 LYS CE C 13 42.60 0.10 . 1 . . . . 444 LYS CE . 16841 1 1141 . 1 1 140 140 LYS CG C 13 25.64 0.10 . 1 . . . . 444 LYS CG . 16841 1 1142 . 1 1 140 140 LYS N N 15 119.76 0.10 . 1 . . . . 444 LYS N . 16841 1 1143 . 1 1 141 141 TRP H H 1 9.75 0.02 . 1 . . . . 445 TRP H . 16841 1 1144 . 1 1 141 141 TRP HA H 1 5.55 0.02 . 1 . . . . 445 TRP HA . 16841 1 1145 . 1 1 141 141 TRP HB2 H 1 2.83 0.02 . 1 . . . . 445 TRP HB2 . 16841 1 1146 . 1 1 141 141 TRP HB3 H 1 3.28 0.02 . 1 . . . . 445 TRP HB3 . 16841 1 1147 . 1 1 141 141 TRP CA C 13 55.56 0.10 . 1 . . . . 445 TRP CA . 16841 1 1148 . 1 1 141 141 TRP CB C 13 33.19 0.10 . 1 . . . . 445 TRP CB . 16841 1 1149 . 1 1 141 141 TRP N N 15 122.92 0.10 . 1 . . . . 445 TRP N . 16841 1 1150 . 1 1 142 142 CYS H H 1 8.80 0.02 . 1 . . . . 446 CYS H . 16841 1 1151 . 1 1 142 142 CYS HA H 1 4.18 0.02 . 1 . . . . 446 CYS HA . 16841 1 1152 . 1 1 142 142 CYS CA C 13 52.60 0.10 . 1 . . . . 446 CYS CA . 16841 1 1153 . 1 1 142 142 CYS CB C 13 42.70 0.10 . 1 . . . . 446 CYS CB . 16841 1 1154 . 1 1 142 142 CYS N N 15 110.74 0.10 . 1 . . . . 446 CYS N . 16841 1 1155 . 1 1 143 143 GLY CA C 13 44.92 0.10 . 1 . . . . 447 GLY CA . 16841 1 1156 . 1 1 144 144 THR H H 1 8.06 0.02 . 1 . . . . 448 THR H . 16841 1 1157 . 1 1 144 144 THR CA C 13 61.36 0.10 . 1 . . . . 448 THR CA . 16841 1 1158 . 1 1 144 144 THR CG2 C 13 22.40 0.10 . 1 . . . . 448 THR CG2 . 16841 1 1159 . 1 1 144 144 THR N N 15 110.47 0.10 . 1 . . . . 448 THR N . 16841 1 1160 . 1 1 145 145 THR H H 1 7.77 0.02 . 1 . . . . 449 THR H . 16841 1 1161 . 1 1 145 145 THR HA H 1 4.39 0.02 . 1 . . . . 449 THR HA . 16841 1 1162 . 1 1 145 145 THR HB H 1 4.22 0.02 . 1 . . . . 449 THR HB . 16841 1 1163 . 1 1 145 145 THR CA C 13 59.79 0.10 . 1 . . . . 449 THR CA . 16841 1 1164 . 1 1 145 145 THR CB C 13 70.88 0.10 . 1 . . . . 449 THR CB . 16841 1 1165 . 1 1 145 145 THR CG2 C 13 22.79 0.10 . 1 . . . . 449 THR CG2 . 16841 1 1166 . 1 1 145 145 THR N N 15 110.81 0.10 . 1 . . . . 449 THR N . 16841 1 1167 . 1 1 146 146 GLN H H 1 7.94 0.02 . 1 . . . . 450 GLN H . 16841 1 1168 . 1 1 146 146 GLN HA H 1 4.16 0.02 . 1 . . . . 450 GLN HA . 16841 1 1169 . 1 1 146 146 GLN HB2 H 1 1.76 0.02 . 1 . . . . 450 GLN HB2 . 16841 1 1170 . 1 1 146 146 GLN HB3 H 1 1.92 0.02 . 1 . . . . 450 GLN HB3 . 16841 1 1171 . 1 1 146 146 GLN HG2 H 1 2.34 0.02 . 2 . . . . 450 GLN HG1 . 16841 1 1172 . 1 1 146 146 GLN HG3 H 1 2.34 0.02 . 2 . . . . 450 GLN HG2 . 16841 1 1173 . 1 1 146 146 GLN CA C 13 58.30 0.10 . 1 . . . . 450 GLN CA . 16841 1 1174 . 1 1 146 146 GLN CB C 13 28.92 0.10 . 1 . . . . 450 GLN CB . 16841 1 1175 . 1 1 146 146 GLN CG C 13 33.51 0.10 . 1 . . . . 450 GLN CG . 16841 1 1176 . 1 1 146 146 GLN N N 15 112.97 0.10 . 1 . . . . 450 GLN N . 16841 1 1177 . 1 1 147 147 ASN H H 1 8.07 0.02 . 1 . . . . 451 ASN H . 16841 1 1178 . 1 1 147 147 ASN HA H 1 5.24 0.02 . 1 . . . . 451 ASN HA . 16841 1 1179 . 1 1 147 147 ASN HB2 H 1 2.56 0.02 . 1 . . . . 451 ASN HB2 . 16841 1 1180 . 1 1 147 147 ASN HB3 H 1 3.28 0.02 . 1 . . . . 451 ASN HB3 . 16841 1 1181 . 1 1 147 147 ASN CA C 13 51.85 0.10 . 1 . . . . 451 ASN CA . 16841 1 1182 . 1 1 147 147 ASN CB C 13 38.60 0.10 . 1 . . . . 451 ASN CB . 16841 1 1183 . 1 1 147 147 ASN N N 15 117.91 0.10 . 1 . . . . 451 ASN N . 16841 1 1184 . 1 1 148 148 TYR H H 1 8.52 0.02 . 1 . . . . 452 TYR H . 16841 1 1185 . 1 1 148 148 TYR HA H 1 5.32 0.02 . 1 . . . . 452 TYR HA . 16841 1 1186 . 1 1 148 148 TYR HB2 H 1 3.29 0.02 . 1 . . . . 452 TYR HB2 . 16841 1 1187 . 1 1 148 148 TYR HB3 H 1 3.86 0.02 . 1 . . . . 452 TYR HB3 . 16841 1 1188 . 1 1 148 148 TYR CA C 13 60.79 0.10 . 1 . . . . 452 TYR CA . 16841 1 1189 . 1 1 148 148 TYR CB C 13 38.54 0.10 . 1 . . . . 452 TYR CB . 16841 1 1190 . 1 1 148 148 TYR N N 15 126.65 0.10 . 1 . . . . 452 TYR N . 16841 1 1191 . 1 1 149 149 ASP H H 1 8.00 0.02 . 1 . . . . 453 ASP H . 16841 1 1192 . 1 1 149 149 ASP HA H 1 4.35 0.02 . 1 . . . . 453 ASP HA . 16841 1 1193 . 1 1 149 149 ASP HB2 H 1 2.69 0.02 . 1 . . . . 453 ASP HB2 . 16841 1 1194 . 1 1 149 149 ASP HB3 H 1 3.05 0.02 . 1 . . . . 453 ASP HB3 . 16841 1 1195 . 1 1 149 149 ASP CA C 13 58.33 0.10 . 1 . . . . 453 ASP CA . 16841 1 1196 . 1 1 149 149 ASP CB C 13 40.01 0.10 . 1 . . . . 453 ASP CB . 16841 1 1197 . 1 1 149 149 ASP N N 15 122.30 0.10 . 1 . . . . 453 ASP N . 16841 1 1198 . 1 1 150 150 ALA H H 1 7.41 0.02 . 1 . . . . 454 ALA H . 16841 1 1199 . 1 1 150 150 ALA HA H 1 4.28 0.02 . 1 . . . . 454 ALA HA . 16841 1 1200 . 1 1 150 150 ALA HB1 H 1 1.30 0.02 . 1 . . . . 454 ALA HB . 16841 1 1201 . 1 1 150 150 ALA HB2 H 1 1.30 0.02 . 1 . . . . 454 ALA HB . 16841 1 1202 . 1 1 150 150 ALA HB3 H 1 1.30 0.02 . 1 . . . . 454 ALA HB . 16841 1 1203 . 1 1 150 150 ALA CA C 13 53.47 0.10 . 1 . . . . 454 ALA CA . 16841 1 1204 . 1 1 150 150 ALA CB C 13 19.93 0.10 . 1 . . . . 454 ALA CB . 16841 1 1205 . 1 1 150 150 ALA N N 15 118.31 0.10 . 1 . . . . 454 ALA N . 16841 1 1206 . 1 1 151 151 ASP H H 1 8.28 0.02 . 1 . . . . 