data_17820 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17820 _Entry.Title ; Backbone resonance assignments for IsdH-N2N3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-07-29 _Entry.Accession_date 2011-07-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone 1H, 13C and 15N resonance assignments for Staphylococcus aurues hemoglobin receptor IsdH (domains NEAT 2 and NEAT 3)' _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 Thomas Spirig . . . 17820 2 Robert Clubb . T. . 17820 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17820 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 879 17820 '15N chemical shifts' 292 17820 '1H chemical shifts' 292 17820 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 . . 2013-03-27 2011-07-29 update BMRB 'update entry citation' 17820 1 . . 2011-12-12 2011-07-29 original author 'original release' 17820 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17820 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22101872 _Citation.Full_citation . _Citation.Title 'Backbone 1H, 13C and 15N resonance assignments of the 39 kDa staphylococcal hemoglobin receptor IsdH.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _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 169 _Citation.Page_last 172 _Citation.Year 2012 _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 Thomas Spirig . . . 17820 1 2 Robert Clubb . T. . 17820 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'heme acquisition' 17820 1 'hemoglobin receptor' 17820 1 'iron uptake' 17820 1 'NEAT domain' 17820 1 'NMR resonance assignments' 17820 1 'secondary structure' 17820 1 'Staphylococcus aureus' 17820 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17820 _Assembly.ID 1 _Assembly.Name 'IsdH-N2N3 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 IsdH-N2N3 1 $IsdH-N2N3 A . yes native yes no . . . 17820 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_IsdH-N2N3 _Entity.Sf_category entity _Entity.Sf_framecode IsdH-N2N3 _Entity.Entry_ID 17820 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IsdH-N2N3 _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 ; SADESLQDAIKNPAIIDKEH TADNWRPIDFQMKNDKGERQ FYHYASTVEPATVIFTKTGP IIELGLKTASTWKKFEVYEG DKKLPVELVSYDSDKDYAYI RFPVSNGTREVKIVSSIEYG ENIHEDYDYTLMVFAQPITN NPDDYVDEETYNLQKLLAPY HKAKTLERQVYELEKLQEKL PEKYKAEYKKKLDQTRVELA DQVKSAVTEFENVTPTNDQL TDLQEAHFVVFESEENSESV MDGFVEHPFYTATLNGQKYV VMKTKDDSYWKDLIVEGKRV TTVSKDPKNNSRTLIFPYIP DKAVYNAIVKVVVANIGAEG QYHVRIINQDINTKDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1 represents a non-native residue remaining after cleavage of a purification tag.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 336 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Fragment of the hemoglobin receptor IsdH consisting of NEAT domains N2 and N3. Full-length IsdH consists of three NEAT domains (N1-N3).' _Entity.Mutation 'Y642 was mutated to an alanine to abolish heme binding.' _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 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 4IJ2 . "Human Methemoglobin In Complex With The Second And Third Neat Domains Of Isdh From Staphylococcus Aureus" . . . . . 100.00 336 100.00 100.00 0.00e+00 . . . . 17820 1 2 no PDB 4XS0 . "Human Methemoglobin In Complex With The Second And Third Neat Domains Of Isdh(f365y/a369f/y642a) From Staphylococcus Aureus" . . . . . 100.00 336 99.40 99.70 0.00e+00 . . . . 17820 1 3 no EMBL CAI81279 . "iron-regulated surface protein [Staphylococcus aureus RF122]" . . . . . 99.70 617 97.91 98.51 0.00e+00 . . . . 17820 1 4 no EMBL COX93366 . "cell wall surface anchor family protein [Staphylococcus aureus]" . . . . . 61.01 440 99.51 99.51 1.08e-140 . . . . 17820 1 5 no EMBL CPE78318 . "cell wall surface anchor family protein [Staphylococcus aureus]" . . . . . 66.37 458 99.10 99.55 1.18e-154 . . . . 17820 1 6 no EMBL CPJ07879 . "cell wall surface anchor family protein [Staphylococcus aureus]" . . . . . 90.77 540 99.34 99.34 0.00e+00 . . . . 17820 1 7 no EMBL CPL95539 . "cell wall surface anchor family protein [Staphylococcus haemolyticus]" . . . . . 56.85 426 98.43 98.95 1.45e-127 . . . . 17820 1 8 no GB AIW27424 . "Cell surface receptor IsdH for hemoglobin-haptoglobin complexes [Staphylococcus aureus subsp. aureus]" . . . . . 90.77 535 97.05 98.69 0.00e+00 . . . . 17820 1 9 no GB EEV26426 . "cell wall anchor protein [Staphylococcus aureus A9781]" . . . . . 99.70 615 99.10 99.70 0.00e+00 . . . . 17820 1 10 no GB EFB57600 . "LOW QUALITY PROTEIN: haptoglobin-binding heme uptake protein HarA, partial [Staphylococcus aureus subsp. aureus WW2703/97]" . . . . . 99.70 611 97.01 98.81 0.00e+00 . . . . 17820 1 11 no GB EFB60931 . "LOW QUALITY PROTEIN: cell surface receptor IsdH for hemoglobin-haptoglobin complexes, partial [Staphylococcus aureus subsp. aur" . . . . . 99.70 611 97.01 98.81 0.00e+00 . . . . 17820 1 12 no GB EFC00882 . "LOW QUALITY PROTEIN: cell wall surface anchor family protein, partial [Staphylococcus aureus subsp. aureus C160]" . . . . . 99.70 611 97.01 98.81 0.00e+00 . . . . 17820 1 13 no REF WP_042745476 . "heme transporter HarA, partial [Staphylococcus aureus]" . . . . . 99.70 618 99.70 99.70 0.00e+00 . . . . 17820 1 14 no REF WP_052997956 . "heme transporter HarA, partial [Staphylococcus aureus]" . . . . . 81.55 509 99.27 99.64 0.00e+00 . . . . 17820 1 15 no REF WP_053014930 . "heme transporter HarA, partial [Staphylococcus aureus]" . . . . . 81.55 509 99.64 99.64 0.00e+00 . . . . 17820 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Binding of hemoglobin' 17820 1 'Extraction of heme from hemoglobin' 17820 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 1 325 SER . 17820 1 2 326 ALA . 17820 1 3 327 ASP . 17820 1 4 328 GLU . 17820 1 5 329 SER . 17820 1 6 330 LEU . 17820 1 7 331 GLN . 17820 1 8 332 ASP . 17820 1 9 333 ALA . 17820 1 10 334 ILE . 17820 1 11 335 LYS . 17820 1 12 336 ASN . 17820 1 13 337 PRO . 17820 1 14 338 ALA . 17820 1 15 339 ILE . 17820 1 16 340 ILE . 17820 1 17 341 ASP . 17820 1 18 342 LYS . 17820 1 19 343 GLU . 17820 1 20 344 HIS . 17820 1 21 345 THR . 17820 1 22 346 ALA . 17820 1 23 347 ASP . 17820 1 24 348 ASN . 17820 1 25 349 TRP . 17820 1 26 350 ARG . 17820 1 27 351 PRO . 17820 1 28 352 ILE . 17820 1 29 353 ASP . 17820 1 30 354 PHE . 17820 1 31 355 GLN . 17820 1 32 356 MET . 17820 1 33 357 LYS . 17820 1 34 358 ASN . 17820 1 35 359 ASP . 17820 1 36 360 LYS . 17820 1 37 361 GLY . 17820 1 38 362 GLU . 17820 1 39 363 ARG . 17820 1 40 364 GLN . 17820 1 41 365 PHE . 17820 1 42 366 TYR . 17820 1 43 367 HIS . 17820 1 44 368 TYR . 17820 1 45 369 ALA . 17820 1 46 370 SER . 17820 1 47 371 THR . 17820 1 48 372 VAL . 17820 1 49 373 GLU . 17820 1 50 374 PRO . 17820 1 51 375 ALA . 17820 1 52 376 THR . 17820 1 53 377 VAL . 17820 1 54 378 ILE . 17820 1 55 379 PHE . 17820 1 56 380 THR . 17820 1 57 381 LYS . 17820 1 58 382 THR . 17820 1 59 383 GLY . 17820 1 60 384 PRO . 17820 1 61 385 ILE . 17820 1 62 386 ILE . 17820 1 63 387 GLU . 17820 1 64 388 LEU . 17820 1 65 389 GLY . 17820 1 66 390 LEU . 17820 1 67 391 LYS . 17820 1 68 392 THR . 17820 1 69 393 ALA . 17820 1 70 394 SER . 17820 1 71 395 THR . 17820 1 72 396 TRP . 17820 1 73 397 LYS . 17820 1 74 398 LYS . 17820 1 75 399 PHE . 17820 1 76 400 GLU . 17820 1 77 401 VAL . 17820 1 78 402 TYR . 17820 1 79 403 GLU . 17820 1 80 404 GLY . 17820 1 81 405 ASP . 17820 1 82 406 LYS . 17820 1 83 407 LYS . 17820 1 84 408 LEU . 17820 1 85 409 PRO . 17820 1 86 410 VAL . 17820 1 87 411 GLU . 17820 1 88 412 LEU . 17820 1 89 413 VAL . 17820 1 90 414 SER . 17820 1 91 415 TYR . 17820 1 92 416 ASP . 17820 1 93 417 SER . 17820 1 94 418 ASP . 17820 1 95 419 LYS . 17820 1 96 420 ASP . 17820 1 97 421 TYR . 17820 1 98 422 ALA . 17820 1 99 423 TYR . 17820 1 100 424 ILE . 17820 1 101 425 ARG . 17820 1 102 426 PHE . 17820 1 103 427 PRO . 17820 1 104 428 VAL . 17820 1 105 429 SER . 17820 1 106 430 ASN . 17820 1 107 431 GLY . 17820 1 108 432 THR . 17820 1 109 433 ARG . 17820 1 110 434 GLU . 17820 1 111 435 VAL . 17820 1 112 436 LYS . 17820 1 113 437 ILE . 17820 1 114 438 VAL . 17820 1 115 439 SER . 17820 1 116 440 SER . 17820 1 117 441 ILE . 17820 1 118 442 GLU . 17820 1 119 443 TYR . 17820 1 120 444 GLY . 17820 1 121 445 GLU . 17820 1 122 446 ASN . 17820 1 123 447 ILE . 17820 1 124 448 HIS . 17820 1 125 449 GLU . 17820 1 126 450 ASP . 17820 1 127 451 TYR . 17820 1 128 452 ASP . 17820 1 129 453 TYR . 17820 1 130 454 THR . 17820 1 131 455 LEU . 17820 1 132 456 MET . 17820 1 133 457 VAL . 17820 1 134 458 PHE . 17820 1 135 459 ALA . 17820 1 136 460 GLN . 17820 1 137 461 PRO . 17820 1 138 462 ILE . 17820 1 139 463 THR . 17820 1 140 464 ASN . 17820 1 141 465 ASN . 17820 1 142 466 PRO . 17820 1 143 467 ASP . 17820 1 144 468 ASP . 17820 1 145 469 TYR . 17820 1 146 470 VAL . 17820 1 147 471 ASP . 17820 1 148 472 GLU . 17820 1 149 473 GLU . 17820 1 150 474 THR . 17820 1 151 475 TYR . 17820 1 152 476 ASN . 17820 1 153 477 LEU . 17820 1 154 478 GLN . 17820 1 155 479 LYS . 17820 1 156 480 LEU . 17820 1 157 481 LEU . 17820 1 158 482 ALA . 17820 1 159 483 PRO . 17820 1 160 484 TYR . 17820 1 161 485 HIS . 17820 1 162 486 LYS . 17820 1 163 487 ALA . 17820 1 164 488 LYS . 17820 1 165 489 THR . 17820 1 166 490 LEU . 17820 1 167 491 GLU . 17820 1 168 492 ARG . 17820 1 169 493 GLN . 17820 1 170 494 VAL . 17820 1 171 495 TYR . 17820 1 172 496 GLU . 17820 1 173 497 LEU . 17820 1 174 498 GLU . 17820 1 175 499 LYS . 17820 1 176 500 LEU . 17820 1 177 501 GLN . 17820 1 178 502 GLU . 17820 1 179 503 LYS . 17820 1 180 504 LEU . 17820 1 181 505 PRO . 17820 1 182 506 GLU . 17820 1 183 507 LYS . 17820 1 184 508 TYR . 17820 1 185 509 LYS . 17820 1 186 510 ALA . 17820 1 187 511 GLU . 17820 1 188 512 TYR . 17820 1 189 513 LYS . 17820 1 190 514 LYS . 17820 1 191 515 LYS . 17820 1 192 516 LEU . 17820 1 193 517 ASP . 17820 1 194 518 GLN . 17820 1 195 519 THR . 17820 1 196 520 ARG . 17820 1 197 521 VAL . 17820 1 198 522 GLU . 17820 1 199 523 LEU . 17820 1 200 524 ALA . 17820 1 201 525 ASP . 17820 1 202 526 GLN . 17820 1 203 527 VAL . 17820 1 204 528 LYS . 17820 1 205 529 SER . 17820 1 206 530 ALA . 17820 1 207 531 VAL . 17820 1 208 532 THR . 17820 1 209 533 GLU . 17820 1 210 534 PHE . 17820 1 211 535 GLU . 17820 1 212 536 ASN . 17820 1 213 537 VAL . 17820 1 214 538 THR . 17820 1 215 539 PRO . 17820 1 216 540 THR . 17820 1 217 541 ASN . 17820 1 218 542 ASP . 17820 1 219 543 GLN . 17820 1 220 544 LEU . 17820 1 221 545 THR . 17820 1 222 546 ASP . 17820 1 223 547 LEU . 17820 1 224 548 GLN . 17820 1 225 549 GLU . 17820 1 226 550 ALA . 17820 1 227 551 HIS . 17820 1 228 552 PHE . 17820 1 229 553 VAL . 17820 1 230 554 VAL . 17820 1 231 555 PHE . 17820 1 232 556 GLU . 17820 1 233 557 SER . 17820 1 234 558 GLU . 17820 1 235 559 GLU . 17820 1 236 560 ASN . 17820 1 237 561 SER . 17820 1 238 562 GLU . 17820 1 239 563 SER . 17820 1 240 564 VAL . 17820 1 241 565 MET . 17820 1 242 566 ASP . 17820 1 243 567 GLY . 17820 1 244 568 PHE . 17820 1 245 569 VAL . 17820 1 246 570 GLU . 17820 1 247 571 HIS . 17820 1 248 572 PRO . 17820 1 249 573 PHE . 17820 1 250 574 TYR . 17820 1 251 575 THR . 17820 1 252 576 ALA . 17820 1 253 577 THR . 17820 1 254 578 LEU . 17820 1 255 579 ASN . 17820 1 256 580 GLY . 17820 1 257 581 GLN . 17820 1 258 582 LYS . 17820 1 259 583 TYR . 17820 1 260 584 VAL . 17820 1 261 585 VAL . 17820 1 262 586 MET . 17820 1 263 587 LYS . 17820 1 264 588 THR . 17820 1 265 589 LYS . 17820 1 266 590 ASP . 17820 1 267 591 ASP . 17820 1 268 592 SER . 17820 1 269 593 TYR . 17820 1 270 594 TRP . 17820 1 271 595 LYS . 17820 1 272 596 ASP . 17820 1 273 597 LEU . 17820 1 274 598 ILE . 17820 1 275 599 VAL . 17820 1 276 600 GLU . 17820 1 277 601 GLY . 17820 1 278 602 LYS . 17820 1 279 603 ARG . 17820 1 280 604 VAL . 17820 1 281 605 THR . 17820 1 282 606 THR . 17820 1 283 607 VAL . 17820 1 284 608 SER . 17820 1 285 609 LYS . 17820 1 286 610 ASP . 17820 1 287 611 PRO . 17820 1 288 612 LYS . 17820 1 289 613 ASN . 17820 1 290 614 ASN . 17820 1 291 615 SER . 17820 1 292 616 ARG . 17820 1 293 617 THR . 17820 1 294 618 LEU . 17820 1 295 619 ILE . 17820 1 296 620 PHE . 17820 1 297 621 PRO . 17820 1 298 622 TYR . 17820 1 299 623 ILE . 17820 1 300 624 PRO . 17820 1 301 625 ASP . 17820 1 302 626 LYS . 17820 1 303 627 ALA . 17820 1 304 628 VAL . 17820 1 305 629 TYR . 17820 1 306 630 ASN . 17820 1 307 631 ALA . 17820 1 308 632 ILE . 17820 1 309 633 VAL . 17820 1 310 634 LYS . 17820 1 311 635 VAL . 17820 1 312 636 VAL . 17820 1 313 637 VAL . 17820 1 314 638 ALA . 17820 1 315 639 ASN . 17820 1 316 640 ILE . 17820 1 317 641 GLY . 17820 1 318 642 ALA . 17820 1 319 643 GLU . 17820 1 320 644 GLY . 17820 1 321 645 GLN . 17820 1 322 646 TYR . 17820 1 323 647 HIS . 17820 1 324 648 VAL . 17820 1 325 649 ARG . 17820 1 326 650 ILE . 17820 1 327 651 ILE . 17820 1 328 652 ASN . 17820 1 329 653 GLN . 17820 1 330 654 ASP . 17820 1 331 655 ILE . 17820 1 332 656 ASN . 17820 1 333 657 THR . 17820 1 334 658 LYS . 17820 1 335 659 ASP . 17820 1 336 660 ASP . 17820 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 . SER 1 1 17820 1 . ALA 2 2 17820 1 . ASP 3 3 17820 1 . GLU 4 4 17820 1 . SER 5 5 17820 1 . LEU 6 6 17820 1 . GLN 7 7 17820 1 . ASP 8 8 17820 1 . ALA 9 9 17820 1 . ILE 10 10 17820 1 . LYS 11 11 17820 1 . ASN 12 12 17820 1 . PRO 13 13 17820 1 . ALA 14 14 17820 1 . ILE 15 15 17820 1 . ILE 16 16 17820 1 . ASP 17 17 17820 1 . LYS 18 18 17820 1 . GLU 19 19 17820 1 . HIS 20 20 17820 1 . THR 21 21 17820 1 . ALA 22 22 17820 1 . ASP 23 23 17820 1 . ASN 24 24 17820 1 . TRP 25 25 17820 1 . ARG 26 26 17820 1 . PRO 27 27 17820 1 . ILE 28 28 17820 1 . ASP 29 29 17820 1 . PHE 30 30 17820 1 . GLN 31 31 17820 1 . MET 32 32 17820 1 . LYS 33 33 17820 1 . ASN 34 34 17820 1 . ASP 35 35 17820 1 . LYS 36 36 17820 1 . GLY 37 37 17820 1 . GLU 38 38 17820 1 . ARG 39 39 17820 1 . GLN 40 40 17820 1 . PHE 41 41 17820 1 . TYR 42 42 17820 1 . HIS 43 43 17820 1 . TYR 44 44 17820 1 . ALA 45 45 17820 1 . SER 46 46 17820 1 . THR 47 47 17820 1 . VAL 48 48 17820 1 . GLU 49 49 17820 1 . PRO 50 50 17820 1 . ALA 51 51 17820 1 . THR 52 52 17820 1 . VAL 53 53 17820 1 . ILE 54 54 17820 1 . PHE 55 55 17820 1 . THR 56 56 17820 1 . LYS 57 57 17820 1 . THR 58 58 17820 1 . GLY 59 59 17820 1 . PRO 60 60 17820 1 . ILE 61 61 17820 1 . ILE 62 62 17820 1 . GLU 63 63 17820 1 . LEU 64 64 17820 1 . GLY 65 65 17820 1 . LEU 66 66 17820 1 . LYS 67 67 17820 1 . THR 68 68 17820 1 . ALA 69 69 17820 1 . SER 70 70 17820 1 . THR 71 71 17820 1 . TRP 72 72 17820 1 . LYS 73 73 17820 1 . LYS 74 74 17820 1 . PHE 75 75 17820 1 . GLU 76 76 17820 1 . VAL 77 77 17820 1 . TYR 78 78 17820 1 . GLU 79 79 17820 1 . GLY 80 80 17820 1 . ASP 81 81 17820 1 . LYS 82 82 17820 1 . LYS 83 83 17820 1 . LEU 84 84 17820 1 . PRO 85 85 17820 1 . VAL 86 86 17820 1 . GLU 87 87 17820 1 . LEU 88 88 17820 1 . VAL 89 89 17820 1 . SER 90 90 17820 1 . TYR 91 91 17820 1 . ASP 92 92 17820 1 . SER 93 93 17820 1 . ASP 94 94 17820 1 . LYS 95 95 17820 1 . ASP 96 96 17820 1 . TYR 97 97 17820 1 . ALA 98 98 17820 1 . TYR 99 99 17820 1 . ILE 100 100 17820 1 . ARG 101 101 17820 1 . PHE 102 102 17820 1 . PRO 103 103 17820 1 . VAL 104 104 17820 1 . SER 105 105 17820 1 . ASN 106 106 17820 1 . GLY 107 107 17820 1 . THR 108 108 17820 1 . ARG 109 109 17820 1 . GLU 110 110 17820 1 . VAL 111 111 17820 1 . LYS 112 112 17820 1 . ILE 113 113 17820 1 . VAL 114 114 17820 1 . SER 115 115 17820 1 . SER 116 116 17820 1 . ILE 117 117 17820 1 . GLU 118 118 17820 1 . TYR 119 119 17820 1 . GLY 120 120 17820 1 . GLU 121 121 17820 1 . ASN 122 122 17820 1 . ILE 123 123 17820 1 . HIS 124 124 17820 1 . GLU 125 125 17820 1 . ASP 126 126 17820 1 . TYR 127 127 17820 1 . ASP 128 128 17820 1 . TYR 129 129 17820 1 . THR 130 130 17820 1 . LEU 131 131 17820 1 . MET 132 132 17820 1 . VAL 133 133 17820 1 . PHE 134 134 17820 1 . ALA 135 135 17820 1 . GLN 136 136 17820 1 . PRO 137 137 17820 1 . ILE 138 138 17820 1 . THR 139 139 17820 1 . ASN 140 140 17820 1 . ASN 141 141 17820 1 . PRO 142 142 17820 1 . ASP 143 143 17820 1 . ASP 144 144 17820 1 . TYR 145 145 17820 1 . VAL 146 146 17820 1 . ASP 147 147 17820 1 . GLU 148 148 17820 1 . GLU 149 149 17820 1 . THR 150 150 17820 1 . TYR 151 151 17820 1 . ASN 152 152 17820 1 . LEU 153 153 17820 1 . GLN 154 154 17820 1 . LYS 155 155 17820 1 . LEU 156 156 17820 1 . LEU 157 157 17820 1 . ALA 158 158 17820 1 . PRO 159 159 17820 1 . TYR 160 160 17820 1 . HIS 161 161 17820 1 . LYS 162 162 17820 1 . ALA 163 163 17820 1 . LYS 164 164 17820 1 . THR 165 165 17820 1 . LEU 166 166 17820 1 . GLU 167 167 17820 1 . ARG 168 168 17820 1 . GLN 169 169 17820 1 . VAL 170 170 17820 1 . TYR 171 171 17820 1 . GLU 172 172 17820 1 . LEU 173 173 17820 1 . GLU 174 174 17820 1 . LYS 175 175 17820 1 . LEU 176 176 17820 1 . GLN 177 177 17820 1 . GLU 178 178 17820 1 . LYS 179 179 17820 1 . LEU 180 180 17820 1 . PRO 181 181 17820 1 . GLU 182 182 17820 1 . LYS 183 183 17820 1 . TYR 184 184 17820 1 . LYS 185 185 17820 1 . ALA 186 186 17820 1 . GLU 187 187 17820 1 . TYR 188 188 17820 1 . LYS 189 189 17820 1 . LYS 190 190 17820 1 . LYS 191 191 17820 1 . LEU 192 192 17820 1 . ASP 193 193 17820 1 . GLN 194 194 17820 1 . THR 195 195 17820 1 . ARG 196 196 17820 1 . VAL 197 197 17820 1 . GLU 198 198 17820 1 . LEU 199 199 17820 1 . ALA 200 200 17820 1 . ASP 201 201 17820 1 . GLN 202 202 17820 1 . VAL 203 203 17820 1 . LYS 204 204 17820 1 . SER 205 205 17820 1 . ALA 206 206 17820 1 . VAL 207 207 17820 1 . THR 208 208 17820 1 . GLU 209 209 17820 1 . PHE 210 210 17820 1 . GLU 211 211 17820 1 . ASN 212 212 17820 1 . VAL 213 213 17820 1 . THR 214 214 17820 1 . PRO 215 215 17820 1 . THR 216 216 17820 1 . ASN 217 217 17820 1 . ASP 218 218 17820 1 . GLN 219 219 17820 1 . LEU 220 220 17820 1 . THR 221 221 17820 1 . ASP 222 222 17820 1 . LEU 223 223 17820 1 . GLN 224 224 17820 1 . GLU 225 225 17820 1 . ALA 226 226 17820 1 . HIS 227 227 17820 1 . PHE 228 228 17820 1 . VAL 229 229 17820 1 . VAL 230 230 17820 1 . PHE 231 231 17820 1 . GLU 232 232 17820 1 . SER 233 233 17820 1 . GLU 234 234 17820 1 . GLU 235 235 17820 1 . ASN 236 236 17820 1 . SER 237 237 17820 1 . GLU 238 238 17820 1 . SER 239 239 17820 1 . VAL 240 240 17820 1 . MET 241 241 17820 1 . ASP 242 242 17820 1 . GLY 243 243 17820 1 . PHE 244 244 17820 1 . VAL 245 245 17820 1 . GLU 246 246 17820 1 . HIS 247 247 17820 1 . PRO 248 248 17820 1 . PHE 249 249 17820 1 . TYR 250 250 17820 1 . THR 251 251 17820 1 . ALA 252 252 17820 1 . THR 253 253 17820 1 . LEU 254 254 17820 1 . ASN 255 255 17820 1 . GLY 256 256 17820 1 . GLN 257 257 17820 1 . LYS 258 258 17820 1 . TYR 259 259 17820 1 . VAL 260 260 17820 1 . VAL 261 261 17820 1 . MET 262 262 17820 1 . LYS 263 263 17820 1 . THR 264 264 17820 1 . LYS 265 265 17820 1 . ASP 266 266 17820 1 . ASP 267 267 17820 1 . SER 268 268 17820 1 . TYR 269 269 17820 1 . TRP 270 270 17820 1 . LYS 271 271 17820 1 . ASP 272 272 17820 1 . LEU 273 273 17820 1 . ILE 274 274 17820 1 . VAL 275 275 17820 1 . GLU 276 276 17820 1 . GLY 277 277 17820 1 . LYS 278 278 17820 1 . ARG 279 279 17820 1 . VAL 280 280 17820 1 . THR 281 281 17820 1 . THR 282 282 17820 1 . VAL 283 283 17820 1 . SER 284 284 17820 1 . LYS 285 285 17820 1 . ASP 286 286 17820 1 . PRO 287 287 17820 1 . LYS 288 288 17820 1 . ASN 289 289 17820 1 . ASN 290 290 17820 1 . SER 291 291 17820 1 . ARG 292 292 17820 1 . THR 293 293 17820 1 . LEU 294 294 17820 1 . ILE 295 295 17820 1 . PHE 296 296 17820 1 . PRO 297 297 17820 1 . TYR 298 298 17820 1 . ILE 299 299 17820 1 . PRO 300 300 17820 1 . ASP 301 301 17820 1 . LYS 302 302 17820 1 . ALA 303 303 17820 1 . VAL 304 304 17820 1 . TYR 305 305 17820 1 . ASN 306 306 17820 1 . ALA 307 307 17820 1 . ILE 308 308 17820 1 . VAL 309 309 17820 1 . LYS 310 310 17820 1 . VAL 311 311 17820 1 . VAL 312 312 17820 1 . VAL 313 313 17820 1 . ALA 314 314 17820 1 . ASN 315 315 17820 1 . ILE 316 316 17820 1 . GLY 317 317 17820 1 . ALA 318 318 17820 1 . GLU 319 319 17820 1 . GLY 320 320 17820 1 . GLN 321 321 17820 1 . TYR 322 322 17820 1 . HIS 323 323 17820 1 . VAL 324 324 17820 1 . ARG 325 325 17820 1 . ILE 326 326 17820 1 . ILE 327 327 17820 1 . ASN 328 328 17820 1 . GLN 329 329 17820 1 . ASP 330 330 17820 1 . ILE 331 331 17820 1 . ASN 332 332 17820 1 . THR 333 333 17820 1 . LYS 334 334 17820 1 . ASP 335 335 17820 1 . ASP 336 336 17820 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17820 _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 $IsdH-N2N3 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . . . . . . . . . 17820 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 17820 _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 $IsdH-N2N3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . - . . . . . . 17820 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17820 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 IsdH-N2N3 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $IsdH-N2N3 . . 1.1 . . mM . . . . 17820 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17820 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17820 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 17820 1 5 D2O [U-2H] . . . . . . 7 . . % . . . . 17820 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17820 1 7 'Protease Inhibitor Cocktail' 'natural abundance' . . . . . . 0.01 . . % . . . . 17820 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17820 _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' 70 . mM 17820 1 pH 6.0 . pH 17820 1 pressure 1 . atm 17820 1 temperature 310 . K 17820 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17820 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17820 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17820 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17820 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17820 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17820 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17820 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Keller . . 17820 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17820 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 17820 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17820 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 17820 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17820 1 2 spectrometer_2 Bruker Avance . 600 . . . 17820 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 17820 _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 . . . . . . . . . . . . . . . . 17820 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17820 1 3 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17820 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17820 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17820 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17820 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 17820 _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 . . . . . . . . . 17820 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17820 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17820 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 17820 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17820 1 2 '3D HNCACB' . . . 17820 1 3 '3D HN(CO)CACB' . . . 17820 1 4 '3D HNCO' . . . 17820 1 5 '3D HN(CA)CO' . . . 17820 1 6 '3D 1H-15N NOESY' . . . 17820 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 7 7 GLN H H 1 7.884 0.020 . 1 . . . . 331 GLN H . 17820 1 2 . 1 1 7 7 GLN C C 13 176.541 0.3 . 1 . . . . 331 GLN C . 17820 1 3 . 1 1 7 7 GLN CA C 13 57.470 0.3 . 1 . . . . 331 GLN CA . 17820 1 4 . 1 1 7 7 GLN CB C 13 27.062 0.3 . 1 . . . . 331 GLN CB . 17820 1 5 . 1 1 7 7 GLN N N 15 113.010 0.3 . 1 . . . . 331 GLN N . 17820 1 6 . 1 1 8 8 ASP H H 1 7.186 0.020 . 1 . . . . 332 ASP H . 17820 1 7 . 1 1 8 8 ASP C C 13 178.346 0.3 . 1 . . . . 332 ASP C . 17820 1 8 . 1 1 8 8 ASP CA C 13 55.539 0.3 . 1 . . . . 332 ASP CA . 17820 1 9 . 1 1 8 8 ASP CB C 13 40.491 0.3 . 1 . . . . 332 ASP CB . 17820 1 10 . 1 1 8 8 ASP N N 15 118.095 0.3 . 1 . . . . 332 ASP N . 17820 1 11 . 1 1 9 9 ALA H H 1 7.977 0.020 . 1 . . . . 333 ALA H . 17820 1 12 . 1 1 9 9 ALA C C 13 180.209 0.3 . 1 . . . . 333 ALA C . 17820 1 13 . 1 1 9 9 ALA CA C 13 54.036 0.3 . 1 . . . . 333 ALA CA . 17820 1 14 . 1 1 9 9 ALA CB C 13 17.767 0.3 . 1 . . . . 333 ALA CB . 17820 1 15 . 1 1 9 9 ALA N N 15 126.344 0.3 . 1 . . . . 333 ALA N . 17820 1 16 . 1 1 10 10 ILE H H 1 7.457 0.020 . 1 . . . . 334 ILE H . 17820 1 17 . 1 1 10 10 ILE C C 13 173.832 0.3 . 1 . . . . 334 ILE C . 17820 1 18 . 1 1 10 10 ILE CA C 13 62.758 0.3 . 1 . . . . 334 ILE CA . 17820 1 19 . 1 1 10 10 ILE CB C 13 35.019 0.3 . 1 . . . . 334 ILE CB . 17820 1 20 . 1 1 10 10 ILE N N 15 110.214 0.3 . 1 . . . . 334 ILE N . 17820 1 21 . 1 1 11 11 LYS H H 1 6.714 0.020 . 1 . . . . 335 LYS H . 17820 1 22 . 1 1 11 11 LYS C C 13 176.608 0.3 . 1 . . . . 335 LYS C . 17820 1 23 . 1 1 11 11 LYS CA C 13 54.800 0.3 . 1 . . . . 335 LYS CA . 17820 1 24 . 1 1 11 11 LYS CB C 13 30.632 0.3 . 1 . . . . 335 LYS CB . 17820 1 25 . 1 1 11 11 LYS N N 15 116.511 0.3 . 1 . . . . 335 LYS N . 17820 1 26 . 1 1 12 12 ASN H H 1 6.920 0.020 . 1 . . . . 336 ASN H . 17820 1 27 . 1 1 12 12 ASN C C 13 174.271 0.3 . 1 . . . . 336 ASN C . 17820 1 28 . 1 1 12 12 ASN CA C 13 49.802 0.3 . 1 . . . . 336 ASN CA . 17820 1 29 . 1 1 12 12 ASN CB C 13 38.317 0.3 . 1 . . . . 336 ASN CB . 17820 1 30 . 1 1 12 12 ASN N N 15 120.431 0.3 . 1 . . . . 336 ASN N . 17820 1 31 . 1 1 13 13 PRO C C 13 177.950 0.3 . 1 . . . . 337 PRO C . 17820 1 32 . 1 1 13 13 PRO CA C 13 63.780 0.3 . 1 . . . . 337 PRO CA . 17820 1 33 . 1 1 13 13 PRO CB C 13 30.750 0.3 . 1 . . . . 337 PRO CB . 17820 1 34 . 1 1 14 14 ALA H H 1 7.675 0.020 . 1 . . . . 338 ALA H . 17820 1 35 . 1 1 14 14 ALA C C 13 179.047 0.3 . 1 . . . . 338 ALA C . 17820 1 36 . 1 1 14 14 ALA CA C 13 53.323 0.3 . 1 . . . . 338 ALA CA . 17820 1 37 . 1 1 14 14 ALA CB C 13 17.805 0.3 . 1 . . . . 338 ALA CB . 17820 1 38 . 1 1 14 14 ALA N N 15 117.624 0.3 . 1 . . . . 338 ALA N . 17820 1 39 . 1 1 15 15 ILE H H 1 7.466 0.020 . 1 . . . . 339 ILE H . 17820 1 40 . 1 1 15 15 ILE C C 13 176.804 0.3 . 1 . . . . 339 ILE C . 17820 1 41 . 1 1 15 15 ILE CA C 13 58.072 0.3 . 1 . . . . 339 ILE CA . 17820 1 42 . 1 1 15 15 ILE CB C 13 38.786 0.3 . 1 . . . . 339 ILE CB . 17820 1 43 . 1 1 15 15 ILE N N 15 108.427 0.3 . 1 . . . . 339 ILE N . 17820 1 44 . 1 1 16 16 ILE H H 1 6.970 0.020 . 1 . . . . 340 ILE H . 17820 1 45 . 1 1 16 16 ILE C C 13 176.104 0.3 . 1 . . . . 340 ILE C . 17820 1 46 . 1 1 16 16 ILE CA C 13 63.818 0.3 . 1 . . . . 340 ILE CA . 17820 1 47 . 1 1 16 16 ILE CB C 13 36.084 0.3 . 1 . . . . 340 ILE CB . 17820 1 48 . 1 1 16 16 ILE N N 15 124.131 0.3 . 1 . . . . 340 ILE N . 17820 1 49 . 1 1 17 17 ASP H H 1 10.230 0.020 . 1 . . . . 341 ASP H . 17820 1 50 . 1 1 17 17 ASP C C 13 174.863 0.3 . 1 . . . . 341 ASP C . 17820 1 51 . 1 1 17 17 ASP CA C 13 55.155 0.3 . 1 . . . . 341 ASP CA . 17820 1 52 . 1 1 17 17 ASP CB C 13 38.097 0.3 . 1 . . . . 341 ASP CB . 17820 1 53 . 1 1 17 17 ASP N N 15 127.230 0.3 . 1 . . . . 341 ASP N . 17820 1 54 . 1 1 18 18 LYS H H 1 6.841 0.020 . 1 . . . . 342 LYS H . 17820 1 55 . 1 1 18 18 LYS C C 13 177.808 0.3 . 1 . . . . 342 LYS C . 17820 1 56 . 1 1 18 18 LYS CA C 13 54.914 0.3 . 1 . . . . 342 LYS CA . 17820 1 57 . 1 1 18 18 LYS CB C 13 32.861 0.3 . 1 . . . . 342 LYS CB . 17820 1 58 . 1 1 18 18 LYS N N 15 119.288 0.3 . 1 . . . . 342 LYS N . 17820 1 59 . 1 1 19 19 GLU H H 1 8.874 0.020 . 1 . . . . 343 GLU H . 17820 1 60 . 1 1 19 19 GLU C C 13 175.888 0.3 . 1 . . . . 343 GLU C . 17820 1 61 . 1 1 19 19 GLU CA C 13 56.887 0.3 . 1 . . . . 343 GLU CA . 17820 1 62 . 1 1 19 19 GLU CB C 13 28.218 0.3 . 1 . . . . 343 GLU CB . 17820 1 63 . 1 1 19 19 GLU N N 15 128.645 0.3 . 1 . . . . 343 GLU N . 17820 1 64 . 1 1 20 20 HIS H H 1 8.750 0.020 . 1 . . . . 344 HIS H . 17820 1 65 . 1 1 20 20 HIS C C 13 173.068 0.3 . 1 . . . . 344 HIS C . 17820 1 66 . 1 1 20 20 HIS CA C 13 52.670 0.3 . 1 . . . . 344 HIS CA . 17820 1 67 . 1 1 20 20 HIS CB C 13 26.403 0.3 . 1 . . . . 344 HIS CB . 17820 1 68 . 1 1 20 20 HIS N N 15 120.136 0.3 . 1 . . . . 344 HIS N . 17820 1 69 . 1 1 21 21 THR H H 1 7.560 0.020 . 1 . . . . 345 THR H . 17820 1 70 . 1 1 21 21 THR C C 13 173.507 0.3 . 1 . . . . 345 THR C . 17820 1 71 . 1 1 21 21 THR CA C 13 61.013 0.3 . 1 . . . . 345 THR CA . 17820 1 72 . 1 1 21 21 THR CB C 13 68.765 0.3 . 1 . . . . 345 THR CB . 17820 1 73 . 1 1 21 21 THR N N 15 115.894 0.3 . 1 . . . . 345 THR N . 17820 1 74 . 1 1 22 22 ALA H H 1 8.212 0.020 . 1 . . . . 346 ALA H . 17820 1 75 . 1 1 22 22 ALA C C 13 176.272 0.3 . 1 . . . . 346 ALA C . 17820 1 76 . 1 1 22 22 ALA CA C 13 49.916 0.3 . 1 . . . . 346 ALA CA . 17820 1 77 . 1 1 22 22 ALA CB C 13 20.675 0.3 . 1 . . . . 346 ALA CB . 17820 1 78 . 1 1 22 22 ALA N N 15 127.486 0.3 . 1 . . . . 346 ALA N . 17820 1 79 . 1 1 23 23 ASP H H 1 8.263 0.020 . 1 . . . . 347 ASP H . 17820 1 80 . 1 1 23 23 ASP C C 13 176.382 0.3 . 1 . . . . 347 ASP C . 17820 1 81 . 1 1 23 23 ASP CA C 13 55.707 0.3 . 1 . . . . 347 ASP CA . 17820 1 82 . 1 1 23 23 ASP CB C 13 40.018 0.3 . 1 . . . . 347 ASP CB . 17820 1 83 . 1 1 23 23 ASP N N 15 119.544 0.3 . 1 . . . . 347 ASP N . 17820 1 84 . 1 1 24 24 ASN H H 1 7.818 0.020 . 1 . . . . 348 ASN H . 17820 1 85 . 1 1 24 24 ASN C C 13 172.707 0.3 . 1 . . . . 348 ASN C . 17820 1 86 . 1 1 24 24 ASN CA C 13 52.014 0.3 . 1 . . . . 348 ASN CA . 17820 1 87 . 1 1 24 24 ASN CB C 13 39.241 0.3 . 1 . . . . 348 ASN CB . 17820 1 88 . 1 1 24 24 ASN N N 15 117.333 0.3 . 1 . . . . 348 ASN N . 17820 1 89 . 1 1 25 25 TRP H H 1 8.041 0.020 . 1 . . . . 