455 ASP H . 16841 1 1207 . 1 1 151 151 ASP HA H 1 4.46 0.02 . 1 . . . . 455 ASP HA . 16841 1 1208 . 1 1 151 151 ASP HB2 H 1 2.55 0.02 . 1 . . . . 455 ASP HB2 . 16841 1 1209 . 1 1 151 151 ASP HB3 H 1 2.85 0.02 . 1 . . . . 455 ASP HB3 . 16841 1 1210 . 1 1 151 151 ASP CA C 13 56.30 0.10 . 1 . . . . 455 ASP CA . 16841 1 1211 . 1 1 151 151 ASP CB C 13 40.71 0.10 . 1 . . . . 455 ASP CB . 16841 1 1212 . 1 1 151 151 ASP N N 15 116.80 0.10 . 1 . . . . 455 ASP N . 16841 1 1213 . 1 1 152 152 GLN H H 1 9.13 0.02 . 1 . . . . 456 GLN H . 16841 1 1214 . 1 1 152 152 GLN HA H 1 4.15 0.02 . 1 . . . . 456 GLN HA . 16841 1 1215 . 1 1 152 152 GLN HB2 H 1 2.10 0.02 . 1 . . . . 456 GLN HB2 . 16841 1 1216 . 1 1 152 152 GLN HB3 H 1 2.87 0.02 . 1 . . . . 456 GLN HB3 . 16841 1 1217 . 1 1 152 152 GLN HG2 H 1 3.12 0.02 . 2 . . . . 456 GLN HG1 . 16841 1 1218 . 1 1 152 152 GLN HG3 H 1 3.12 0.02 . 2 . . . . 456 GLN HG2 . 16841 1 1219 . 1 1 152 152 GLN CA C 13 56.38 0.10 . 1 . . . . 456 GLN CA . 16841 1 1220 . 1 1 152 152 GLN CB C 13 26.04 0.10 . 1 . . . . 456 GLN CB . 16841 1 1221 . 1 1 152 152 GLN CG C 13 34.13 0.10 . 1 . . . . 456 GLN CG . 16841 1 1222 . 1 1 152 152 GLN N N 15 114.30 0.10 . 1 . . . . 456 GLN N . 16841 1 1223 . 1 1 153 153 LYS H H 1 7.96 0.02 . 1 . . . . 457 LYS H . 16841 1 1224 . 1 1 153 153 LYS HA H 1 5.16 0.02 . 1 . . . . 457 LYS HA . 16841 1 1225 . 1 1 153 153 LYS CA C 13 53.27 0.10 . 1 . . . . 457 LYS CA . 16841 1 1226 . 1 1 153 153 LYS CB C 13 32.52 0.10 . 1 . . . . 457 LYS CB . 16841 1 1227 . 1 1 153 153 LYS CD C 13 28.36 0.10 . 1 . . . . 457 LYS CD . 16841 1 1228 . 1 1 153 153 LYS CE C 13 42.72 0.10 . 1 . . . . 457 LYS CE . 16841 1 1229 . 1 1 153 153 LYS CG C 13 23.45 0.10 . 1 . . . . 457 LYS CG . 16841 1 1230 . 1 1 153 153 LYS N N 15 117.35 0.10 . 1 . . . . 457 LYS N . 16841 1 1231 . 1 1 154 154 PHE H H 1 9.85 0.02 . 1 . . . . 458 PHE H . 16841 1 1232 . 1 1 154 154 PHE HA H 1 5.68 0.02 . 1 . . . . 458 PHE HA . 16841 1 1233 . 1 1 154 154 PHE HB2 H 1 3.05 0.02 . 2 . . . . 458 PHE HB1 . 16841 1 1234 . 1 1 154 154 PHE HB3 H 1 3.05 0.02 . 2 . . . . 458 PHE HB2 . 16841 1 1235 . 1 1 154 154 PHE CA C 13 55.90 0.10 . 1 . . . . 458 PHE CA . 16841 1 1236 . 1 1 154 154 PHE CB C 13 43.90 0.10 . 1 . . . . 458 PHE CB . 16841 1 1237 . 1 1 154 154 PHE N N 15 123.80 0.10 . 1 . . . . 458 PHE N . 16841 1 1238 . 1 1 155 155 GLY H H 1 8.28 0.02 . 1 . . . . 459 GLY H . 16841 1 1239 . 1 1 155 155 GLY HA2 H 1 3.43 0.02 . 1 . . . . 459 GLY HA2 . 16841 1 1240 . 1 1 155 155 GLY HA3 H 1 3.71 0.02 . 1 . . . . 459 GLY HA3 . 16841 1 1241 . 1 1 155 155 GLY CA C 13 44.09 0.10 . 1 . . . . 459 GLY CA . 16841 1 1242 . 1 1 155 155 GLY N N 15 106.34 0.10 . 1 . . . . 459 GLY N . 16841 1 1243 . 1 1 156 156 PHE H H 1 8.60 0.02 . 1 . . . . 460 PHE H . 16841 1 1244 . 1 1 156 156 PHE HA H 1 5.19 0.02 . 1 . . . . 460 PHE HA . 16841 1 1245 . 1 1 156 156 PHE HB2 H 1 3.12 0.02 . 1 . . . . 460 PHE HB2 . 16841 1 1246 . 1 1 156 156 PHE HB3 H 1 3.32 0.02 . 1 . . . . 460 PHE HB3 . 16841 1 1247 . 1 1 156 156 PHE CA C 13 59.24 0.10 . 1 . . . . 460 PHE CA . 16841 1 1248 . 1 1 156 156 PHE CB C 13 38.78 0.10 . 1 . . . . 460 PHE CB . 16841 1 1249 . 1 1 156 156 PHE N N 15 116.82 0.10 . 1 . . . . 460 PHE N . 16841 1 1250 . 1 1 157 157 CYS H H 1 8.76 0.02 . 1 . . . . 461 CYS H . 16841 1 1251 . 1 1 157 157 CYS CA C 13 54.90 0.10 . 1 . . . . 461 CYS CA . 16841 1 1252 . 1 1 157 157 CYS CB C 13 43.23 0.10 . 1 . . . . 461 CYS CB . 16841 1 1253 . 1 1 157 157 CYS N N 15 120.84 0.10 . 1 . . . . 461 CYS N . 16841 1 1254 . 1 1 158 158 PRO HA H 1 4.41 0.02 . 1 . . . . 462 PRO HA . 16841 1 1255 . 1 1 158 158 PRO HB2 H 1 1.97 0.02 . 1 . . . . 462 PRO HB2 . 16841 1 1256 . 1 1 158 158 PRO HB3 H 1 2.36 0.02 . 1 . . . . 462 PRO HB3 . 16841 1 1257 . 1 1 158 158 PRO CA C 13 63.81 0.10 . 1 . . . . 462 PRO CA . 16841 1 1258 . 1 1 158 158 PRO CB C 13 32.13 0.10 . 1 . . . . 462 PRO CB . 16841 1 1259 . 1 1 159 159 MET H H 1 8.39 0.02 . 1 . . . . 463 MET H . 16841 1 1260 . 1 1 159 159 MET HA H 1 4.57 0.02 . 1 . . . . 463 MET HA . 16841 1 1261 . 1 1 159 159 MET HB2 H 1 2.14 0.02 . 2 . . . . 463 MET HB1 . 16841 1 1262 . 1 1 159 159 MET HB3 H 1 2.14 0.02 . 2 . . . . 463 MET HB2 . 16841 1 1263 . 1 1 159 159 MET HG2 H 1 2.61 0.02 . 2 . . . . 463 MET HG1 . 16841 1 1264 . 1 1 159 159 MET HG3 H 1 2.61 0.02 . 2 . . . . 463 MET HG2 . 16841 1 1265 . 1 1 159 159 MET CA C 13 54.76 0.10 . 1 . . . . 463 MET CA . 16841 1 1266 . 1 1 159 159 MET CB C 13 34.73 0.10 . 1 . . . . 463 MET CB . 16841 1 1267 . 1 1 159 159 MET CG C 13 32.36 0.10 . 1 . . . . 463 MET CG . 16841 1 1268 . 1 1 159 159 MET N N 15 120.85 0.10 . 1 . . . . 463 MET N . 16841 1 1269 . 1 1 160 160 ALA H H 1 8.60 0.02 . 1 . . . . 464 ALA H . 16841 1 1270 . 1 1 160 160 ALA HA H 1 4.33 0.02 . 1 . . . . 464 ALA HA . 16841 1 1271 . 1 1 160 160 ALA HB1 H 1 1.34 0.02 . 1 . . . . 464 ALA HB . 16841 1 1272 . 1 1 160 160 ALA HB2 H 1 1.34 0.02 . 1 . . . . 464 ALA HB . 16841 1 1273 . 1 1 160 160 ALA HB3 H 1 1.34 0.02 . 1 . . . . 464 ALA HB . 16841 1 1274 . 1 1 160 160 ALA CA C 13 52.14 0.10 . 1 . . . . 464 ALA CA . 16841 1 1275 . 1 1 160 160 ALA CB C 13 19.78 0.10 . 1 . . . . 464 ALA CB . 16841 1 1276 . 1 1 160 160 ALA N N 15 124.28 0.10 . 1 . . . . 464 ALA N . 16841 1 1277 . 1 1 161 161 ALA H H 1 8.69 0.02 . 1 . . . . 465 ALA H . 16841 1 1278 . 1 1 161 161 ALA HA H 1 4.22 0.02 . 1 . . . . 465 ALA HA . 16841 1 1279 . 1 1 161 161 ALA HB1 H 1 1.47 0.02 . 1 . . . . 465 ALA HB . 16841 1 1280 . 1 1 161 161 ALA HB2 H 1 1.47 0.02 . 1 . . . . 465 ALA HB . 16841 1 1281 . 1 1 161 161 ALA HB3 H 1 1.47 0.02 . 1 . . . . 465 ALA HB . 16841 1 1282 . 1 1 161 161 ALA CA C 13 54.19 0.10 . 1 . . . . 465 ALA CA . 16841 1 1283 . 1 1 161 161 ALA CB C 13 19.02 0.10 . 1 . . . . 465 ALA CB . 16841 1 1284 . 1 1 161 161 ALA N N 15 123.39 0.10 . 1 . . . . 465 ALA N . 16841 1 1285 . 1 1 162 162 HIS H H 1 7.85 0.02 . 1 . . . . 466 HIS H . 16841 1 1286 . 1 1 162 162 HIS HA H 1 4.61 0.02 . 1 . . . . 466 HIS HA . 16841 1 1287 . 1 1 162 162 HIS HB2 H 1 3.06 0.02 . 1 . . . . 466 HIS HB2 . 16841 1 1288 . 1 1 162 162 HIS HB3 H 1 3.25 0.02 . 1 . . . . 466 HIS HB3 . 16841 1 1289 . 1 1 162 162 HIS CA C 13 56.81 0.10 . 1 . . . . 466 HIS CA . 16841 1 1290 . 1 1 162 162 HIS CB C 13 30.33 0.10 . 1 . . . . 466 HIS CB . 16841 1 1291 . 1 1 162 162 HIS N N 15 113.61 0.10 . 1 . . . . 466 HIS N . 16841 1 1292 . 1 1 163 163 GLU H H 1 7.76 0.02 . 1 . . . . 467 GLU H . 16841 1 1293 . 1 1 163 163 GLU HA H 1 4.29 0.02 . 1 . . . . 467 GLU HA . 16841 1 1294 . 1 1 163 163 GLU HB2 H 1 1.95 0.02 . 2 . . . . 467 GLU HB1 . 16841 1 1295 . 1 1 163 163 GLU HB3 H 1 1.95 0.02 . 2 . . . . 467 GLU HB2 . 16841 1 1296 . 1 1 163 163 GLU HG2 H 1 1.96 0.02 . 2 . . . . 467 GLU HG1 . 16841 1 1297 . 1 1 163 163 GLU HG3 H 1 1.96 0.02 . 2 . . . . 467 GLU HG2 . 16841 1 1298 . 1 1 163 163 GLU CA C 13 56.26 0.10 . 1 . . . . 467 GLU CA . 16841 1 1299 . 1 1 163 163 GLU CB C 13 30.62 0.10 . 1 . . . . 467 GLU CB . 16841 1 1300 . 1 1 163 163 GLU CG C 13 36.60 0.10 . 1 . . . . 467 GLU CG . 16841 1 1301 . 1 1 163 163 GLU N N 15 120.88 0.10 . 1 . . . . 467 GLU N . 16841 1 1302 . 1 1 164 164 GLU H H 1 7.74 0.02 . 1 . . . . 468 GLU H . 16841 1 1303 . 1 1 164 164 GLU HA H 1 4.27 0.02 . 1 . . . . 468 GLU HA . 16841 1 1304 . 1 1 164 164 GLU HB2 H 1 2.00 0.02 . 2 . . . . 468 GLU HB1 . 16841 1 1305 . 1 1 164 164 GLU HB3 H 1 2.00 0.02 . 2 . . . . 468 GLU HB2 . 16841 1 1306 . 1 1 164 164 GLU HG2 H 1 2.34 0.02 . 2 . . . . 468 GLU HG1 . 16841 1 1307 . 1 1 164 164 GLU HG3 H 1 2.34 0.02 . 2 . . . . 468 GLU HG2 . 16841 1 1308 . 1 1 164 164 GLU CA C 13 57.50 0.10 . 1 . . . . 468 GLU CA . 16841 1 1309 . 1 1 164 164 GLU CB C 13 30.95 0.10 . 1 . . . . 468 GLU CB . 16841 1 1310 . 1 1 164 164 GLU CG C 13 37.02 0.10 . 1 . . . . 468 GLU CG . 16841 1 1311 . 1 1 164 164 GLU N N 15 121.67 0.10 . 1 . . . . 468 GLU N . 16841 1 1312 . 1 1 165 165 ILE H H 1 7.69 0.02 . 1 . . . . 469 ILE H . 16841 1 1313 . 1 1 165 165 ILE HA H 1 4.97 0.02 . 1 . . . . 469 ILE HA . 16841 1 1314 . 1 1 165 165 ILE HB H 1 1.85 0.02 . 1 . . . . 469 ILE HB . 16841 1 1315 . 1 1 165 165 ILE CA C 13 58.76 0.10 . 1 . . . . 469 ILE CA . 16841 1 1316 . 1 1 165 165 ILE CB C 13 42.29 0.10 . 1 . . . . 469 ILE CB . 16841 1 1317 . 1 1 165 165 ILE CD1 C 13 13.24 0.10 . 1 . . . . 469 ILE CD1 . 16841 1 1318 . 1 1 165 165 ILE CG1 C 13 26.57 0.10 . 1 . . . . 469 ILE CG1 . 16841 1 1319 . 1 1 165 165 ILE CG2 C 13 18.62 0.10 . 1 . . . . 469 ILE CG2 . 16841 1 1320 . 1 1 165 165 ILE N N 15 119.04 0.10 . 1 . . . . 469 ILE N . 16841 1 1321 . 1 1 166 166 CYS H H 1 9.16 0.02 . 1 . . . . 470 CYS H . 16841 1 1322 . 1 1 166 166 CYS HA H 1 4.92 0.02 . 1 . . . . 470 CYS HA . 16841 1 1323 . 1 1 166 166 CYS HB2 H 1 2.52 0.02 . 1 . . . . 470 CYS HB2 . 16841 1 1324 . 1 1 166 166 CYS HB3 H 1 3.00 0.02 . 1 . . . . 470 CYS HB3 . 16841 1 1325 . 1 1 166 166 CYS CA C 13 56.46 0.10 . 1 . . . . 470 CYS CA . 16841 1 1326 . 1 1 166 166 CYS CB C 13 44.69 0.10 . 1 . . . . 470 CYS CB . 16841 1 1327 . 1 1 166 166 CYS N N 15 119.96 0.10 . 1 . . . . 470 CYS N . 16841 1 1328 . 1 1 167 167 THR H H 1 9.18 0.02 . 1 . . . . 471 THR H . 16841 1 1329 . 1 1 167 167 THR HA H 1 5.14 0.02 . 1 . . . . 471 THR HA . 16841 1 1330 . 1 1 167 167 THR HB H 1 3.95 0.02 . 1 . . . . 471 THR HB . 16841 1 1331 . 1 1 167 167 THR HG21 H 1 1.13 0.02 . 1 . . . . 471 THR HG2 . 16841 1 1332 . 1 1 167 167 THR HG22 H 1 1.13 0.02 . 1 . . . . 471 THR HG2 . 16841 1 1333 . 1 1 167 167 THR HG23 H 1 1.13 0.02 . 1 . . . . 471 THR HG2 . 16841 1 1334 . 1 1 167 167 THR CA C 13 61.13 0.10 . 1 . . . . 471 THR CA . 16841 1 1335 . 1 1 167 167 THR CB C 13 70.26 0.10 . 1 . . . . 471 THR CB . 16841 1 1336 . 1 1 167 167 THR CG2 C 13 21.24 0.10 . 1 . . . . 471 THR CG2 . 16841 1 1337 . 1 1 167 167 THR N N 15 118.87 0.10 . 1 . . . . 471 THR N . 16841 1 1338 . 1 1 168 168 THR H H 1 8.61 0.02 . 1 . . . . 472 THR H . 16841 1 1339 . 1 1 168 168 THR HA H 1 4.21 0.02 . 