349 TRP H . 17820 1 90 . 1 1 25 25 TRP C C 13 175.754 0.3 . 1 . . . . 349 TRP C . 17820 1 91 . 1 1 25 25 TRP CA C 13 54.548 0.3 . 1 . . . . 349 TRP CA . 17820 1 92 . 1 1 25 25 TRP CB C 13 31.208 0.3 . 1 . . . . 349 TRP CB . 17820 1 93 . 1 1 25 25 TRP N N 15 122.256 0.3 . 1 . . . . 349 TRP N . 17820 1 94 . 1 1 26 26 ARG H H 1 9.079 0.020 . 1 . . . . 350 ARG H . 17820 1 95 . 1 1 26 26 ARG C C 13 172.489 0.3 . 1 . . . . 350 ARG C . 17820 1 96 . 1 1 26 26 ARG CA C 13 51.085 0.3 . 1 . . . . 350 ARG CA . 17820 1 97 . 1 1 26 26 ARG CB C 13 31.825 0.3 . 1 . . . . 350 ARG CB . 17820 1 98 . 1 1 26 26 ARG N N 15 121.423 0.3 . 1 . . . . 350 ARG N . 17820 1 99 . 1 1 27 27 PRO C C 13 175.470 0.3 . 1 . . . . 351 PRO C . 17820 1 100 . 1 1 27 27 PRO CA C 13 61.040 0.3 . 1 . . . . 351 PRO CA . 17820 1 101 . 1 1 27 27 PRO CB C 13 31.150 0.3 . 1 . . . . 351 PRO CB . 17820 1 102 . 1 1 28 28 ILE H H 1 8.388 0.020 . 1 . . . . 352 ILE H . 17820 1 103 . 1 1 28 28 ILE C C 13 172.668 0.3 . 1 . . . . 352 ILE C . 17820 1 104 . 1 1 28 28 ILE CA C 13 57.481 0.3 . 1 . . . . 352 ILE CA . 17820 1 105 . 1 1 28 28 ILE CB C 13 40.649 0.3 . 1 . . . . 352 ILE CB . 17820 1 106 . 1 1 28 28 ILE N N 15 116.548 0.3 . 1 . . . . 352 ILE N . 17820 1 107 . 1 1 29 29 ASP H H 1 8.450 0.020 . 1 . . . . 353 ASP H . 17820 1 108 . 1 1 29 29 ASP C C 13 175.439 0.3 . 1 . . . . 353 ASP C . 17820 1 109 . 1 1 29 29 ASP CA C 13 53.743 0.3 . 1 . . . . 353 ASP CA . 17820 1 110 . 1 1 29 29 ASP CB C 13 41.095 0.3 . 1 . . . . 353 ASP CB . 17820 1 111 . 1 1 29 29 ASP N N 15 127.821 0.3 . 1 . . . . 353 ASP N . 17820 1 112 . 1 1 30 30 PHE H H 1 8.057 0.020 . 1 . . . . 354 PHE H . 17820 1 113 . 1 1 30 30 PHE C C 13 173.501 0.3 . 1 . . . . 354 PHE C . 17820 1 114 . 1 1 30 30 PHE CA C 13 55.171 0.3 . 1 . . . . 354 PHE CA . 17820 1 115 . 1 1 30 30 PHE CB C 13 41.091 0.3 . 1 . . . . 354 PHE CB . 17820 1 116 . 1 1 30 30 PHE N N 15 113.540 0.3 . 1 . . . . 354 PHE N . 17820 1 117 . 1 1 31 31 GLN H H 1 8.652 0.020 . 1 . . . . 355 GLN H . 17820 1 118 . 1 1 31 31 GLN C C 13 174.704 0.3 . 1 . . . . 355 GLN C . 17820 1 119 . 1 1 31 31 GLN CA C 13 53.372 0.3 . 1 . . . . 355 GLN CA . 17820 1 120 . 1 1 31 31 GLN CB C 13 32.025 0.3 . 1 . . . . 355 GLN CB . 17820 1 121 . 1 1 31 31 GLN N N 15 117.706 0.3 . 1 . . . . 355 GLN N . 17820 1 122 . 1 1 32 32 MET H H 1 8.758 0.020 . 1 . . . . 356 MET H . 17820 1 123 . 1 1 32 32 MET CA C 13 52.783 0.3 . 1 . . . . 356 MET CA . 17820 1 124 . 1 1 32 32 MET CB C 13 33.187 0.3 . 1 . . . . 356 MET CB . 17820 1 125 . 1 1 32 32 MET N N 15 120.922 0.3 . 1 . . . . 356 MET N . 17820 1 126 . 1 1 33 33 LYS H H 1 9.611 0.020 . 1 . . . . 357 LYS H . 17820 1 127 . 1 1 33 33 LYS C C 13 175.909 0.3 . 1 . . . . 357 LYS C . 17820 1 128 . 1 1 33 33 LYS N N 15 125.329 0.3 . 1 . . . . 357 LYS N . 17820 1 129 . 1 1 36 36 LYS H H 1 7.568 0.020 . 1 . . . . 360 LYS H . 17820 1 130 . 1 1 36 36 LYS C C 13 177.076 0.3 . 1 . . . . 360 LYS C . 17820 1 131 . 1 1 36 36 LYS CA C 13 54.600 0.3 . 1 . . . . 360 LYS CA . 17820 1 132 . 1 1 36 36 LYS CB C 13 31.211 0.3 . 1 . . . . 360 LYS CB . 17820 1 133 . 1 1 36 36 LYS N N 15 119.276 0.3 . 1 . . . . 360 LYS N . 17820 1 134 . 1 1 37 37 GLY H H 1 7.997 0.020 . 1 . . . . 361 GLY H . 17820 1 135 . 1 1 37 37 GLY C C 13 174.052 0.3 . 1 . . . . 361 GLY C . 17820 1 136 . 1 1 37 37 GLY CA C 13 44.619 0.3 . 1 . . . . 361 GLY CA . 17820 1 137 . 1 1 37 37 GLY N N 15 108.145 0.3 . 1 . . . . 361 GLY N . 17820 1 138 . 1 1 38 38 GLU H H 1 7.664 0.020 . 1 . . . . 362 GLU H . 17820 1 139 . 1 1 38 38 GLU C C 13 175.488 0.3 . 1 . . . . 362 GLU C . 17820 1 140 . 1 1 38 38 GLU CA C 13 53.400 0.3 . 1 . . . . 362 GLU CA . 17820 1 141 . 1 1 38 38 GLU CB C 13 29.712 0.3 . 1 . . . . 362 GLU CB . 17820 1 142 . 1 1 38 38 GLU N N 15 120.655 0.3 . 1 . . . . 362 GLU N . 17820 1 143 . 1 1 39 39 ARG H H 1 8.365 0.020 . 1 . . . . 363 ARG H . 17820 1 144 . 1 1 39 39 ARG C C 13 175.592 0.3 . 1 . . . . 363 ARG C . 17820 1 145 . 1 1 39 39 ARG CA C 13 56.313 0.3 . 1 . . . . 363 ARG CA . 17820 1 146 . 1 1 39 39 ARG CB C 13 29.374 0.3 . 1 . . . . 363 ARG CB . 17820 1 147 . 1 1 39 39 ARG N N 15 121.431 0.3 . 1 . . . . 363 ARG N . 17820 1 148 . 1 1 48 48 VAL H H 1 8.416 0.020 . 1 . . . . 372 VAL H . 17820 1 149 . 1 1 48 48 VAL C C 13 174.442 0.3 . 1 . . . . 372 VAL C . 17820 1 150 . 1 1 48 48 VAL CA C 13 62.168 0.3 . 1 . . . . 372 VAL CA . 17820 1 151 . 1 1 48 48 VAL CB C 13 31.193 0.3 . 1 . . . . 372 VAL CB . 17820 1 152 . 1 1 48 48 VAL N N 15 124.246 0.3 . 1 . . . . 372 VAL N . 17820 1 153 . 1 1 49 49 GLU H H 1 7.958 0.020 . 1 . . . . 373 GLU H . 17820 1 154 . 1 1 49 49 GLU C C 13 175.291 0.3 . 1 . . . . 373 GLU C . 17820 1 155 . 1 1 49 49 GLU CA C 13 51.652 0.3 . 1 . . . . 373 GLU CA . 17820 1 156 . 1 1 49 49 GLU CB C 13 30.610 0.3 . 1 . . . . 373 GLU CB . 17820 1 157 . 1 1 49 49 GLU N N 15 127.121 0.3 . 1 . . . . 373 GLU N . 17820 1 158 . 1 1 50 50 PRO C C 13 177.230 0.3 . 1 . . . . 374 PRO C . 17820 1 159 . 1 1 50 50 PRO CA C 13 62.750 0.3 . 1 . . . . 374 PRO CA . 17820 1 160 . 1 1 50 50 PRO CB C 13 32.560 0.3 . 1 . . . . 374 PRO CB . 17820 1 161 . 1 1 51 51 ALA H H 1 8.461 0.020 . 1 . . . . 375 ALA H . 17820 1 162 . 1 1 51 51 ALA C C 13 176.730 0.3 . 1 . . . . 375 ALA C . 17820 1 163 . 1 1 51 51 ALA CA C 13 50.885 0.3 . 1 . . . . 375 ALA CA . 17820 1 164 . 1 1 51 51 ALA CB C 13 17.719 0.3 . 1 . . . . 375 ALA CB . 17820 1 165 . 1 1 51 51 ALA N N 15 119.843 0.3 . 1 . . . . 375 ALA N . 17820 1 166 . 1 1 52 52 THR H H 1 8.160 0.020 . 1 . . . . 376 THR H . 17820 1 167 . 1 1 52 52 THR C C 13 172.357 0.3 . 1 . . . . 376 THR C . 17820 1 168 . 1 1 52 52 THR CA C 13 61.635 0.3 . 1 . . . . 376 THR CA . 17820 1 169 . 1 1 52 52 THR CB C 13 70.381 0.3 . 1 . . . . 376 THR CB . 17820 1 170 . 1 1 52 52 THR N N 15 117.229 0.3 . 1 . . . . 376 THR N . 17820 1 171 . 1 1 53 53 VAL H H 1 9.181 0.020 . 1 . . . . 377 VAL H . 17820 1 172 . 1 1 53 53 VAL C C 13 173.373 0.3 . 1 . . . . 377 VAL C . 17820 1 173 . 1 1 53 53 VAL CA C 13 59.879 0.3 . 1 . . . . 377 VAL CA . 17820 1 174 . 1 1 53 53 VAL CB C 13 31.242 0.3 . 1 . . . . 377 VAL CB . 17820 1 175 . 1 1 53 53 VAL N N 15 127.100 0.3 . 1 . . . . 377 VAL N . 17820 1 176 . 1 1 54 54 ILE H H 1 9.190 0.020 . 1 . . . . 378 ILE H . 17820 1 177 . 1 1 54 54 ILE C C 13 174.536 0.3 . 1 . . . . 378 ILE C . 17820 1 178 . 1 1 54 54 ILE CA C 13 59.532 0.3 . 1 . . . . 378 ILE CA . 17820 1 179 . 1 1 54 54 ILE CB C 13 38.695 0.3 . 1 . . . . 378 ILE CB . 17820 1 180 . 1 1 54 54 ILE N N 15 127.763 0.3 . 1 . . . . 378 ILE N . 17820 1 181 . 1 1 55 55 PHE H H 1 7.096 0.020 . 1 . . . . 379 PHE H . 17820 1 182 . 1 1 55 55 PHE C C 13 176.860 0.3 . 1 . . . . 379 PHE C . 17820 1 183 . 1 1 55 55 PHE CA C 13 56.333 0.3 . 1 . . . . 379 PHE CA . 17820 1 184 . 1 1 55 55 PHE CB C 13 37.684 0.3 . 1 . . . . 379 PHE CB . 17820 1 185 . 1 1 55 55 PHE N N 15 125.588 0.3 . 1 . . . . 379 PHE N . 17820 1 186 . 1 1 56 56 THR H H 1 7.570 0.020 . 1 . . . . 380 THR H . 17820 1 187 . 1 1 56 56 THR C C 13 176.156 0.3 . 1 . . . . 380 THR C . 17820 1 188 . 1 1 56 56 THR CA C 13 59.209 0.3 . 1 . . . . 380 THR CA . 17820 1 189 . 1 1 56 56 THR CB C 13 71.802 0.3 . 1 . . . . 380 THR CB . 17820 1 190 . 1 1 56 56 THR N N 15 114.738 0.3 . 1 . . . . 380 THR N . 17820 1 191 . 1 1 58 58 THR H H 1 7.831 0.020 . 1 . . . . 382 THR H . 17820 1 192 . 1 1 58 58 THR C C 13 173.931 0.3 . 1 . . . . 382 THR C . 17820 1 193 . 1 1 58 58 THR CA C 13 60.500 0.3 . 1 . . . . 382 THR CA . 17820 1 194 . 1 1 58 58 THR CB C 13 67.752 0.3 . 1 . . . . 382 THR CB . 17820 1 195 . 1 1 58 58 THR N N 15 107.489 0.3 . 1 . . . . 382 THR N . 17820 1 196 . 1 1 59 59 GLY H H 1 7.137 0.020 . 1 . . . . 383 GLY H . 17820 1 197 . 1 1 59 59 GLY C C 13 170.904 0.3 . 1 . . . . 383 GLY C . 17820 1 198 . 1 1 59 59 GLY CA C 13 43.615 0.3 . 1 . . . . 383 GLY CA . 17820 1 199 . 1 1 59 59 GLY N N 15 110.766 0.3 . 1 . . . . 383 GLY N . 17820 1 200 . 1 1 60 60 PRO C C 13 176.360 0.3 . 1 . . . . 384 PRO C . 17820 1 201 . 1 1 60 60 PRO CA C 13 61.710 0.3 . 1 . . . . 384 PRO CA . 17820 1 202 . 1 1 60 60 PRO CB C 13 30.940 0.3 . 1 . . . . 384 PRO CB . 17820 1 203 . 1 1 61 61 ILE H H 1 8.701 0.020 . 1 . . . . 385 ILE H . 17820 1 204 . 1 1 61 61 ILE C C 13 173.904 0.3 . 1 . . . . 385 ILE C . 17820 1 205 . 1 1 61 61 ILE CA C 13 57.996 0.3 . 1 . . . . 385 ILE CA . 17820 1 206 . 1 1 61 61 ILE CB C 13 39.930 0.3 . 1 . . . . 385 ILE CB . 17820 1 207 . 1 1 61 61 ILE N N 15 122.597 0.3 . 1 . . . . 385 ILE N . 17820 1 208 . 1 1 62 62 ILE H H 1 8.368 0.020 . 1 . . . . 386 ILE H . 17820 1 209 . 1 1 62 62 ILE C C 13 174.999 0.3 . 1 . . . . 386 ILE C . 17820 1 210 . 1 1 62 62 ILE CA C 13 55.634 0.3 . 1 . . . . 386 ILE CA . 17820 1 211 . 1 1 62 62 ILE CB C 13 34.724 0.3 . 1 . . . . 386 ILE CB . 17820 1 212 . 1 1 62 62 ILE N N 15 125.852 0.3 . 1 . . . . 386 ILE N . 17820 1 213 . 1 1 63 63 GLU H H 1 9.034 0.020 . 1 . . . . 387 GLU H . 17820 1 214 . 1 1 63 63 GLU C C 13 174.003 0.3 . 1 . . . . 387 GLU C . 17820 1 215 . 1 1 63 63 GLU CA C 13 53.298 0.3 . 1 . . . . 387 GLU CA . 17820 1 216 . 1 1 63 63 GLU CB C 13 31.818 0.3 . 1 . . . . 387 GLU CB . 17820 1 217 . 1 1 63 63 GLU N N 15 125.344 0.3 . 1 . . . . 387 GLU N . 17820 1 218 . 1 1 64 64 LEU H H 1 8.877 0.020 . 1 . . . . 388 LEU H . 17820 1 219 . 1 1 64 64 LEU C C 13 174.649 0.3 . 1 . . . . 388 LEU C . 17820 1 220 . 1 1 64 64 LEU CA C 13 51.566 0.3 . 1 . . . . 388 LEU CA . 17820 1 221 . 1 1 64 64 LEU CB C 13 46.107 0.3 . 1 . . . . 388 LEU CB . 17820 1 222 . 1 1 64 64 LEU N N 15 131.376 0.3 . 1 . . . . 388 LEU N . 17820 1 223 . 1 1 65 65 GLY H H 1 9.678 0.020 . 1 . . . . 389 GLY H . 17820 1 224 . 1 1 65 65 GLY C C 13 171.572 0.3 . 1 . . . . 389 GLY C . 17820 1 225 . 1 1 65 65 GLY CA C 13 43.742 0.3 . 1 . . . . 389 GLY CA . 17820 1 226 . 1 1 65 65 GLY N N 15 113.911 0.3 . 1 . . . . 389 GLY N . 17820 1 227 . 1 1 66 66 LEU H H 1 8.942 0.020 . 1 . . . . 390 LEU H . 17820 1 228 . 1 1 66 66 LEU C C 13 176.619 0.3 . 1 . . . . 390 LEU C . 17820 1 229 . 1 1 66 66 LEU CA C 13 52.506 0.3 . 1 . . . . 390 LEU CA . 17820 1 230 . 1 1 66 66 LEU CB C 13 40.889 0.3 . 1 . . . . 390 LEU CB . 17820 1 231 . 1 1 66 66 LEU N N 15 126.786 0.3 . 1 . . . . 390 LEU N . 17820 1 232 . 1 1 67 67 LYS H H 1 7.958 0.020 . 1 . . . . 391 LYS H . 17820 1 233 . 1 1 67 67 LYS C C 13 176.444 0.3 . 1 . . . . 391 LYS C . 17820 1 234 . 1 1 67 67 LYS CA C 13 54.105 0.3 . 1 . . . . 391 LYS CA . 17820 1 235 . 1 1 67 67 LYS CB C 13 32.292 0.3 . 1 . . . . 391 LYS CB . 17820 1 236 . 1 1 67 67 LYS N N 15 120.548 0.3 . 1 . . . . 391 LYS N . 17820 1 237 . 1 1 68 68 THR H H 1 9.081 0.020 . 1 . . . . 392 THR H . 17820 1 238 . 1 1 68 68 THR N N 15 115.885 0.3 . 1 . . . . 392 THR N . 17820 1 239 . 1 1 69 69 ALA H H 1 8.519 0.020 . 1 . . . . 393 ALA H . 17820 1 240 . 1 1 69 69 ALA C C 13 177.846 0.3 . 1 . . . . 393 ALA C . 17820 1 241 . 1 1 69 69 ALA CA C 13 55.118 0.3 . 1 . . . . 393 ALA CA . 17820 1 242 . 1 1 69 69 ALA CB C 13 18.974 0.3 . 1 . . . . 393 ALA CB . 17820 1 243 . 1 1 69 69 ALA N N 15 123.066 0.3 . 1 . . . . 393 ALA N . 17820 1 244 . 1 1 70 70 SER H H 1 8.695 0.020 . 1 . . . . 394 SER H . 17820 1 245 . 1 1 70 70 SER CA C 13 60.386 0.3 . 1 . . . . 394 SER CA . 17820 1 246 . 1 1 70 70 SER CB C 13 62.018 0.3 . 1 . . . . 394 SER CB . 17820 1 247 . 1 1 70 70 SER N N 15 109.742 0.3 . 1 . . . . 394 SER N . 17820 1 248 . 1 1 71 71 THR H H 1 8.392 0.020 . 1 . . . . 395 THR H . 17820 1 249 . 1 1 71 71 THR C C 13 174.782 0.3 . 1 . . . . 395 THR C . 17820 1 250 . 1 1 71 71 THR CA C 13 61.216 0.3 . 1 . . . . 395 THR CA . 17820 1 251 . 1 1 71 71 THR CB C 13 69.325 0.3 . 1 . . . . 395 THR CB . 17820 1 252 . 1 1 71 71 THR N N 15 112.880 0.3 . 1 . . . . 395 THR N . 17820 1 253 . 1 1 72 72 TRP H H 1 7.564 0.020 . 1 . . . . 396 TRP H . 17820 1 254 . 1 1 72 72 TRP C C 13 175.383 0.3 . 1 . . . . 396 TRP C . 17820 1 255 . 1 1 72 72 TRP CA C 13 57.710 0.3 . 1 . . . . 396 TRP CA . 17820 1 256 . 1 1 72 72 TRP CB C 13 28.854 0.3 . 1 . . . . 396 TRP CB . 17820 1 257 . 1 1 72 72 TRP N N 15 123.551 0.3 . 1 . . . . 396 TRP N . 17820 1 258 . 1 1 76 76 GLU H H 1 8.477 0.020 . 1 . . . . 400 GLU H . 17820 1 259 . 1 1 76 76 GLU C C 13 174.527 0.3 . 1 . . . . 400 GLU C . 17820 1 260 . 1 1 76 76 GLU CA C 13 53.430 0.3 . 1 . . . . 400 GLU CA . 17820 1 261 . 1 1 76 76 GLU CB C 13 32.374 0.3 . 1 . . . . 400 GLU CB . 17820 1 262 . 1 1 76 76 GLU N N 15 124.985 0.3 . 1 . . . . 400 GLU N . 17820 1 263 . 1 1 77 77 VAL H H 1 8.406 0.020 . 1 . . . . 401 VAL H . 17820 1 264 . 1 1 77 77 VAL C C 13 173.374 0.3 . 1 . . . . 401 VAL C . 17820 1 265 . 1 1 77 77 VAL CA C 13 59.782 0.3 . 1 . . . . 401 VAL CA . 17820 1 266 . 1 1 77 77 VAL CB C 13 32.415 0.3 . 1 . . . . 401 VAL CB . 17820 1 267 . 1 1 77 77 VAL N N 15 121.281 0.3 . 1 . . . . 401 VAL N . 17820 1 268 . 1 1 78 78 TYR H H 1 9.271 0.020 . 1 . . . . 402 TYR H . 17820 1 269 . 1 1 78 78 TYR C C 13 175.572 0.3 . 1 . . . . 402 TYR C . 17820 1 270 . 1 1 78 78 TYR CA C 13 55.755 0.3 . 1 . . . . 402 TYR CA . 17820 1 271 . 1 1 78 78 TYR CB C 13 41.174 0.3 . 1 . . . . 402 TYR CB . 17820 1 272 . 1 1 78 78 TYR N N 15 123.866 0.3 . 1 . . . . 402 TYR N . 17820 1 273 . 1 1 79 79 GLU H H 1 8.629 0.020 . 1 . . . . 403 GLU H . 17820 1 274 . 1 1 79 79 GLU C C 13 176.910 0.3 . 1 . . . . 403 GLU C . 17820 1 275 . 1 1 79 79 GLU CA C 13 53.873 0.3 . 1 . . . . 403 GLU CA . 17820 1 276 . 1 1 79 79 GLU CB C 13 30.600 0.3 . 1 . . . . 403 GLU CB . 17820 1 277 . 1 1 79 79 GLU N N 15 123.753 0.3 . 1 . . . . 403 GLU N . 17820 1 278 . 1 1 80 80 GLY H H 1 8.856 0.020 . 1 . . . . 404 GLY H . 17820 1 279 . 1 1 80 80 GLY C C 13 174.240 0.3 . 1 . . . . 404 GLY C . 17820 1 280 . 1 1 80 80 GLY CA C 13 46.378 0.3 . 1 . . . . 404 GLY CA . 17820 1 281 . 1 1 80 80 GLY N N 15 118.870 0.3 . 1 . . . . 404 GLY N . 17820 1 282 . 1 1 81 81 ASP H H 1 8.632 0.020 . 1 . . . . 405 ASP H . 17820 1 283 . 1 1 81 81 ASP C C 13 175.718 0.3 . 1 . . . . 405 ASP C . 17820 1 284 . 1 1 81 81 ASP CA C 13 53.430 0.3 . 1 . . . . 405 ASP CA . 17820 1 285 . 1 1 81 81 ASP CB C 13 39.945 0.3 . 1 . . . . 405 ASP CB . 17820 1 286 . 1 1 81 81 ASP N N 15 126.276 0.3 . 1 . . . . 405 ASP N . 17820 1 287 . 1 1 82 82 LYS H H 1 8.037 0.020 . 1 . . . . 406 LYS H . 17820 1 288 . 1 1 82 82 LYS C C 13 174.490 0.3 . 1 . . . . 406 LYS C . 17820 1 289 . 1 1 82 82 LYS CA C 13 54.924 0.3 . 1 . . . . 406 LYS CA . 17820 1 290 . 1 1 82 82 LYS CB C 13 32.280 0.3 . 1 . . . . 406 LYS CB . 17820 1 291 . 1 1 82 82 LYS N N 15 122.854 0.3 . 1 . . . . 406 LYS N . 17820 1 292 . 1 1 83 83 LYS H H 1 8.393 0.020 . 1 . . . . 407 LYS H . 17820 1 293 . 1 1 83 83 LYS C C 13 176.489 0.3 . 1 . . . . 407 LYS C . 17820 1 294 . 1 1 83 83 LYS CA C 13 56.281 0.3 . 1 . . . . 407 LYS CA . 17820 1 295 . 1 1 83 83 LYS CB C 13 31.348 0.3 . 1 . . . . 407 LYS CB . 17820 1 296 . 1 1 83 83 LYS N N 15 128.671 0.3 . 1 . . . . 407 LYS N . 17820 1 297 . 1 1 84 84 LEU H H 1 8.894 0.020 . 1 . . . . 408 LEU H . 17820 1 298 . 1 1 84 84 LEU C C 13 174.936 0.3 . 1 . . . . 408 LEU C . 17820 1 299 . 1 1 84 84 LEU CA C 13 51.566 0.3 . 1 . . . . 408 LEU CA . 17820 1 300 . 1 1 84 84 LEU CB C 13 39.915 0.3 . 1 . . . . 408 LEU CB . 17820 1 301 . 1 1 84 84 LEU N N 15 130.513 0.3 . 1 . . . . 408 LEU N . 17820 1 302 . 1 1 85 85 PRO C C 13 175.450 0.3 . 1 . . . . 409 PRO C . 17820 1 303 . 1 1 85 85 PRO CA C 13 61.470 0.3 . 1 . . . . 409 PRO CA . 17820 1 304 . 1 1 85 85 PRO CB C 13 29.360 0.3 . 1 . . . . 409 PRO CB . 17820 1 305 . 1 1 86 86 VAL H H 1 7.802 0.020 . 1 . . . . 410 VAL H . 17820 1 306 . 1 1 86 86 VAL C C 13 175.772 0.3 . 1 . . . . 410 VAL C . 17820 1 307 . 1 1 86 86 VAL CA C 13 60.750 0.3 . 1 . . . . 410 VAL CA . 17820 1 308 . 1 1 86 86 VAL CB C 13 32.804 0.3 . 1 . . . . 410 VAL CB . 17820 1 309 . 1 1 86 86 VAL N N 15 124.208 0.3 . 1 . . . . 410 VAL N . 17820 1 310 . 1 1 87 87 GLU H H 1 8.989 0.020 . 1 . . . . 411 GLU H . 17820 1 311 . 1 1 87 87 GLU C C 13 175.122 0.3 . 1 . . . . 411 GLU C . 17820 1 312 . 1 1 87 87 GLU CA C 13 53.371 0.3 . 1 . . . . 411 GLU CA . 17820 1 313 . 1 1 87 87 GLU CB C 13 31.676 0.3 . 1 . . . . 411 GLU CB . 17820 1 314 . 1 1 87 87 GLU N N 15 128.404 0.3 . 1 . . . . 411 GLU N . 17820 1 315 . 1 1 88 88 LEU H H 1 8.764 0.020 . 1 . . . . 412 LEU H . 17820 1 316 . 1 1 88 88 LEU C C 13 176.069 0.3 . 1 . . . . 412 LEU C . 17820 1 317 . 1 1 88 88 LEU CA C 13 53.472 0.3 . 1 . . . . 412 LEU CA . 17820 1 318 . 1 1 88 88 LEU CB C 13 40.554 0.3 . 1 . . . . 412 LEU CB . 17820 1 319 . 1 1 88 88 LEU N N 15 128.555 0.3 . 1 . . . . 412 LEU N . 17820 1 320 . 1 1 89 89 VAL H H 1 8.472 0.020 . 1 . . . . 413 VAL H . 17820 1 321 . 1 1 89 89 VAL C C 13 175.387 0.3 . 1 . . . . 413 VAL C . 17820 1 322 . 1 1 89 89 VAL CA C 13 60.968 0.3 . 1 . . . . 413 VAL CA . 17820 1 323 . 1 1 89 89 VAL CB C 13 31.131 0.3 . 1 . . . . 413 VAL CB . 17820 1 324 . 1 1 89 89 VAL N N 15 120.498 0.3 . 1 . . . . 413 VAL N . 17820 1 325 . 1 1 90 90 SER H H 1 6.942 0.020 . 1 . . . . 414 SER H . 17820 1 326 . 1 1 90 90 SER C C 13 172.237 0.3 . 1 . . . . 414 SER C . 17820 1 327 . 1 1 90 90 SER CA C 13 57.827 0.3 . 1 . . . . 414 SER CA . 17820 1 328 . 1 1 90 90 SER CB C 13 62.249 0.3 . 1 . . . . 414 SER CB . 17820 1 329 . 1 1 90 90 SER N N 15 110.322 0.3 . 1 . . . . 414 SER N . 17820 1 330 . 1 1 91 91 TYR H H 1 8.118 0.020 . 1 . . . . 415 TYR H . 17820 1 331 . 1 1 91 91 TYR C C 13 172.806 0.3 . 1 . . . . 415 TYR C . 17820 1 332 . 1 1 91 91 TYR CA C 13 54.736 0.3 . 1 . . . . 415 TYR CA . 17820 1 333 . 1 1 91 91 TYR CB C 13 40.575 0.3 . 1 . . . . 415 TYR CB . 17820 1 334 . 1 1 91 91 TYR N N 15 127.589 0.3 . 1 . . . . 415 TYR N . 17820 1 335 . 1 1 92 92 ASP H H 1 8.974 0.020 . 1 . . . . 416 ASP H . 17820 1 336 . 1 1 92 92 ASP C C 13 175.991 0.3 . 1 . . . . 416 ASP C . 17820 1 337 . 1 1 92 92 ASP CA C 13 51.685 0.3 . 1 . . . . 416 ASP CA . 17820 1 338 . 1 1 92 92 ASP CB C 13 40.524 0.3 . 1 . . . . 416 ASP CB . 17820 1 339 . 1 1 92 92 ASP N N 15 129.238 0.3 . 1 . . . . 416 ASP N . 17820 1 340 . 1 1 93 93 SER H H 1 8.458 0.020 . 1 . . . . 417 SER H . 17820 1 341 . 1 1 93 93 SER C C 13 176.049 0.3 . 1 . . . . 417 SER C . 17820 1 342 . 1 1 93 93 SER CA C 13 59.854 0.3 . 1 . . . . 417 SER CA . 17820 1 343 . 1 1 93 93 SER CB C 13 62.198 0.3 . 1 . . . . 417 SER CB . 17820 1 344 . 1 1 93 93 SER N N 15 122.769 0.3 . 1 . . . . 417 SER N . 17820 1 345 . 1 1 94 94 ASP H H 1 8.158 0.020 . 1 . . . . 418 ASP H . 17820 1 346 . 1 1 94 94 ASP C C 13 177.686 0.3 . 1 . . . . 418 ASP C . 17820 1 347 . 1 1 94 94 ASP CA C 13 55.781 0.3 . 1 . . . . 418 ASP CA . 17820 1 348 . 1 1 94 94 ASP CB C 13 40.986 0.3 . 1 . . . . 418 ASP CB . 17820 1 349 . 1 1 94 94 ASP N N 15 123.506 0.3 . 1 . . . . 418 ASP N . 17820 1 350 . 1 1 95 95 LYS H H 1 7.102 0.020 . 1 . . . . 419 LYS H . 17820 1 351 . 1 1 95 95 LYS C C 13 176.341 0.3 . 1 . . . . 419 LYS C . 17820 1 352 . 1 1 95 95 LYS CA C 13 55.106 0.3 . 1 . . . . 419 LYS CA . 17820 1 353 . 1 1 95 95 LYS CB C 13 30.957 0.3 . 1 . . . . 419 LYS CB . 17820 1 354 . 1 1 95 95 LYS N N 15 115.372 0.3 . 1 . . . . 419 LYS N . 17820 1 355 . 1 1 96 96 ASP H H 1 8.058 0.020 . 1 . . . . 420 ASP H . 17820 1 356 . 1 1 96 96 ASP C C 13 175.230 0.3 . 1 . . . . 420 ASP C . 17820 1 357 . 1 1 96 96 ASP CA C 13 54.616 0.3 . 1 . . . . 420 ASP CA . 17820 1 358 . 1 1 96 96 ASP CB C 13 38.228 0.3 . 1 . . . . 420 ASP CB . 17820 1 359 . 1 1 96 96 ASP N N 15 119.808 0.3 . 1 . . . . 420 ASP N . 17820 1 360 . 1 1 97 97 TYR H H 1 6.997 0.020 . 1 . . . . 421 TYR H . 17820 1 361 . 1 1 97 97 TYR C C 13 174.913 0.3 . 1 . . . . 421 TYR C . 17820 1 362 . 1 1 97 97 TYR CA C 13 51.672 0.3 . 1 . . . . 421 TYR CA . 17820 1 363 . 1 1 97 97 TYR CB C 13 38.817 0.3 . 1 . . . . 421 TYR CB . 17820 1 364 . 1 1 97 97 TYR N N 15 116.460 0.3 . 1 . . . . 421 TYR N . 17820 1 365 . 