1 . . . . 472 THR HA . 16841 1 1340 . 1 1 168 168 THR HB H 1 4.29 0.02 . 1 . . . . 472 THR HB . 16841 1 1341 . 1 1 168 168 THR HG21 H 1 0.36 0.02 . 1 . . . . 472 THR HG2 . 16841 1 1342 . 1 1 168 168 THR HG22 H 1 0.36 0.02 . 1 . . . . 472 THR HG2 . 16841 1 1343 . 1 1 168 168 THR HG23 H 1 0.36 0.02 . 1 . . . . 472 THR HG2 . 16841 1 1344 . 1 1 168 168 THR CA C 13 60.84 0.10 . 1 . . . . 472 THR CA . 16841 1 1345 . 1 1 168 168 THR CB C 13 70.59 0.10 . 1 . . . . 472 THR CB . 16841 1 1346 . 1 1 168 168 THR CG2 C 13 21.48 0.10 . 1 . . . . 472 THR CG2 . 16841 1 1347 . 1 1 168 168 THR N N 15 115.49 0.10 . 1 . . . . 472 THR N . 16841 1 1348 . 1 1 170 170 GLU HA H 1 4.38 0.02 . 1 . . . . 474 GLU HA . 16841 1 1349 . 1 1 170 170 GLU HB2 H 1 1.84 0.02 . 1 . . . . 474 GLU HB2 . 16841 1 1350 . 1 1 170 170 GLU HB3 H 1 2.22 0.02 . 1 . . . . 474 GLU HB3 . 16841 1 1351 . 1 1 170 170 GLU HG2 H 1 2.25 0.02 . 2 . . . . 474 GLU HG1 . 16841 1 1352 . 1 1 170 170 GLU HG3 H 1 2.25 0.02 . 2 . . . . 474 GLU HG2 . 16841 1 1353 . 1 1 170 170 GLU CA C 13 56.81 0.10 . 1 . . . . 474 GLU CA . 16841 1 1354 . 1 1 170 170 GLU CB C 13 29.64 0.10 . 1 . . . . 474 GLU CB . 16841 1 1355 . 1 1 170 170 GLU CG C 13 37.08 0.10 . 1 . . . . 474 GLU CG . 16841 1 1356 . 1 1 171 171 GLY H H 1 7.87 0.02 . 1 . . . . 475 GLY H . 16841 1 1357 . 1 1 171 171 GLY HA2 H 1 3.47 0.02 . 1 . . . . 475 GLY HA2 . 16841 1 1358 . 1 1 171 171 GLY HA3 H 1 4.11 0.02 . 1 . . . . 475 GLY HA3 . 16841 1 1359 . 1 1 171 171 GLY CA C 13 45.48 0.10 . 1 . . . . 475 GLY CA . 16841 1 1360 . 1 1 171 171 GLY N N 15 107.62 0.10 . 1 . . . . 475 GLY N . 16841 1 1361 . 1 1 172 172 VAL H H 1 6.89 0.02 . 1 . . . . 476 VAL H . 16841 1 1362 . 1 1 172 172 VAL HA H 1 3.67 0.02 . 1 . . . . 476 VAL HA . 16841 1 1363 . 1 1 172 172 VAL HB H 1 1.58 0.02 . 1 . . . . 476 VAL HB . 16841 1 1364 . 1 1 172 172 VAL HG11 H 1 0.68 0.02 . 1 . . . . 476 VAL HG1 . 16841 1 1365 . 1 1 172 172 VAL HG12 H 1 0.68 0.02 . 1 . . . . 476 VAL HG1 . 16841 1 1366 . 1 1 172 172 VAL HG13 H 1 0.68 0.02 . 1 . . . . 476 VAL HG1 . 16841 1 1367 . 1 1 172 172 VAL HG21 H 1 0.36 0.02 . 1 . . . . 476 VAL HG2 . 16841 1 1368 . 1 1 172 172 VAL HG22 H 1 0.36 0.02 . 1 . . . . 476 VAL HG2 . 16841 1 1369 . 1 1 172 172 VAL HG23 H 1 0.36 0.02 . 1 . . . . 476 VAL HG2 . 16841 1 1370 . 1 1 172 172 VAL CA C 13 62.68 0.10 . 1 . . . . 476 VAL CA . 16841 1 1371 . 1 1 172 172 VAL CB C 13 31.56 0.10 . 1 . . . . 476 VAL CB . 16841 1 1372 . 1 1 172 172 VAL CG1 C 13 21.53 0.10 . 1 . . . . 476 VAL CG1 . 16841 1 1373 . 1 1 172 172 VAL CG2 C 13 21.53 0.10 . 1 . . . . 476 VAL CG2 . 16841 1 1374 . 1 1 172 172 VAL N N 15 121.13 0.10 . 1 . . . . 476 VAL N . 16841 1 1375 . 1 1 173 173 MET H H 1 7.88 0.02 . 1 . . . . 477 MET H . 16841 1 1376 . 1 1 173 173 MET HA H 1 4.91 0.02 . 1 . . . . 477 MET HA . 16841 1 1377 . 1 1 173 173 MET HB2 H 1 1.71 0.02 . 1 . . . . 477 MET HB2 . 16841 1 1378 . 1 1 173 173 MET HB3 H 1 1.78 0.02 . 1 . . . . 477 MET HB3 . 16841 1 1379 . 1 1 173 173 MET CA C 13 55.07 0.10 . 1 . . . . 477 MET CA . 16841 1 1380 . 1 1 173 173 MET CB C 13 34.91 0.10 . 1 . . . . 477 MET CB . 16841 1 1381 . 1 1 173 173 MET CG C 13 32.31 0.10 . 1 . . . . 477 MET CG . 16841 1 1382 . 1 1 173 173 MET N N 15 125.10 0.10 . 1 . . . . 477 MET N . 16841 1 1383 . 1 1 174 174 TYR H H 1 8.97 0.02 . 1 . . . . 478 TYR H . 16841 1 1384 . 1 1 174 174 TYR HA H 1 4.60 0.02 . 1 . . . . 478 TYR HA . 16841 1 1385 . 1 1 174 174 TYR HB2 H 1 2.08 0.02 . 1 . . . . 478 TYR HB2 . 16841 1 1386 . 1 1 174 174 TYR HB3 H 1 3.21 0.02 . 1 . . . . 478 TYR HB3 . 16841 1 1387 . 1 1 174 174 TYR CA C 13 57.53 0.10 . 1 . . . . 478 TYR CA . 16841 1 1388 . 1 1 174 174 TYR CB C 13 43.19 0.10 . 1 . . . . 478 TYR CB . 16841 1 1389 . 1 1 174 174 TYR N N 15 122.69 0.10 . 1 . . . . 478 TYR N . 16841 1 1390 . 1 1 175 175 ARG H H 1 9.10 0.02 . 1 . . . . 479 ARG H . 16841 1 1391 . 1 1 175 175 ARG HA H 1 4.52 0.02 . 1 . . . . 479 ARG HA . 16841 1 1392 . 1 1 175 175 ARG HB2 H 1 1.77 0.02 . 1 . . . . 479 ARG HB2 . 16841 1 1393 . 1 1 175 175 ARG HB3 H 1 1.98 0.02 . 1 . . . . 479 ARG HB3 . 16841 1 1394 . 1 1 175 175 ARG HG2 H 1 1.71 0.02 . 2 . . . . 479 ARG HG2 . 16841 1 1395 . 1 1 175 175 ARG HG3 H 1 1.71 0.02 . 2 . . . . 479 ARG HG3 . 16841 1 1396 . 1 1 175 175 ARG HD2 H 1 3.22 0.02 . 2 . . . . 479 ARG HD2 . 16841 1 1397 . 1 1 175 175 ARG HD3 H 1 3.22 0.02 . 2 . . . . 479 ARG HD3 . 16841 1 1398 . 1 1 175 175 ARG CA C 13 54.59 0.10 . 1 . . . . 479 ARG CA . 16841 1 1399 . 1 1 175 175 ARG CB C 13 32.01 0.10 . 1 . . . . 479 ARG CB . 16841 1 1400 . 1 1 175 175 ARG CG C 13 28.04 0.10 . 1 . . . . 479 ARG CG . 16841 1 1401 . 1 1 175 175 ARG N N 15 120.18 0.10 . 1 . . . . 479 ARG N . 16841 1 1402 . 1 1 176 176 ILE H H 1 8.16 0.02 . 1 . . . . 480 ILE H . 16841 1 1403 . 1 1 176 176 ILE HA H 1 3.56 0.02 . 1 . . . . 480 ILE HA . 16841 1 1404 . 1 1 176 176 ILE HB H 1 1.76 0.02 . 1 . . . . 480 ILE HB . 16841 1 1405 . 1 1 176 176 ILE HG21 H 1 0.95 0.02 . 