1 1 99 99 TYR H H 1 8.408 0.020 . 1 . . . . 423 TYR H . 17820 1 366 . 1 1 99 99 TYR C C 13 174.423 0.3 . 1 . . . . 423 TYR C . 17820 1 367 . 1 1 99 99 TYR CA C 13 56.904 0.3 . 1 . . . . 423 TYR CA . 17820 1 368 . 1 1 99 99 TYR CB C 13 38.080 0.3 . 1 . . . . 423 TYR CB . 17820 1 369 . 1 1 99 99 TYR N N 15 119.010 0.3 . 1 . . . . 423 TYR N . 17820 1 370 . 1 1 100 100 ILE H H 1 8.671 0.020 . 1 . . . . 424 ILE H . 17820 1 371 . 1 1 100 100 ILE CA C 13 56.894 0.3 . 1 . . . . 424 ILE CA . 17820 1 372 . 1 1 100 100 ILE CB C 13 39.885 0.3 . 1 . . . . 424 ILE CB . 17820 1 373 . 1 1 100 100 ILE N N 15 119.605 0.3 . 1 . . . . 424 ILE N . 17820 1 374 . 1 1 101 101 ARG H H 1 9.044 0.020 . 1 . . . . 425 ARG H . 17820 1 375 . 1 1 101 101 ARG C C 13 176.300 0.3 . 1 . . . . 425 ARG C . 17820 1 376 . 1 1 101 101 ARG CA C 13 53.197 0.3 . 1 . . . . 425 ARG CA . 17820 1 377 . 1 1 101 101 ARG CB C 13 34.048 0.3 . 1 . . . . 425 ARG CB . 17820 1 378 . 1 1 101 101 ARG N N 15 119.330 0.3 . 1 . . . . 425 ARG N . 17820 1 379 . 1 1 102 102 PHE H H 1 8.172 0.020 . 1 . . . . 426 PHE H . 17820 1 380 . 1 1 102 102 PHE C C 13 171.223 0.3 . 1 . . . . 426 PHE C . 17820 1 381 . 1 1 102 102 PHE CA C 13 52.790 0.3 . 1 . . . . 426 PHE CA . 17820 1 382 . 1 1 102 102 PHE CB C 13 37.821 0.3 . 1 . . . . 426 PHE CB . 17820 1 383 . 1 1 102 102 PHE N N 15 116.233 0.3 . 1 . . . . 426 PHE N . 17820 1 384 . 1 1 103 103 PRO C C 13 175.820 0.3 . 1 . . . . 427 PRO C . 17820 1 385 . 1 1 103 103 PRO CA C 13 61.440 0.3 . 1 . . . . 427 PRO CA . 17820 1 386 . 1 1 103 103 PRO CB C 13 31.130 0.3 . 1 . . . . 427 PRO CB . 17820 1 387 . 1 1 104 104 VAL H H 1 7.213 0.020 . 1 . . . . 428 VAL H . 17820 1 388 . 1 1 104 104 VAL C C 13 175.658 0.3 . 1 . . . . 428 VAL C . 17820 1 389 . 1 1 104 104 VAL CA C 13 57.740 0.3 . 1 . . . . 428 VAL CA . 17820 1 390 . 1 1 104 104 VAL CB C 13 34.120 0.3 . 1 . . . . 428 VAL CB . 17820 1 391 . 1 1 104 104 VAL N N 15 109.335 0.3 . 1 . . . . 428 VAL N . 17820 1 392 . 1 1 105 105 SER H H 1 9.311 0.020 . 1 . . . . 429 SER H . 17820 1 393 . 1 1 105 105 SER C C 13 175.546 0.3 . 1 . . . . 429 SER C . 17820 1 394 . 1 1 105 105 SER CA C 13 57.978 0.3 . 1 . . . . 429 SER CA . 17820 1 395 . 1 1 105 105 SER CB C 13 62.303 0.3 . 1 . . . . 429 SER CB . 17820 1 396 . 1 1 105 105 SER N N 15 118.248 0.3 . 1 . . . . 429 SER N . 17820 1 397 . 1 1 106 106 ASN H H 1 8.622 0.020 . 1 . . . . 430 ASN H . 17820 1 398 . 1 1 106 106 ASN C C 13 177.043 0.3 . 1 . . . . 430 ASN C . 17820 1 399 . 1 1 106 106 ASN CA C 13 54.557 0.3 . 1 . . . . 430 ASN CA . 17820 1 400 . 1 1 106 106 ASN CB C 13 38.176 0.3 . 1 . . . . 430 ASN CB . 17820 1 401 . 1 1 106 106 ASN N N 15 122.209 0.3 . 1 . . . . 430 ASN N . 17820 1 402 . 1 1 107 107 GLY H H 1 9.513 0.020 . 1 . . . . 431 GLY H . 17820 1 403 . 1 1 107 107 GLY C C 13 174.208 0.3 . 1 . . . . 431 GLY C . 17820 1 404 . 1 1 107 107 GLY CA C 13 43.998 0.3 . 1 . . . . 431 GLY CA . 17820 1 405 . 1 1 107 107 GLY N N 15 115.265 0.3 . 1 . . . . 431 GLY N . 17820 1 406 . 1 1 108 108 THR H H 1 7.748 0.020 . 1 . . . . 432 THR H . 17820 1 407 . 1 1 108 108 THR C C 13 173.358 0.3 . 1 . . . . 432 THR C . 17820 1 408 . 1 1 108 108 THR CA C 13 65.060 0.3 . 1 . . . . 432 THR CA . 17820 1 409 . 1 1 108 108 THR CB C 13 68.652 0.3 . 1 . . . . 432 THR CB . 17820 1 410 . 1 1 108 108 THR N N 15 120.876 0.3 . 1 . . . . 432 THR N . 17820 1 411 . 1 1 109 109 ARG H H 1 9.134 0.020 . 1 . . . . 433 ARG H . 17820 1 412 . 1 1 109 109 ARG CA C 13 55.232 0.3 . 1 . . . . 433 ARG CA . 17820 1 413 . 1 1 109 109 ARG CB C 13 31.783 0.3 . 1 . . . . 433 ARG CB . 17820 1 414 . 1 1 109 109 ARG N N 15 126.120 0.3 . 1 . . . . 433 ARG N . 17820 1 415 . 1 1 110 110 GLU H H 1 7.717 0.020 . 1 . . . . 434 GLU H . 17820 1 416 . 1 1 110 110 GLU CA C 13 53.367 0.3 . 1 . . . . 434 GLU CA . 17820 1 417 . 1 1 110 110 GLU CB C 13 31.147 0.3 . 1 . . . . 434 GLU CB . 17820 1 418 . 1 1 110 110 GLU N N 15 116.699 0.3 . 1 . . . . 434 GLU N . 17820 1 419 . 1 1 111 111 VAL H H 1 8.479 0.020 . 1 . . . . 435 VAL H . 17820 1 420 . 1 1 111 111 VAL C C 13 173.190 0.3 . 1 . . . . 435 VAL C . 17820 1 421 . 1 1 111 111 VAL CA C 13 59.118 0.3 . 1 . . . . 435 VAL CA . 17820 1 422 . 1 1 111 111 VAL CB C 13 34.067 0.3 . 1 . . . . 435 VAL CB . 17820 1 423 . 1 1 111 111 VAL N N 15 113.040 0.3 . 1 . . . . 435 VAL N . 17820 1 424 . 1 1 112 112 LYS H H 1 8.738 0.020 . 1 . . . . 436 LYS H . 17820 1 425 . 1 1 112 112 LYS C C 13 174.500 0.3 . 1 . . . . 436 LYS C . 17820 1 426 . 1 1 112 112 LYS CA C 13 53.900 0.3 . 1 . . . . 436 LYS CA . 17820 1 427 . 1 1 112 112 LYS CB C 13 33.505 0.3 . 1 . . . . 436 LYS CB . 17820 1 428 . 1 1 112 112 LYS N N 15 123.606 0.3 . 1 . . . . 436 LYS N . 17820 1 429 . 1 1 113 113 ILE H H 1 9.126 0.020 . 1 . . . . 437 ILE H . 17820 1 430 . 1 1 113 113 ILE CA C 13 58.149 0.3 . 1 . . . . 437 ILE CA . 17820 1 431 . 1 1 113 113 ILE CB C 13 39.820 0.3 . 1 . . . . 437 ILE CB . 17820 1 432 . 1 1 113 113 ILE N N 15 126.158 0.3 . 1 . . . . 437 ILE N . 17820 1 433 . 1 1 114 114 VAL H H 1 8.926 0.020 . 1 . . . . 438 VAL H . 17820 1 434 . 1 1 114 114 VAL C C 13 174.708 0.3 . 1 . . . . 438 VAL C . 17820 1 435 . 1 1 114 114 VAL N N 15 133.167 0.3 . 1 . . . . 438 VAL N . 17820 1 436 . 1 1 118 118 GLU H H 1 8.679 0.020 . 1 . . . . 442 GLU H . 17820 1 437 . 1 1 118 118 GLU C C 13 174.461 0.3 . 1 . . . . 442 GLU C . 17820 1 438 . 1 1 118 118 GLU CA C 13 55.104 0.3 . 1 . . . . 442 GLU CA . 17820 1 439 . 1 1 118 118 GLU CB C 13 31.449 0.3 . 1 . . . . 442 GLU CB . 17820 1 440 . 1 1 118 118 GLU N N 15 123.816 0.3 . 1 . . . . 442 GLU N . 17820 1 441 . 1 1 119 119 TYR H H 1 8.270 0.020 . 1 . . . . 443 TYR H . 17820 1 442 . 1 1 119 119 TYR CA C 13 56.069 0.3 . 1 . . . . 443 TYR CA . 17820 1 443 . 1 1 119 119 TYR CB C 13 38.522 0.3 . 1 . . . . 443 TYR CB . 17820 1 444 . 1 1 119 119 TYR N N 15 123.402 0.3 . 1 . . . . 443 TYR N . 17820 1 445 . 1 1 120 120 GLY H H 1 8.270 0.020 . 1 . . . . 444 GLY H . 17820 1 446 . 1 1 120 120 GLY C C 13 174.423 0.3 . 1 . . . . 444 GLY C . 17820 1 447 . 1 1 120 120 GLY CA C 13 44.864 0.3 . 1 . . . . 444 GLY CA . 17820 1 448 . 1 1 120 120 GLY N N 15 108.749 0.3 . 1 . . . . 444 GLY N . 17820 1 449 . 1 1 121 121 GLU H H 1 8.335 0.020 . 1 . . . . 445 GLU H . 17820 1 450 . 1 1 121 121 GLU C C 13 176.355 0.3 . 1 . . . . 445 GLU C . 17820 1 451 . 1 1 121 121 GLU CA C 13 55.753 0.3 . 1 . . . . 445 GLU CA . 17820 1 452 . 1 1 121 121 GLU CB C 13 27.559 0.3 . 1 . . . . 445 GLU CB . 17820 1 453 . 1 1 121 121 GLU N N 15 122.676 0.3 . 1 . . . . 445 GLU N . 17820 1 454 . 1 1 122 122 ASN H H 1 8.105 0.020 . 1 . . . . 446 ASN H . 17820 1 455 . 1 1 122 122 ASN C C 13 174.395 0.3 . 1 . . . . 446 ASN C . 17820 1 456 . 1 1 122 122 ASN CA C 13 53.387 0.3 . 1 . . . . 446 ASN CA . 17820 1 457 . 1 1 122 122 ASN CB C 13 37.617 0.3 . 1 . . . . 446 ASN CB . 17820 1 458 . 1 1 122 122 ASN N N 15 116.517 0.3 . 1 . . . . 446 ASN N . 17820 1 459 . 1 1 123 123 ILE H H 1 7.602 0.020 . 1 . . . . 447 ILE H . 17820 1 460 . 1 1 123 123 ILE C C 13 174.965 0.3 . 1 . . . . 447 ILE C . 17820 1 461 . 1 1 123 123 ILE CA C 13 60.412 0.3 . 1 . . . . 447 ILE CA . 17820 1 462 . 1 1 123 123 ILE CB C 13 35.822 0.3 . 1 . . . . 447 ILE CB . 17820 1 463 . 1 1 123 123 ILE N N 15 120.540 0.3 . 1 . . . . 447 ILE N . 17820 1 464 . 1 1 124 124 HIS H H 1 8.232 0.020 . 1 . . . . 448 HIS H . 17820 1 465 . 1 1 124 124 HIS C C 13 173.796 0.3 . 1 . . . . 448 HIS C . 17820 1 466 . 1 1 124 124 HIS CA C 13 53.870 0.3 . 1 . . . . 448 HIS CA . 17820 1 467 . 1 1 124 124 HIS CB C 13 29.409 0.3 . 1 . . . . 448 HIS CB . 17820 1 468 . 1 1 124 124 HIS N N 15 124.918 0.3 . 1 . . . . 448 HIS N . 17820 1 469 . 1 1 125 125 GLU H H 1 8.256 0.020 . 1 . . . . 449 GLU H . 17820 1 470 . 1 1 125 125 GLU C C 13 174.051 0.3 . 1 . . . . 449 GLU C . 17820 1 471 . 1 1 125 125 GLU CA C 13 54.542 0.3 . 1 . . . . 449 GLU CA . 17820 1 472 . 1 1 125 125 GLU CB C 13 31.196 0.3 . 1 . . . . 449 GLU CB . 17820 1 473 . 1 1 125 125 GLU N N 15 125.135 0.3 . 1 . . . . 449 GLU N . 17820 1 474 . 1 1 126 126 ASP H H 1 8.401 0.020 . 1 . . . . 450 ASP H . 17820 1 475 . 1 1 126 126 ASP C C 13 174.844 0.3 . 1 . . . . 450 ASP C . 17820 1 476 . 1 1 126 126 ASP CA C 13 53.475 0.3 . 1 . . . . 450 ASP CA . 17820 1 477 . 1 1 126 126 ASP CB C 13 41.964 0.3 . 1 . . . . 450 ASP CB . 17820 1 478 . 1 1 126 126 ASP N N 15 123.551 0.3 . 1 . . . . 450 ASP N . 17820 1 479 . 1 1 132 132 MET H H 1 9.036 0.020 . 1 . . . . 456 MET H . 17820 1 480 . 1 1 132 132 MET C C 13 173.574 0.3 . 1 . . . . 456 MET C . 17820 1 481 . 1 1 132 132 MET CA C 13 53.974 0.3 . 1 . . . . 456 MET CA . 17820 1 482 . 1 1 132 132 MET CB C 13 31.756 0.3 . 1 . . . . 456 MET CB . 17820 1 483 . 1 1 132 132 MET N N 15 129.830 0.3 . 1 . . . . 456 MET N . 17820 1 484 . 1 1 133 133 VAL H H 1 8.764 0.020 . 1 . . . . 457 VAL H . 17820 1 485 . 1 1 133 133 VAL C C 13 177.677 0.3 . 1 . . . . 457 VAL C . 17820 1 486 . 1 1 133 133 VAL CA C 13 60.384 0.3 . 1 . . . . 457 VAL CA . 17820 1 487 . 1 1 133 133 VAL CB C 13 31.774 0.3 . 1 . . . . 457 VAL CB . 17820 1 488 . 1 1 133 133 VAL N N 15 126.311 0.3 . 1 . . . . 457 VAL N . 17820 1 489 . 1 1 134 134 PHE H H 1 8.662 0.020 . 1 . . . . 458 PHE H . 17820 1 490 . 1 1 134 134 PHE C C 13 176.858 0.3 . 1 . . . . 458 PHE C . 17820 1 491 . 1 1 134 134 PHE CA C 13 58.652 0.3 . 1 . . . . 458 PHE CA . 17820 1 492 . 1 1 134 134 PHE CB C 13 39.931 0.3 . 1 . . . . 458 PHE CB . 17820 1 493 . 1 1 134 134 PHE N N 15 129.109 0.3 . 1 . . . . 458 PHE N . 17820 1 494 . 1 1 135 135 ALA H H 1 8.502 0.020 . 1 . . . . 459 ALA H . 17820 1 495 . 1 1 135 135 ALA C C 13 176.686 0.3 . 1 . . . . 459 ALA C . 17820 1 496 . 1 1 135 135 ALA CA C 13 53.753 0.3 . 1 . . . . 459 ALA CA . 17820 1 497 . 1 1 135 135 ALA CB C 13 18.921 0.3 . 1 . . . . 459 ALA CB . 17820 1 498 . 1 1 135 135 ALA N N 15 122.484 0.3 . 1 . . . . 459 ALA N . 17820 1 499 . 