1 . . . . 480 ILE HG2 . 16841 1 1406 . 1 1 176 176 ILE HG22 H 1 0.95 0.02 . 1 . . . . 480 ILE HG2 . 16841 1 1407 . 1 1 176 176 ILE HG23 H 1 0.95 0.02 . 1 . . . . 480 ILE HG2 . 16841 1 1408 . 1 1 176 176 ILE HD11 H 1 0.95 0.02 . 1 . . . . 480 ILE HD . 16841 1 1409 . 1 1 176 176 ILE HD12 H 1 0.95 0.02 . 1 . . . . 480 ILE HD . 16841 1 1410 . 1 1 176 176 ILE HD13 H 1 0.95 0.02 . 1 . . . . 480 ILE HD . 16841 1 1411 . 1 1 176 176 ILE CA C 13 63.64 0.10 . 1 . . . . 480 ILE CA . 16841 1 1412 . 1 1 176 176 ILE CB C 13 37.10 0.10 . 1 . . . . 480 ILE CB . 16841 1 1413 . 1 1 176 176 ILE CD1 C 13 13.45 0.10 . 1 . . . . 480 ILE CD . 16841 1 1414 . 1 1 176 176 ILE CG1 C 13 28.22 0.10 . 1 . . . . 480 ILE CG1 . 16841 1 1415 . 1 1 176 176 ILE CG2 C 13 17.09 0.10 . 1 . . . . 480 ILE CG2 . 16841 1 1416 . 1 1 176 176 ILE N N 15 119.87 0.10 . 1 . . . . 480 ILE N . 16841 1 1417 . 1 1 177 177 GLY H H 1 9.13 0.02 . 1 . . . . 481 GLY H . 16841 1 1418 . 1 1 177 177 GLY HA2 H 1 3.54 0.02 . 1 . . . . 481 GLY HA2 . 16841 1 1419 . 1 1 177 177 GLY HA3 H 1 4.49 0.02 . 1 . . . . 481 GLY HA3 . 16841 1 1420 . 1 1 177 177 GLY CA C 13 44.83 0.10 . 1 . . . . 481 GLY CA . 16841 1 1421 . 1 1 177 177 GLY N N 15 116.22 0.10 . 1 . . . . 481 GLY N . 16841 1 1422 . 1 1 178 178 ASP H H 1 8.49 0.02 . 1 . . . . 482 ASP H . 16841 1 1423 . 1 1 178 178 ASP HA H 1 4.76 0.02 . 1 . . . . 482 ASP HA . 16841 1 1424 . 1 1 178 178 ASP HB2 H 1 2.98 0.02 . 1 . . . . 482 ASP HB2 . 16841 1 1425 . 1 1 178 178 ASP HB3 H 1 3.35 0.02 . 1 . . . . 482 ASP HB3 . 16841 1 1426 . 1 1 178 178 ASP CA C 13 55.53 0.10 . 1 . . . . 482 ASP CA . 16841 1 1427 . 1 1 178 178 ASP CB C 13 42.01 0.10 . 1 . . . . 482 ASP CB . 16841 1 1428 . 1 1 178 178 ASP N N 15 122.20 0.10 . 1 . . . . 482 ASP N . 16841 1 1429 . 1 1 179 179 GLN H H 1 8.27 0.02 . 1 . . . . 483 GLN H . 16841 1 1430 . 1 1 179 179 GLN HA H 1 5.60 0.02 . 1 . . . . 483 GLN HA . 16841 1 1431 . 1 1 179 179 GLN HB2 H 1 1.83 0.02 . 1 . . . . 483 GLN HB2 . 16841 1 1432 . 1 1 179 179 GLN HB3 H 1 1.89 0.02 . 1 . . . . 483 GLN HB3 . 16841 1 1433 . 1 1 179 179 GLN HG2 H 1 3.18 0.02 . 2 . . . . 483 GLN HG2 . 16841 1 1434 . 1 1 179 179 GLN HG3 H 1 3.18 0.02 . 2 . . . . 483 GLN HG3 . 16841 1 1435 . 1 1 179 179 GLN CA C 13 54.14 0.10 . 1 . . . . 483 GLN CA . 16841 1 1436 . 1 1 179 179 GLN CB C 13 33.20 0.10 . 1 . . . . 483 GLN CB . 16841 1 1437 . 1 1 179 179 GLN CG C 13 34.26 0.10 . 1 . . . . 483 GLN CG . 16841 1 1438 . 1 1 179 179 GLN N N 15 116.09 0.10 . 1 . . . . 483 GLN N . 16841 1 1439 . 1 1 180 180 TRP H H 1 8.57 0.02 . 1 . . . . 484 TRP H . 16841 1 1440 . 1 1 180 180 TRP HA H 1 4.82 0.02 . 1 . . . . 484 TRP HA . 16841 1 1441 . 1 1 180 180 TRP CA C 13 56.43 0.10 . 1 . . . . 484 TRP CA . 16841 1 1442 . 1 1 180 180 TRP CB C 13 31.78 0.10 . 1 . . . . 484 TRP CB . 16841 1 1443 . 1 1 180 180 TRP N N 15 121.40 0.10 . 1 . . . . 484 TRP N . 16841 1 1444 . 1 1 181 181 ASP H H 1 8.41 0.02 . 1 . . . . 485 ASP H . 16841 1 1445 . 1 1 181 181 ASP HA H 1 5.67 0.02 . 1 . . . . 485 ASP HA . 16841 1 1446 . 1 1 181 181 ASP HB2 H 1 2.63 0.02 . 2 . . . . 485 ASP HB1 . 16841 1 1447 . 1 1 181 181 ASP HB3 H 1 2.63 0.02 . 2 . . . . 485 ASP HB2 . 16841 1 1448 . 1 1 181 181 ASP CA C 13 53.00 0.10 . 1 . . . . 485 ASP CA . 16841 1 1449 . 1 1 181 181 ASP CB C 13 42.37 0.10 . 1 . . . . 485 ASP CB . 16841 1 1450 . 1 1 181 181 ASP N N 15 122.25 0.10 . 1 . . . . 485 ASP N . 16841 1 1451 . 1 1 182 182 LYS H H 1 8.68 0.02 . 1 . . . . 486 LYS H . 16841 1 1452 . 1 1 182 182 LYS HA H 1 4.47 0.02 . 1 . . . . 486 LYS HA . 16841 1 1453 . 1 1 182 182 LYS HD2 H 1 1.54 0.02 . 2 . . . . 486 LYS HD1 . 16841 1 1454 . 1 1 182 182 LYS HD3 H 1 1.54 0.02 . 2 . . . . 486 LYS HD2 . 16841 1 1455 . 1 1 182 182 LYS HG2 H 1 1.23 0.02 . 2 . . . . 486 LYS HG1 . 16841 1 1456 . 1 1 182 182 LYS HG3 H 1 1.23 0.02 . 2 . . . . 486 LYS HG2 . 16841 1 1457 . 1 1 182 182 LYS CB C 13 37.20 0.10 . 1 . . . . 486 LYS CB . 16841 1 1458 . 1 1 182 182 LYS N N 15 122.14 0.10 . 1 . . . . 486 LYS N . 16841 1 1459 . 1 1 183 183 GLN H H 1 8.81 0.02 . 1 . . . . 487 GLN H . 16841 1 1460 . 1 1 183 183 GLN HA H 1 4.67 0.02 . 1 . . . . 487 GLN HA . 16841 1 1461 . 1 1 183 183 GLN HB2 H 1 1.88 0.02 . 1 . . . . 487 GLN HB2 . 16841 1 1462 . 1 1 183 183 GLN HB3 H 1 2.03 0.02 . 1 . . . . 487 GLN HB3 . 16841 1 1463 . 1 1 183 183 GLN HG2 H 1 2.15 0.02 . 1 . . . . 487 GLN HG2 . 16841 1 1464 . 1 1 183 183 GLN HG3 H 1 2.42 0.02 . 1 . . . . 487 GLN HG3 . 16841 1 1465 . 1 1 183 183 GLN CA C 13 56.10 0.10 . 1 . . . . 487 GLN CA . 16841 1 1466 . 1 1 183 183 GLN CB C 13 29.96 0.10 . 1 . . . . 487 GLN CB . 16841 1 1467 . 1 1 183 183 GLN CG C 13 34.17 0.10 . 1 . . . . 487 GLN CG . 16841 1 1468 . 1 1 183 183 GLN N N 15 126.79 0.10 . 1 . . . . 487 GLN N . 16841 1 1469 . 1 1 184 184 HIS H H 1 9.06 0.02 . 1 . . . . 488 HIS H . 16841 1 1470 . 1 1 184 184 HIS HA H 1 4.27 0.02 . 1 . . . . 488 HIS HA . 16841 1 1471 . 1 1 184 184 HIS CA C 13 57.54 0.10 . 1 . . . . 488 HIS CA . 16841 1 1472 . 1 1 184 184 HIS CB C 13 31.60 0.10 . 1 . . . . 488 HIS CB . 16841 1 1473 . 1 1 184 184 HIS N N 15 128.45 0.10 . 1 . . . . 488 HIS N . 16841 1 1474 . 1 1 185 185 ASP H H 1 8.03 0.02 . 1 . . . . 489 ASP H . 16841 1 1475 . 1 1 185 185 ASP HA H 1 4.35 0.02 . 1 . . . . 489 ASP HA . 16841 1 1476 . 1 1 185 185 ASP HB2 H 1 2.57 0.02 . 1 . . . . 489 ASP HB2 . 16841 1 1477 . 1 1 185 185 ASP HB3 H 1 2.87 0.02 . 1 . . . . 489 ASP HB3 . 16841 1 1478 . 1 1 185 185 ASP N N 15 127.97 0.10 . 1 . . . . 489 ASP N . 16841 1 1479 . 1 1 186 186 MET HA H 1 4.46 0.02 . 1 . . . . 490 MET HA . 16841 1 1480 . 1 1 186 186 MET HB2 H 1 2.40 0.02 . 2 . . . . 490 MET HB2 . 16841 1 1481 . 1 1 186 186 MET HB3 H 1 2.40 0.02 . 2 . . . . 490 MET HB3 . 16841 1 1482 . 1 1 186 186 MET HG2 H 1 2.99 0.02 . 2 . . . . 490 MET HG1 . 16841 1 1483 . 1 1 186 186 MET HG3 H 1 2.99 0.02 . 2 . . . . 490 MET HG2 . 16841 1 1484 . 1 1 186 186 MET CA C 13 57.13 0.10 . 1 . . . . 490 MET CA . 16841 1 1485 . 1 1 186 186 MET CB C 13 32.41 0.10 . 1 . . . . 490 MET CB . 16841 1 1486 . 1 1 187 187 GLY H H 1 8.23 0.02 . 1 . . . . 491 GLY H . 16841 1 1487 . 1 1 187 187 GLY HA2 H 1 3.66 0.02 . 1 . . . . 491 GLY HA2 . 16841 1 1488 . 1 1 187 187 GLY HA3 H 1 4.49 0.02 . 1 . . . . 491 GLY HA3 . 16841 1 1489 . 1 1 187 187 GLY CA C 13 45.58 0.10 . 1 . . . . 491 GLY CA . 16841 1 1490 . 1 1 187 187 GLY N N 15 106.32 0.10 . 1 . . . . 491 GLY N . 16841 1 1491 . 1 1 188 188 HIS H H 1 7.46 0.02 . 1 . . . . 492 HIS H . 16841 1 1492 . 1 1 188 188 HIS HA H 1 4.84 0.02 . 1 . . . . 492 HIS HA . 16841 1 1493 . 1 1 188 188 HIS HB2 H 1 3.05 0.02 . 1 . . . . 492 HIS HB2 . 16841 1 1494 . 1 1 188 188 HIS HB3 H 1 3.24 0.02 . 1 . . . . 492 HIS HB3 . 16841 1 1495 . 1 1 188 188 HIS CA C 13 55.47 0.10 . 1 . . . . 492 HIS CA . 16841 1 1496 . 1 1 188 188 HIS CB C 13 31.34 0.10 . 1 . . . . 492 HIS CB . 16841 1 1497 . 1 1 188 188 HIS N N 15 117.31 0.10 . 1 . . . . 492 HIS N . 16841 1 1498 . 1 1 189 189 MET H H 1 8.67 0.02 . 1 . . . . 493 MET H . 16841 1 1499 . 1 1 189 189 MET HA H 1 5.00 0.02 . 1 . . . . 493 MET HA . 16841 1 1500 . 1 1 189 189 MET HB2 H 1 1.80 0.02 . 2 . . . . 493 MET HB1 . 16841 1 1501 . 1 1 189 189 MET HB3 H 1 1.80 0.02 . 2 . . . . 493 MET HB2 . 16841 1 1502 . 1 1 189 189 MET HG2 H 1 2.54 0.02 . 2 . . . . 493 MET HG1 . 16841 1 1503 . 1 1 189 189 MET HG3 H 1 2.54 0.02 . 2 . . . . 493 MET HG2 . 16841 1 1504 . 1 1 189 189 MET CA C 13 54.12 0.10 . 1 . . . . 493 MET CA . 16841 1 1505 . 1 1 189 189 MET CB C 13 32.39 0.10 . 1 . . . . 493 MET CB . 16841 1 1506 . 1 1 189 189 MET CG C 13 31.89 0.10 . 1 . . . . 493 MET CG . 16841 1 1507 . 1 1 189 189 MET N N 15 119.05 0.10 . 1 . . . . 493 MET N . 16841 1 1508 . 1 1 190 190 MET H H 1 8.95 0.02 . 1 . . . . 494 MET H . 16841 1 1509 . 1 1 190 190 MET HA H 1 5.18 0.02 . 1 . . . . 494 MET HA . 16841 1 1510 . 1 1 190 190 MET HB2 H 1 1.76 0.02 . 2 . . . . 494 MET HB1 . 16841 1 1511 . 1 1 190 190 MET HB3 H 1 1.76 0.02 . 2 . . . . 494 MET HB2 . 16841 1 1512 . 1 1 190 190 MET HG2 H 1 2.08 0.02 . 1 . . . . 494 MET HG2 . 16841 1 1513 . 1 1 190 190 MET HG3 H 1 2.55 0.02 . 1 . . . . 494 MET HG3 . 16841 1 1514 . 1 1 190 190 MET CA C 13 53.92 0.10 . 1 . . . . 494 MET CA . 16841 1 1515 . 1 1 190 190 MET CB C 13 36.53 0.10 . 1 . . . . 494 MET CB . 16841 1 1516 . 1 1 190 190 MET CG C 13 31.84 0.10 . 1 . . . . 494 MET CG . 16841 1 1517 . 1 1 190 190 MET N N 15 120.93 0.10 . 1 . . . . 494 MET N . 16841 1 1518 . 1 1 191 191 ARG H H 1 8.99 0.02 . 1 . . . . 495 ARG H . 16841 1 1519 . 1 1 191 191 ARG HA H 1 4.97 0.02 . 1 . . . . 495 ARG HA . 16841 1 1520 . 1 1 191 191 ARG HB2 H 1 1.32 0.02 . 1 . . . . 495 ARG HB2 . 16841 1 1521 . 1 1 191 191 ARG HB3 H 1 1.69 0.02 . 1 . . . . 495 ARG HB3 . 16841 1 1522 . 1 1 191 191 ARG HD2 H 1 3.00 0.02 . 2 . . . . 495 ARG HD1 . 16841 1 1523 . 1 1 191 191 ARG HD3 H 1 3.00 0.02 . 2 . . . . 495 ARG HD2 . 16841 1 1524 . 1 1 191 191 ARG HG2 H 1 1.35 0.02 . 1 . . . . 495 ARG HG2 . 16841 1 1525 . 1 1 191 191 ARG HG3 H 1 1.70 0.02 . 1 . . . . 495 ARG HG3 . 16841 1 1526 . 1 1 191 191 ARG CA C 13 54.27 0.10 . 1 . . . . 495 ARG CA . 16841 1 1527 . 1 1 191 191 ARG CB C 13 32.21 0.10 . 1 . . . . 495 ARG CB . 16841 1 1528 . 1 1 191 191 ARG CD C 13 43.38 0.10 . 1 . . . . 495 ARG CD . 16841 1 1529 . 1 1 191 191 ARG CG C 13 26.08 0.10 . 1 . . . . 495 ARG CG . 16841 1 1530 . 1 1 191 191 ARG N N 15 122.16 0.10 . 1 . . . . 495 ARG N . 16841 1 1531 . 1 1 192 192 CYS H H 1 9.53 0.02 . 1 . . . . 496 CYS H . 16841 1 1532 . 1 1 192 192 CYS HA H 1 5.48 0.02 . 1 . . . . 496 CYS HA . 16841 1 1533 . 1 1 192 192 CYS CA C 13 55.17 0.10 . 1 . . . . 496 CYS CA . 16841 1 1534 . 1 1 192 192 CYS CB C 13 46.47 0.10 . 1 . . . . 496 CYS CB . 16841 1 1535 . 1 1 192 192 CYS N N 15 129.94 0.10 . 1 . . . . 496 CYS N . 16841 1 1536 . 1 1 194 194 CYS HA H 1 4.99 0.02 . 1 . . . . 498 CYS HA . 16841 1 1537 . 1 1 194 194 CYS HB2 H 1 3.37 0.02 . 2 . . . . 498 CYS HB1 . 