1 1 136 136 GLN H H 1 7.706 0.020 . 1 . . . . 460 GLN H . 17820 1 500 . 1 1 136 136 GLN CA C 13 51.664 0.3 . 1 . . . . 460 GLN CA . 17820 1 501 . 1 1 136 136 GLN CB C 13 29.098 0.3 . 1 . . . . 460 GLN CB . 17820 1 502 . 1 1 136 136 GLN N N 15 112.136 0.3 . 1 . . . . 460 GLN N . 17820 1 503 . 1 1 137 137 PRO C C 13 176.270 0.3 . 1 . . . . 461 PRO C . 17820 1 504 . 1 1 137 137 PRO CA C 13 61.570 0.3 . 1 . . . . 461 PRO CA . 17820 1 505 . 1 1 137 137 PRO CB C 13 30.020 0.3 . 1 . . . . 461 PRO CB . 17820 1 506 . 1 1 138 138 ILE H H 1 8.657 0.020 . 1 . . . . 462 ILE H . 17820 1 507 . 1 1 138 138 ILE C C 13 176.266 0.3 . 1 . . . . 462 ILE C . 17820 1 508 . 1 1 138 138 ILE CA C 13 58.260 0.3 . 1 . . . . 462 ILE CA . 17820 1 509 . 1 1 138 138 ILE CB C 13 33.561 0.3 . 1 . . . . 462 ILE CB . 17820 1 510 . 1 1 138 138 ILE N N 15 124.235 0.3 . 1 . . . . 462 ILE N . 17820 1 511 . 1 1 139 139 THR H H 1 7.662 0.020 . 1 . . . . 463 THR H . 17820 1 512 . 1 1 139 139 THR C C 13 175.806 0.3 . 1 . . . . 463 THR C . 17820 1 513 . 1 1 139 139 THR CA C 13 58.628 0.3 . 1 . . . . 463 THR CA . 17820 1 514 . 1 1 139 139 THR CB C 13 70.329 0.3 . 1 . . . . 463 THR CB . 17820 1 515 . 1 1 139 139 THR N N 15 117.290 0.3 . 1 . . . . 463 THR N . 17820 1 516 . 1 1 140 140 ASN H H 1 8.360 0.020 . 1 . . . . 464 ASN H . 17820 1 517 . 1 1 140 140 ASN C C 13 173.875 0.3 . 1 . . . . 464 ASN C . 17820 1 518 . 1 1 140 140 ASN CA C 13 51.009 0.3 . 1 . . . . 464 ASN CA . 17820 1 519 . 1 1 140 140 ASN CB C 13 38.843 0.3 . 1 . . . . 464 ASN CB . 17820 1 520 . 1 1 140 140 ASN N N 15 120.334 0.3 . 1 . . . . 464 ASN N . 17820 1 521 . 1 1 141 141 ASN H H 1 6.829 0.020 . 1 . . . . 465 ASN H . 17820 1 522 . 1 1 141 141 ASN C C 13 173.433 0.3 . 1 . . . . 465 ASN C . 17820 1 523 . 1 1 141 141 ASN CA C 13 48.151 0.3 . 1 . . . . 465 ASN CA . 17820 1 524 . 1 1 141 141 ASN CB C 13 38.768 0.3 . 1 . . . . 465 ASN CB . 17820 1 525 . 1 1 141 141 ASN N N 15 116.520 0.3 . 1 . . . . 465 ASN N . 17820 1 526 . 1 1 142 142 PRO C C 13 177.210 0.3 . 1 . . . . 466 PRO C . 17820 1 527 . 1 1 142 142 PRO CA C 13 63.530 0.3 . 1 . . . . 466 PRO CA . 17820 1 528 . 1 1 142 142 PRO CB C 13 29.730 0.3 . 1 . . . . 466 PRO CB . 17820 1 529 . 1 1 143 143 ASP H H 1 7.398 0.020 . 1 . . . . 467 ASP H . 17820 1 530 . 1 1 143 143 ASP C C 13 176.822 0.3 . 1 . . . . 467 ASP C . 17820 1 531 . 1 1 143 143 ASP CA C 13 55.027 0.3 . 1 . . . . 467 ASP CA . 17820 1 532 . 1 1 143 143 ASP CB C 13 38.848 0.3 . 1 . . . . 467 ASP CB . 17820 1 533 . 1 1 143 143 ASP N N 15 113.657 0.3 . 1 . . . . 467 ASP N . 17820 1 534 . 1 1 144 144 ASP H H 1 7.754 0.020 . 1 . . . . 468 ASP H . 17820 1 535 . 1 1 144 144 ASP C C 13 174.991 0.3 . 1 . . . . 468 ASP C . 17820 1 536 . 1 1 144 144 ASP CA C 13 54.605 0.3 . 1 . . . . 468 ASP CA . 17820 1 537 . 1 1 144 144 ASP CB C 13 38.790 0.3 . 1 . . . . 468 ASP CB . 17820 1 538 . 1 1 144 144 ASP N N 15 118.575 0.3 . 1 . . . . 468 ASP N . 17820 1 539 . 1 1 145 145 TYR H H 1 7.584 0.020 . 1 . . . . 469 TYR H . 17820 1 540 . 1 1 145 145 TYR C C 13 176.233 0.3 . 1 . . . . 469 TYR C . 17820 1 541 . 1 1 145 145 TYR CA C 13 55.736 0.3 . 1 . . . . 469 TYR CA . 17820 1 542 . 1 1 145 145 TYR CB C 13 39.410 0.3 . 1 . . . . 469 TYR CB . 17820 1 543 . 1 1 145 145 TYR N N 15 120.381 0.3 . 1 . . . . 469 TYR N . 17820 1 544 . 1 1 146 146 VAL H H 1 8.027 0.020 . 1 . . . . 470 VAL H . 17820 1 545 . 1 1 146 146 VAL C C 13 175.675 0.3 . 1 . . . . 470 VAL C . 17820 1 546 . 1 1 146 146 VAL CA C 13 61.025 0.3 . 1 . . . . 470 VAL CA . 17820 1 547 . 1 1 146 146 VAL CB C 13 31.215 0.3 . 1 . . . . 470 VAL CB . 17820 1 548 . 1 1 146 146 VAL N N 15 119.323 0.3 . 1 . . . . 470 VAL N . 17820 1 549 . 1 1 147 147 ASP H H 1 7.983 0.020 . 1 . . . . 471 ASP H . 17820 1 550 . 1 1 147 147 ASP C C 13 175.256 0.3 . 1 . . . . 471 ASP C . 17820 1 551 . 1 1 147 147 ASP CA C 13 52.250 0.3 . 1 . . . . 471 ASP CA . 17820 1 552 . 1 1 147 147 ASP CB C 13 40.096 0.3 . 1 . . . . 471 ASP CB . 17820 1 553 . 1 1 147 147 ASP N N 15 121.238 0.3 . 1 . . . . 471 ASP N . 17820 1 554 . 1 1 148 148 GLU H H 1 8.557 0.020 . 1 . . . . 472 GLU H . 17820 1 555 . 1 1 148 148 GLU C C 13 177.691 0.3 . 1 . . . . 472 GLU C . 17820 1 556 . 1 1 148 148 GLU CA C 13 59.217 0.3 . 1 . . . . 472 GLU CA . 17820 1 557 . 1 1 148 148 GLU CB C 13 28.253 0.3 . 1 . . . . 472 GLU CB . 17820 1 558 . 1 1 148 148 GLU N N 15 120.187 0.3 . 1 . . . . 472 GLU N . 17820 1 559 . 1 1 149 149 GLU H H 1 8.245 0.020 . 1 . . . . 473 GLU H . 17820 1 560 . 1 1 149 149 GLU C C 13 179.337 0.3 . 1 . . . . 473 GLU C . 17820 1 561 . 1 1 149 149 GLU CA C 13 58.827 0.3 . 1 . . . . 473 GLU CA . 17820 1 562 . 1 1 149 149 GLU N N 15 119.751 0.3 . 1 . . . . 473 GLU N . 17820 1 563 . 1 1 150 150 THR H H 1 8.287 0.020 . 1 . . . . 474 THR H . 17820 1 564 . 1 1 150 150 THR CA C 13 65.806 0.3 . 1 . . . . 474 THR CA . 17820 1 565 . 1 1 150 150 THR CB C 13 66.892 0.3 . 1 . . . . 474 THR CB . 17820 1 566 . 1 1 150 150 THR N N 15 119.380 0.3 . 1 . . . . 474 THR N . 17820 1 567 . 1 1 151 151 TYR H H 1 8.871 0.020 . 1 . . . . 475 TYR H . 17820 1 568 . 1 1 151 151 TYR C C 13 178.015 0.3 . 1 . . . . 475 TYR C . 17820 1 569 . 1 1 151 151 TYR CA C 13 61.067 0.3 . 1 . . . . 475 TYR CA . 17820 1 570 . 1 1 151 151 TYR CB C 13 37.655 0.3 . 1 . . . . 475 TYR CB . 17820 1 571 . 1 1 151 151 TYR N N 15 124.428 0.3 . 1 . . . . 475 TYR N . 17820 1 572 . 1 1 152 152 ASN H H 1 8.394 0.020 . 1 . . . . 476 ASN H . 17820 1 573 . 1 1 152 152 ASN CA C 13 55.180 0.3 . 1 . . . . 476 ASN CA . 17820 1 574 . 1 1 152 152 ASN CB C 13 37.225 0.3 . 1 . . . . 476 ASN CB . 17820 1 575 . 1 1 152 152 ASN N N 15 117.781 0.3 . 1 . . . . 476 ASN N . 17820 1 576 . 1 1 153 153 LEU H H 1 8.073 0.020 . 1 . . . . 477 LEU H . 17820 1 577 . 1 1 153 153 LEU CA C 13 57.365 0.3 . 1 . . . . 477 LEU CA . 17820 1 578 . 1 1 153 153 LEU CB C 13 40.098 0.3 . 1 . . . . 477 LEU CB . 17820 1 579 . 1 1 153 153 LEU N N 15 123.559 0.3 . 1 . . . . 477 LEU N . 17820 1 580 . 1 1 154 154 GLN H H 1 8.244 0.020 . 1 . . . . 478 GLN H . 17820 1 581 . 1 1 154 154 GLN C C 13 179.540 0.3 . 1 . . . . 478 GLN C . 17820 1 582 . 1 1 154 154 GLN CA C 13 58.101 0.3 . 1 . . . . 478 GLN CA . 17820 1 583 . 1 1 154 154 GLN CB C 13 26.215 0.3 . 1 . . . . 478 GLN CB . 17820 1 584 . 1 1 154 154 GLN N N 15 116.763 0.3 . 1 . . . . 478 GLN N . 17820 1 585 . 1 1 155 155 LYS H H 1 7.365 0.020 . 1 . . . . 479 LYS H . 17820 1 586 . 1 1 155 155 LYS C C 13 179.940 0.3 . 1 . . . . 479 LYS C . 17820 1 587 . 1 1 155 155 LYS CA C 13 57.955 0.3 . 1 . . . . 479 LYS CA . 17820 1 588 . 1 1 155 155 LYS CB C 13 30.560 0.3 . 1 . . . . 479 LYS CB . 17820 1 589 . 1 1 155 155 LYS N N 15 118.566 0.3 . 1 . . . . 479 LYS N . 17820 1 590 . 1 1 156 156 LEU H H 1 7.671 0.020 . 1 . . . . 480 LEU H . 17820 1 591 . 1 1 156 156 LEU C C 13 178.868 0.3 . 1 . . . . 480 LEU C . 17820 1 592 . 1 1 156 156 LEU CA C 13 56.382 0.3 . 1 . . . . 480 LEU CA . 17820 1 593 . 1 1 156 156 LEU CB C 13 40.910 0.3 . 1 . . . . 480 LEU CB . 17820 1 594 . 1 1 156 156 LEU N N 15 121.238 0.3 . 1 . . . . 480 LEU N . 17820 1 595 . 1 1 157 157 LEU H H 1 7.682 0.020 . 1 . . . . 481 LEU H . 17820 1 596 . 1 1 157 157 LEU C C 13 176.263 0.3 . 1 . . . . 481 LEU C . 17820 1 597 . 1 1 157 157 LEU CA C 13 53.991 0.3 . 1 . . . . 481 LEU CA . 17820 1 598 . 1 1 157 157 LEU CB C 13 41.651 0.3 . 1 . . . . 481 LEU CB . 17820 1 599 . 1 1 157 157 LEU N N 15 115.346 0.3 . 1 . . . . 481 LEU N . 17820 1 600 . 1 1 158 158 ALA H H 1 7.049 0.020 . 1 . . . . 482 ALA H . 17820 1 601 . 1 1 158 158 ALA C C 13 176.797 0.3 . 1 . . . . 482 ALA C . 17820 1 602 . 1 1 158 158 ALA CA C 13 56.271 0.3 . 1 . . . . 482 ALA CA . 17820 1 603 . 1 1 158 158 ALA CB C 13 14.471 0.3 . 1 . . . . 482 ALA CB . 17820 1 604 . 1 1 158 158 ALA N N 15 122.527 0.3 . 1 . . . . 482 ALA N . 17820 1 605 . 1 1 159 159 PRO C C 13 180.400 0.3 . 1 . . . . 483 PRO C . 17820 1 606 . 1 1 159 159 PRO CA C 13 65.700 0.3 . 1 . . . . 483 PRO CA . 17820 1 607 . 1 1 159 159 PRO CB C 13 29.370 0.3 . 1 . . . . 483 PRO CB . 17820 1 608 . 1 1 160 160 TYR H H 1 8.217 0.020 . 1 . . . . 484 TYR H . 17820 1 609 . 1 1 160 160 TYR CA C 13 59.833 0.3 . 1 . . . . 484 TYR CA . 17820 1 610 . 1 1 160 160 TYR CB C 13 36.973 0.3 . 1 . . . . 484 TYR CB . 17820 1 611 . 1 1 160 160 TYR N N 15 120.099 0.3 . 1 . . . . 484 TYR N . 17820 1 612 . 1 1 161 161 HIS H H 1 8.341 0.020 . 1 . . . . 485 HIS H . 17820 1 613 . 1 1 161 161 HIS C C 13 176.443 0.3 . 1 . . . . 485 HIS C . 17820 1 614 . 1 1 161 161 HIS CA C 13 56.614 0.3 . 1 . . . . 485 HIS CA . 17820 1 615 . 1 1 161 161 HIS CB C 13 28.230 0.3 . 1 . . . . 485 HIS CB . 17820 1 616 . 1 1 161 161 HIS N N 15 118.382 0.3 . 1 . . . . 485 HIS N . 17820 1 617 . 1 1 162 162 LYS H H 1 7.616 0.020 . 1 . . . . 486 LYS H . 17820 1 618 . 1 1 162 162 LYS C C 13 176.042 0.3 . 1 . . . . 486 LYS C . 17820 1 619 . 1 1 162 162 LYS CA C 13 55.730 0.3 . 1 . . . . 486 LYS CA . 17820 1 620 . 1 1 162 162 LYS CB C 13 31.696 0.3 . 1 . . . . 486 LYS CB . 17820 1 621 . 1 1 162 162 LYS N N 15 117.770 0.3 . 1 . . . . 486 LYS N . 17820 1 622 . 1 1 163 163 ALA H H 1 7.154 0.020 . 1 . . . . 487 ALA H . 17820 1 623 . 1 1 163 163 ALA C C 13 178.123 0.3 . 1 . . . . 487 ALA C . 17820 1 624 . 1 1 163 163 ALA CA C 13 52.154 0.3 . 1 . . . . 487 ALA CA . 17820 1 625 . 1 1 163 163 ALA CB C 13 17.772 0.3 . 1 . . . . 487 ALA CB . 17820 1 626 . 1 1 163 163 ALA N N 15 123.251 0.3 . 1 . . . . 487 ALA N . 17820 1 627 . 1 1 164 164 LYS H H 1 8.769 0.020 . 1 . . . . 488 LYS H . 17820 1 628 . 1 1 164 164 LYS C C 13 176.611 0.3 . 1 . . . . 488 LYS C . 17820 1 629 . 1 1 164 164 LYS CB C 13 32.949 0.3 . 1 . . . . 488 LYS CB . 17820 1 630 . 1 1 164 164 LYS N N 15 122.719 0.3 . 1 . . . . 488 LYS N . 17820 1 631 . 1 1 165 165 THR H H 1 7.186 0.020 . 1 . . . . 489 THR H . 17820 1 632 . 1 1 165 165 THR C C 13 174.787 0.3 . 1 . . . . 489 THR C . 17820 1 633 . 