16841 1 1538 . 1 1 194 194 CYS HB3 H 1 3.37 0.02 . 2 . . . . 498 CYS HB2 . 16841 1 1539 . 1 1 194 194 CYS CA C 13 55.19 0.10 . 1 . . . . 498 CYS CA . 16841 1 1540 . 1 1 194 194 CYS CB C 13 37.17 0.10 . 1 . . . . 498 CYS CB . 16841 1 1541 . 1 1 195 195 VAL H H 1 8.76 0.02 . 1 . . . . 499 VAL H . 16841 1 1542 . 1 1 195 195 VAL HA H 1 4.39 0.02 . 1 . . . . 499 VAL HA . 16841 1 1543 . 1 1 195 195 VAL HB H 1 2.02 0.02 . 1 . . . . 499 VAL HB . 16841 1 1544 . 1 1 195 195 VAL HG11 H 1 0.91 0.02 . 1 . . . . 499 VAL HG1 . 16841 1 1545 . 1 1 195 195 VAL HG12 H 1 0.91 0.02 . 1 . . . . 499 VAL HG1 . 16841 1 1546 . 1 1 195 195 VAL HG13 H 1 0.91 0.02 . 1 . . . . 499 VAL HG1 . 16841 1 1547 . 1 1 195 195 VAL HG21 H 1 0.91 0.02 . 1 . . . . 499 VAL HG2 . 16841 1 1548 . 1 1 195 195 VAL HG22 H 1 0.91 0.02 . 1 . . . . 499 VAL HG2 . 16841 1 1549 . 1 1 195 195 VAL HG23 H 1 0.91 0.02 . 1 . . . . 499 VAL HG2 . 16841 1 1550 . 1 1 195 195 VAL CA C 13 63.28 0.10 . 1 . . . . 499 VAL CA . 16841 1 1551 . 1 1 195 195 VAL CB C 13 33.14 0.10 . 1 . . . . 499 VAL CB . 16841 1 1552 . 1 1 195 195 VAL CG1 C 13 21.80 0.10 . 1 . . . . 499 VAL CG1 . 16841 1 1553 . 1 1 195 195 VAL CG2 C 13 20.59 0.10 . 1 . . . . 499 VAL CG2 . 16841 1 1554 . 1 1 195 195 VAL N N 15 129.70 0.10 . 1 . . . . 499 VAL N . 16841 1 1555 . 1 1 196 196 GLY H H 1 9.09 0.02 . 1 . . . . 500 GLY H . 16841 1 1556 . 1 1 196 196 GLY HA2 H 1 3.22 0.02 . 1 . . . . 500 GLY HA2 . 16841 1 1557 . 1 1 196 196 GLY HA3 H 1 4.34 0.02 . 1 . . . . 500 GLY HA3 . 16841 1 1558 . 1 1 196 196 GLY CA C 13 47.94 0.10 . 1 . . . . 500 GLY CA . 16841 1 1559 . 1 1 196 196 GLY N N 15 108.16 0.10 . 1 . . . . 500 GLY N . 16841 1 1560 . 1 1 197 197 ASN H H 1 8.69 0.02 . 1 . . . . 501 ASN H . 16841 1 1561 . 1 1 197 197 ASN HA H 1 4.52 0.02 . 1 . . . . 501 ASN HA . 16841 1 1562 . 1 1 197 197 ASN HB2 H 1 2.93 0.02 . 1 . . . . 501 ASN HB2 . 16841 1 1563 . 1 1 197 197 ASN HB3 H 1 3.12 0.02 . 1 . . . . 501 ASN HB3 . 16841 1 1564 . 1 1 197 197 ASN CA C 13 54.61 0.10 . 1 . . . . 501 ASN CA . 16841 1 1565 . 1 1 197 197 ASN CB C 13 37.05 0.10 . 1 . . . . 501 ASN CB . 16841 1 1566 . 1 1 197 197 ASN N N 15 123.90 0.10 . 1 . . . . 501 ASN N . 16841 1 1567 . 1 1 198 198 GLY H H 1 9.86 0.02 . 1 . . . . 502 GLY H . 16841 1 1568 . 1 1 198 198 GLY HA2 H 1 3.71 0.02 . 1 . . . . 502 GLY HA2 . 16841 1 1569 . 1 1 198 198 GLY HA3 H 1 4.15 0.02 . 1 . . . . 502 GLY HA3 . 16841 1 1570 . 1 1 198 198 GLY CA C 13 46.01 0.10 . 1 . . . . 502 GLY CA . 16841 1 1571 . 1 1 198 198 GLY N N 15 108.83 0.10 . 1 . . . . 502 GLY N . 16841 1 1572 . 1 1 199 199 ARG H H 1 7.59 0.02 . 1 . . . . 503 ARG H . 16841 1 1573 . 1 1 199 199 ARG HA H 1 4.76 0.02 . 1 . . . . 503 ARG HA . 16841 1 1574 . 1 1 199 199 ARG HB2 H 1 1.89 0.02 . 2 . . . . 503 ARG HB1 . 16841 1 1575 . 1 1 199 199 ARG HB3 H 1 1.89 0.02 . 2 . . . . 503 ARG HB2 . 16841 1 1576 . 1 1 199 199 ARG HD2 H 1 3.19 0.02 . 2 . . . . 503 ARG HD1 . 16841 1 1577 . 1 1 199 199 ARG HD3 H 1 3.19 0.02 . 2 . . . . 503 ARG HD2 . 16841 1 1578 . 1 1 199 199 ARG HG2 H 1 1.55 0.02 . 2 . . . . 503 ARG HG1 . 16841 1 1579 . 1 1 199 199 ARG HG3 H 1 1.55 0.02 . 2 . . . . 503 ARG HG2 . 16841 1 1580 . 1 1 199 199 ARG CA C 13 54.71 0.10 . 1 . . . . 503 ARG CA . 16841 1 1581 . 1 1 199 199 ARG CB C 13 31.85 0.10 . 1 . . . . 503 ARG CB . 16841 1 1582 . 1 1 199 199 ARG CD C 13 43.82 0.10 . 1 . . . . 503 ARG CD . 16841 1 1583 . 1 1 199 199 ARG CG C 13 26.68 0.10 . 1 . . . . 503 ARG CG . 16841 1 1584 . 1 1 199 199 ARG N N 15 116.62 0.10 . 1 . . . . 503 ARG N . 16841 1 1585 . 1 1 200 200 GLY H H 1 9.56 0.02 . 1 . . . . 504 GLY H . 16841 1 1586 . 1 1 200 200 GLY HA2 H 1 3.82 0.02 . 1 . . . . 504 GLY HA2 . 16841 1 1587 . 1 1 200 200 GLY HA3 H 1 4.13 0.02 . 1 . . . . 504 GLY HA3 . 16841 1 1588 . 1 1 200 200 GLY CA C 13 47.95 0.10 . 1 . . . . 504 GLY CA . 16841 1 1589 . 1 1 200 200 GLY N N 15 115.20 0.10 . 1 . . . . 504 GLY N . 16841 1 1590 . 1 1 201 201 GLU H H 1 8.93 0.02 . 1 . . . . 505 GLU H . 16841 1 1591 . 1 1 201 201 GLU HA H 1 3.90 0.02 . 1 . . . . 505 GLU HA . 16841 1 1592 . 1 1 201 201 GLU HB2 H 1 1.76 0.02 . 1 . . . . 505 GLU HB2 . 16841 1 1593 . 1 1 201 201 GLU HB3 H 1 1.92 0.02 . 1 . . . . 505 GLU HB3 . 16841 1 1594 . 1 1 201 201 GLU CA C 13 57.36 0.10 . 1 . . . . 505 GLU CA . 16841 1 1595 . 1 1 201 201 GLU CB C 13 31.40 0.10 . 1 . . . . 505 GLU CB . 16841 1 1596 . 1 1 201 201 GLU CG C 13 36.47 0.10 . 1 . . . . 505 GLU CG . 16841 1 1597 . 1 1 201 201 GLU N N 15 119.82 0.10 . 1 . . . . 505 GLU N . 16841 1 1598 . 1 1 202 202 TRP H H 1 8.36 0.02 . 1 . . . . 506 TRP H . 16841 1 1599 . 1 1 202 202 TRP CA C 13 54.74 0.10 . 1 . . . . 506 TRP CA . 16841 1 1600 . 1 1 202 202 TRP N N 15 122.95 0.10 . 1 . . . . 506 TRP N . 16841 1 1601 . 1 1 203 203 THR H H 1 8.62 0.02 . 1 . . . . 507 THR H . 16841 1 1602 . 1 1 203 203 THR HA H 1 5.60 0.02 . 1 . . . . 507 THR HA . 16841 1 1603 . 1 1 203 203 THR HB H 1 4.13 0.02 . 1 . . . . 507 THR HB . 16841 1 1604 . 1 1 203 203 THR HG21 H 1 1.19 0.02 . 1 . . . . 507 THR HG2 . 16841 1 1605 . 1 1 203 203 THR HG22 H 1 1.19 0.02 . 1 . . . . 507 THR HG2 . 16841 1 1606 . 1 1 203 203 THR HG23 H 1 1.19 0.02 . 1 . . . . 507 THR HG2 . 16841 1 1607 . 1 1 203 203 THR CA C 13 60.06 0.10 . 1 . . . . 507 THR CA . 16841 1 1608 . 1 1 203 203 THR CB C 13 71.17 0.10 . 1 . . . . 507 THR CB . 16841 1 1609 . 1 1 203 203 THR N N 15 113.74 0.10 . 1 . . . . 507 THR N . 16841 1 1610 . 1 1 204 204 CYS HA H 1 5.60 0.02 . 1 . . . . 508 CYS HA . 16841 1 1611 . 1 1 204 204 CYS HB2 H 1 2.70 0.02 . 1 . . . . 508 CYS HB2 . 16841 1 1612 . 1 1 204 204 CYS HB3 H 1 3.19 0.02 . 1 . . . . 508 CYS HB3 . 16841 1 1613 . 1 1 204 204 CYS CA C 13 55.55 0.10 . 1 . . . . 508 CYS CA . 16841 1 1614 . 1 1 204 204 CYS CB C 13 50.23 0.10 . 1 . . . . 508 CYS CB . 16841 1 1615 . 1 1 205 205 ILE H H 1 8.68 0.02 . 1 . . . . 509 ILE H . 16841 1 1616 . 1 1 205 205 ILE HA H 1 4.51 0.02 . 1 . . . . 509 ILE HA . 16841 1 1617 . 1 1 205 205 ILE HB H 1 1.75 0.02 . 1 . . . . 509 ILE HB . 16841 1 1618 . 1 1 205 205 ILE HG21 H 1 0.90 0.02 . 1 . . . . 509 ILE HG2 . 16841 1 1619 . 1 1 205 205 ILE HG22 H 1 0.90 0.02 . 1 . . . . 509 ILE HG2 . 16841 1 1620 . 1 1 205 205 ILE HG23 H 1 0.90 0.02 . 1 . . . . 509 ILE HG2 . 16841 1 1621 . 1 1 205 205 ILE HD11 H 1 0.90 0.02 . 1 . . . . 509 ILE HD . 16841 1 1622 . 1 1 205 205 ILE HD12 H 1 0.90 0.02 . 1 . . . . 509 ILE HD . 16841 1 1623 . 1 1 205 205 ILE HD13 H 1 0.90 0.02 . 1 . . . . 509 ILE HD . 16841 1 1624 . 1 1 205 205 ILE CA C 13 59.29 0.10 . 1 . . . . 509 ILE CA . 16841 1 1625 . 1 1 205 205 ILE CB C 13 42.02 0.10 . 1 . . . . 509 ILE CB . 16841 1 1626 . 1 1 205 205 ILE CD1 C 13 13.47 0.10 . 1 . . . . 509 ILE CD1 . 16841 1 1627 . 1 1 205 205 ILE CG1 C 13 27.32 0.10 . 1 . . . . 509 ILE CG1 . 16841 1 1628 . 1 1 205 205 ILE CG2 C 13 17.31 0.10 . 1 . . . . 509 ILE CG2 . 16841 1 1629 . 1 1 205 205 ILE N N 15 121.40 0.10 . 1 . . . . 509 ILE N . 16841 1 1630 . 1 1 206 206 ALA H H 1 8.64 0.02 . 1 . . . . 510 ALA H . 16841 1 1631 . 1 1 206 206 ALA HA H 1 4.72 0.02 . 1 . . . . 510 ALA HA . 16841 1 1632 . 1 1 206 206 ALA HB1 H 1 1.41 0.02 . 1 . . . . 510 ALA HB . 16841 1 1633 . 1 1 206 206 ALA HB2 H 1 1.41 0.02 . 1 . . . . 510 ALA HB . 16841 1 1634 . 1 1 206 206 ALA HB3 H 1 1.41 0.02 . 1 . . . . 510 ALA HB . 16841 1 1635 . 1 1 206 206 ALA CA C 13 52.95 0.10 . 1 . . . . 510 ALA CA . 16841 1 1636 . 1 1 206 206 ALA CB C 13 19.08 0.10 . 1 . . . . 510 ALA CB . 16841 1 1637 . 1 1 206 206 ALA N N 15 128.23 0.10 . 1 . . . . 510 ALA N . 16841 1 1638 . 1 1 207 207 TYR H H 1 8.55 0.02 . 1 . . . . 511 TYR H . 16841 1 1639 . 1 1 207 207 TYR HA H 1 4.33 0.02 . 1 . . . . 511 TYR HA . 16841 1 1640 . 1 1 207 207 TYR HB2 H 1 2.94 0.02 . 2 . . . . 511 TYR HB1 . 16841 1 1641 . 1 1 207 207 TYR HB3 H 1 2.94 0.02 . 2 . . . . 511 TYR HB2 . 16841 1 1642 . 1 1 207 207 TYR CA C 13 60.22 0.10 . 1 . . . . 511 TYR CA . 16841 1 1643 . 1 1 207 207 TYR CB C 13 39.29 0.10 . 1 . . . . 511 TYR CB . 16841 1 1644 . 1 1 207 207 TYR N N 15 122.29 0.10 . 1 . . . . 511 TYR N . 16841 1 1645 . 1 1 208 208 SER CA C 13 58.81 0.10 . 1 . . . . 512 SER CA . 16841 1 1646 . 1 1 208 208 SER CB C 13 63.55 0.10 . 1 . . . . 512 SER CB . 16841 1 1647 . 1 1 209 209 GLN H H 1 8.10 0.02 . 1 . . . . 513 GLN H . 16841 1 1648 . 1 1 209 209 GLN HA H 1 4.40 0.02 . 1 . . . . 513 GLN HA . 16841 1 1649 . 1 1 209 209 GLN HB2 H 1 1.98 0.02 . 1 . . . . 513 GLN HB2 . 16841 1 1650 . 1 1 209 209 GLN HB3 H 1 2.23 0.02 . 1 . . . . 513 GLN HB3 . 16841 1 1651 . 1 1 209 209 GLN HG2 H 1 2.32 0.02 . 2 . . . . 513 GLN HG1 . 16841 1 1652 . 1 1 209 209 GLN HG3 H 1 2.32 0.02 . 2 . . . . 513 GLN HG2 . 16841 1 1653 . 1 1 209 209 GLN CA C 13 55.68 0.10 . 1 . . . . 513 GLN CA . 16841 1 1654 . 1 1 209 209 GLN CB C 13 29.84 0.10 . 1 . . . . 513 GLN CB . 16841 1 1655 . 1 1 209 209 GLN CG C 13 34.29 0.10 . 1 . . . . 513 GLN CG . 16841 1 1656 . 1 1 209 209 GLN N N 15 121.76 0.10 . 1 . . . . 513 GLN N . 16841 1 1657 . 1 1 210 210 LEU H H 1 7.55 0.02 . 1 . . . . 514 LEU H . 16841 1 1658 . 1 1 210 210 LEU HA H 1 4.13 0.02 . 1 . . . . 514 LEU HA . 16841 1 1659 . 1 1 210 210 LEU HB2 H 1 1.58 0.02 . 2 . . . . 514 LEU HB1 . 16841 1 1660 . 1 1 210 210 LEU HB3 H 1 1.58 0.02 . 2 . . . . 514 LEU HB2 . 16841 1 1661 . 1 1 210 210 LEU HD11 H 1 0.74 0.02 . 2 . . . . 514 LEU HD1 . 16841 1 1662 . 1 1 210 210 LEU HD12 H 1 0.74 0.02 . 2 . . . . 514 LEU HD1 . 16841 1 1663 . 1 1 210 210 LEU HD13 H 1 0.74 0.02 . 2 . . . . 514 LEU HD1 . 16841 1 1664 . 1 1 210 210 LEU HD21 H 1 0.74 0.02 . 2 . . . . 514 LEU HD2 . 16841 1 1665 . 1 1 210 210 LEU HD22 H 1 0.74 0.02 . 2 . . . . 514 LEU HD2 . 16841 1 1666 . 1 1 210 210 LEU HD23 H 1 0.74 0.02 . 2 . . . . 514 LEU HD2 . 16841 1 1667 . 1 1 210 210 LEU CA C 13 56.92 0.10 . 1 . . . . 514 LEU CA . 16841 1 1668 . 1 1 210 210 LEU CB C 13 43.41 0.10 . 1 . . . . 514 LEU CB . 16841 1 1669 . 1 1 210 210 LEU N N 15 128.33 0.10 . 1 . . . . 514 LEU N . 16841 1 stop_ save_