1 1 165 165 THR CA C 13 58.008 0.3 . 1 . . . . 489 THR CA . 17820 1 634 . 1 1 165 165 THR CB C 13 69.522 0.3 . 1 . . . . 489 THR CB . 17820 1 635 . 1 1 165 165 THR N N 15 106.659 0.3 . 1 . . . . 489 THR N . 17820 1 636 . 1 1 166 166 LEU H H 1 9.595 0.020 . 1 . . . . 490 LEU H . 17820 1 637 . 1 1 166 166 LEU C C 13 179.057 0.3 . 1 . . . . 490 LEU C . 17820 1 638 . 1 1 166 166 LEU CA C 13 57.589 0.3 . 1 . . . . 490 LEU CA . 17820 1 639 . 1 1 166 166 LEU CB C 13 41.569 0.3 . 1 . . . . 490 LEU CB . 17820 1 640 . 1 1 166 166 LEU N N 15 125.864 0.3 . 1 . . . . 490 LEU N . 17820 1 641 . 1 1 167 167 GLU H H 1 10.087 0.020 . 1 . . . . 491 GLU H . 17820 1 642 . 1 1 167 167 GLU C C 13 179.715 0.3 . 1 . . . . 491 GLU C . 17820 1 643 . 1 1 167 167 GLU CA C 13 61.016 0.3 . 1 . . . . 491 GLU CA . 17820 1 644 . 1 1 167 167 GLU CB C 13 27.578 0.3 . 1 . . . . 491 GLU CB . 17820 1 645 . 1 1 167 167 GLU N N 15 120.255 0.3 . 1 . . . . 491 GLU N . 17820 1 646 . 1 1 168 168 ARG H H 1 8.027 0.020 . 1 . . . . 492 ARG H . 17820 1 647 . 1 1 168 168 ARG C C 13 178.617 0.3 . 1 . . . . 492 ARG C . 17820 1 648 . 1 1 168 168 ARG CA C 13 55.832 0.3 . 1 . . . . 492 ARG CA . 17820 1 649 . 1 1 168 168 ARG CB C 13 28.297 0.3 . 1 . . . . 492 ARG CB . 17820 1 650 . 1 1 168 168 ARG N N 15 120.413 0.3 . 1 . . . . 492 ARG N . 17820 1 651 . 1 1 169 169 GLN H H 1 8.395 0.020 . 1 . . . . 493 GLN H . 17820 1 652 . 1 1 169 169 GLN C C 13 178.422 0.3 . 1 . . . . 493 GLN C . 17820 1 653 . 1 1 169 169 GLN CA C 13 60.316 0.3 . 1 . . . . 493 GLN CA . 17820 1 654 . 1 1 169 169 GLN CB C 13 27.737 0.3 . 1 . . . . 493 GLN CB . 17820 1 655 . 1 1 169 169 GLN N N 15 121.644 0.3 . 1 . . . . 493 GLN N . 17820 1 656 . 1 1 170 170 VAL H H 1 8.481 0.020 . 1 . . . . 494 VAL H . 17820 1 657 . 1 1 170 170 VAL C C 13 176.766 0.3 . 1 . . . . 494 VAL C . 17820 1 658 . 1 1 170 170 VAL CA C 13 67.022 0.3 . 1 . . . . 494 VAL CA . 17820 1 659 . 1 1 170 170 VAL CB C 13 30.063 0.3 . 1 . . . . 494 VAL CB . 17820 1 660 . 1 1 170 170 VAL N N 15 118.842 0.3 . 1 . . . . 494 VAL N . 17820 1 661 . 1 1 171 171 TYR H H 1 7.459 0.020 . 1 . . . . 495 TYR H . 17820 1 662 . 1 1 171 171 TYR C C 13 178.301 0.3 . 1 . . . . 495 TYR C . 17820 1 663 . 1 1 171 171 TYR CA C 13 60.477 0.3 . 1 . . . . 495 TYR CA . 17820 1 664 . 1 1 171 171 TYR CB C 13 37.349 0.3 . 1 . . . . 495 TYR CB . 17820 1 665 . 1 1 171 171 TYR N N 15 119.815 0.3 . 1 . . . . 495 TYR N . 17820 1 666 . 1 1 172 172 GLU H H 1 8.741 0.020 . 1 . . . . 496 GLU H . 17820 1 667 . 1 1 172 172 GLU C C 13 181.308 0.3 . 1 . . . . 496 GLU C . 17820 1 668 . 1 1 172 172 GLU CA C 13 56.469 0.3 . 1 . . . . 496 GLU CA . 17820 1 669 . 1 1 172 172 GLU CB C 13 27.653 0.3 . 1 . . . . 496 GLU CB . 17820 1 670 . 1 1 172 172 GLU N N 15 116.104 0.3 . 1 . . . . 496 GLU N . 17820 1 671 . 1 1 173 173 LEU H H 1 8.672 0.020 . 1 . . . . 497 LEU H . 17820 1 672 . 1 1 173 173 LEU C C 13 180.159 0.3 . 1 . . . . 497 LEU C . 17820 1 673 . 1 1 173 173 LEU CA C 13 56.950 0.3 . 1 . . . . 497 LEU CA . 17820 1 674 . 1 1 173 173 LEU CB C 13 42.222 0.3 . 1 . . . . 497 LEU CB . 17820 1 675 . 1 1 173 173 LEU N N 15 121.933 0.3 . 1 . . . . 497 LEU N . 17820 1 676 . 1 1 174 174 GLU H H 1 8.720 0.020 . 1 . . . . 498 GLU H . 17820 1 677 . 1 1 174 174 GLU CA C 13 59.209 0.3 . 1 . . . . 498 GLU CA . 17820 1 678 . 1 1 174 174 GLU CB C 13 28.016 0.3 . 1 . . . . 498 GLU CB . 17820 1 679 . 1 1 174 174 GLU N N 15 123.082 0.3 . 1 . . . . 498 GLU N . 17820 1 680 . 1 1 175 175 LYS H H 1 7.404 0.020 . 1 . . . . 499 LYS H . 17820 1 681 . 1 1 175 175 LYS C C 13 179.182 0.3 . 1 . . . . 499 LYS C . 17820 1 682 . 1 1 175 175 LYS CA C 13 57.474 0.3 . 1 . . . . 499 LYS CA . 17820 1 683 . 1 1 175 175 LYS CB C 13 30.629 0.3 . 1 . . . . 499 LYS CB . 17820 1 684 . 1 1 175 175 LYS N N 15 118.935 0.3 . 1 . . . . 499 LYS N . 17820 1 685 . 1 1 176 176 LEU H H 1 7.553 0.020 . 1 . . . . 500 LEU H . 17820 1 686 . 1 1 176 176 LEU C C 13 178.560 0.3 . 1 . . . . 500 LEU C . 17820 1 687 . 1 1 176 176 LEU CA C 13 56.190 0.3 . 1 . . . . 500 LEU CA . 17820 1 688 . 1 1 176 176 LEU CB C 13 41.020 0.3 . 1 . . . . 500 LEU CB . 17820 1 689 . 1 1 176 176 LEU N N 15 117.881 0.3 . 1 . . . . 500 LEU N . 17820 1 690 . 1 1 177 177 GLN H H 1 7.070 0.020 . 1 . . . . 501 GLN H . 17820 1 691 . 1 1 177 177 GLN C C 13 177.069 0.3 . 1 . . . . 501 GLN C . 17820 1 692 . 1 1 177 177 GLN CA C 13 58.070 0.3 . 1 . . . . 501 GLN CA . 17820 1 693 . 1 1 177 177 GLN CB C 13 27.649 0.3 . 1 . . . . 501 GLN CB . 17820 1 694 . 1 1 177 177 GLN N N 15 115.552 0.3 . 1 . . . . 501 GLN N . 17820 1 695 . 1 1 178 178 GLU H H 1 7.538 0.020 . 1 . . . . 502 GLU H . 17820 1 696 . 1 1 178 178 GLU C C 13 177.195 0.3 . 1 . . . . 502 GLU C . 17820 1 697 . 1 1 178 178 GLU CA C 13 56.322 0.3 . 1 . . . . 502 GLU CA . 17820 1 698 . 1 1 178 178 GLU CB C 13 28.737 0.3 . 1 . . . . 502 GLU CB . 17820 1 699 . 1 1 178 178 GLU N N 15 113.549 0.3 . 1 . . . . 502 GLU N . 17820 1 700 . 1 1 179 179 LYS H H 1 7.287 0.020 . 1 . . . . 503 LYS H . 17820 1 701 . 1 1 179 179 LYS C C 13 176.618 0.3 . 1 . . . . 503 LYS C . 17820 1 702 . 1 1 179 179 LYS CA C 13 55.199 0.3 . 1 . . . . 503 LYS CA . 17820 1 703 . 1 1 179 179 LYS CB C 13 33.945 0.3 . 1 . . . . 503 LYS CB . 17820 1 704 . 1 1 179 179 LYS N N 15 116.605 0.3 . 1 . . . . 503 LYS N . 17820 1 705 . 1 1 180 180 LEU H H 1 7.270 0.020 . 1 . . . . 504 LEU H . 17820 1 706 . 1 1 180 180 LEU C C 13 174.613 0.3 . 1 . . . . 504 LEU C . 17820 1 707 . 1 1 180 180 LEU CA C 13 52.798 0.3 . 1 . . . . 504 LEU CA . 17820 1 708 . 1 1 180 180 LEU CB C 13 41.683 0.3 . 1 . . . . 504 LEU CB . 17820 1 709 . 1 1 180 180 LEU N N 15 119.697 0.3 . 1 . . . . 504 LEU N . 17820 1 710 . 1 1 181 181 PRO C C 13 177.520 0.3 . 1 . . . . 505 PRO C . 17820 1 711 . 1 1 181 181 PRO CA C 13 61.630 0.3 . 1 . . . . 505 PRO CA . 17820 1 712 . 1 1 181 181 PRO CB C 13 30.730 0.3 . 1 . . . . 505 PRO CB . 17820 1 713 . 1 1 182 182 GLU H H 1 8.550 0.020 . 1 . . . . 506 GLU H . 17820 1 714 . 1 1 182 182 GLU C C 13 178.486 0.3 . 1 . . . . 506 GLU C . 17820 1 715 . 1 1 182 182 GLU CA C 13 59.279 0.3 . 1 . . . . 506 GLU CA . 17820 1 716 . 1 1 182 182 GLU CB C 13 28.234 0.3 . 1 . . . . 506 GLU CB . 17820 1 717 . 1 1 182 182 GLU N N 15 123.679 0.3 . 1 . . . . 506 GLU N . 17820 1 718 . 1 1 183 183 LYS H H 1 8.416 0.020 . 1 . . . . 507 LYS H . 17820 1 719 . 1 1 183 183 LYS C C 13 176.698 0.3 . 1 . . . . 507 LYS C . 17820 1 720 . 1 1 183 183 LYS CA C 13 57.727 0.3 . 1 . . . . 507 LYS CA . 17820 1 721 . 1 1 183 183 LYS CB C 13 30.562 0.3 . 1 . . . . 507 LYS CB . 17820 1 722 . 1 1 183 183 LYS N N 15 115.996 0.3 . 1 . . . . 507 LYS N . 17820 1 723 . 1 1 184 184 TYR H H 1 7.588 0.020 . 1 . . . . 508 TYR H . 17820 1 724 . 1 1 184 184 TYR C C 13 176.024 0.3 . 1 . . . . 508 TYR C . 17820 1 725 . 1 1 184 184 TYR CA C 13 57.513 0.3 . 1 . . . . 508 TYR CA . 17820 1 726 . 1 1 184 184 TYR CB C 13 39.996 0.3 . 1 . . . . 508 TYR CB . 17820 1 727 . 1 1 184 184 TYR N N 15 116.126 0.3 . 1 . . . . 508 TYR N . 17820 1 728 . 1 1 185 185 LYS H H 1 7.489 0.020 . 1 . . . . 509 LYS H . 17820 1 729 . 1 1 185 185 LYS C C 13 178.986 0.3 . 1 . . . . 509 LYS C . 17820 1 730 . 1 1 185 185 LYS CA C 13 60.470 0.3 . 1 . . . . 509 LYS CA . 17820 1 731 . 1 1 185 185 LYS CB C 13 31.751 0.3 . 1 . . . . 509 LYS CB . 17820 1 732 . 1 1 185 185 LYS N N 15 120.072 0.3 . 1 . . . . 509 LYS N . 17820 1 733 . 1 1 186 186 ALA H H 1 8.752 0.020 . 1 . . . . 510 ALA H . 17820 1 734 . 1 1 186 186 ALA C C 13 181.092 0.3 . 1 . . . . 510 ALA C . 17820 1 735 . 1 1 186 186 ALA CA C 13 55.067 0.3 . 1 . . . . 510 ALA CA . 17820 1 736 . 1 1 186 186 ALA CB C 13 16.280 0.3 . 1 . . . . 510 ALA CB . 17820 1 737 . 1 1 186 186 ALA N N 15 121.984 0.3 . 1 . . . . 510 ALA N . 17820 1 738 . 1 1 187 187 GLU H H 1 8.438 0.020 . 1 . . . . 511 GLU H . 17820 1 739 . 1 1 187 187 GLU C C 13 179.226 0.3 . 1 . . . . 511 GLU C . 17820 1 740 . 1 1 187 187 GLU CA C 13 58.095 0.3 . 1 . . . . 511 GLU CA . 17820 1 741 . 1 1 187 187 GLU CB C 13 27.755 0.3 . 1 . . . . 511 GLU CB . 17820 1 742 . 1 1 187 187 GLU N N 15 120.491 0.3 . 1 . . . . 511 GLU N . 17820 1 743 . 1 1 188 188 TYR H H 1 7.514 0.020 . 1 . . . . 512 TYR H . 17820 1 744 . 1 1 188 188 TYR C C 13 178.269 0.3 . 1 . . . . 512 TYR C . 17820 1 745 . 1 1 188 188 TYR CA C 13 62.063 0.3 . 1 . . . . 512 TYR CA . 17820 1 746 . 1 1 188 188 TYR CB C 13 36.792 0.3 . 1 . . . . 512 TYR CB . 17820 1 747 . 1 1 188 188 TYR N N 15 117.333 0.3 . 1 . . . . 512 TYR N . 17820 1 748 . 1 1 189 189 LYS H H 1 8.586 0.020 . 1 . . . . 513 LYS H . 17820 1 749 . 1 1 189 189 LYS C C 13 178.002 0.3 . 1 . . . . 513 LYS C . 17820 1 750 . 1 1 189 189 LYS CA C 13 58.620 0.3 . 1 . . . . 513 LYS CA . 17820 1 751 . 1 1 189 189 LYS CB C 13 30.404 0.3 . 1 . . . . 513 LYS CB . 17820 1 752 . 1 1 189 189 LYS N N 15 128.478 0.3 . 1 . . . . 513 LYS N . 17820 1 753 . 1 1 190 190 LYS H H 1 7.487 0.020 . 1 . . . . 514 LYS H . 17820 1 754 . 1 1 190 190 LYS C C 13 179.435 0.3 . 1 . . . . 514 LYS C . 17820 1 755 . 1 1 190 190 LYS CA C 13 58.708 0.3 . 1 . . . . 514 LYS CA . 17820 1 756 . 1 1 190 190 LYS CB C 13 30.064 0.3 . 1 . . . . 514 LYS CB . 17820 1 757 . 1 1 190 190 LYS N N 15 120.354 0.3 . 1 . . . . 514 LYS N . 17820 1 758 . 1 1 191 191 LYS H H 1 7.356 0.020 . 1 . . . . 515 LYS H . 17820 1 759 . 1 1 191 191 LYS C C 13 179.809 0.3 . 1 . . . . 515 LYS C . 17820 1 760 . 1 1 191 191 LYS CA C 13 58.077 0.3 . 1 . . . . 515 LYS CA . 17820 1 761 . 1 1 191 191 LYS CB C 13 30.629 0.3 . 1 . . . . 515 LYS CB . 17820 1 762 . 1 1 191 191 LYS N N 15 117.907 0.3 . 1 . . . . 515 LYS N . 17820 1 763 . 1 1 192 192 LEU H H 1 7.956 0.020 . 1 . . . . 516 LEU H . 17820 1 764 . 1 1 192 192 LEU C C 13 176.842 0.3 . 1 . . . . 516 LEU C . 17820 1 765 . 1 1 192 192 LEU CA C 13 57.958 0.3 . 1 . . . . 516 LEU CA . 17820 1 766 . 1 1 192 192 LEU CB C 13 39.378 0.3 . 1 . . . . 516 LEU CB . 17820 1 767 . 1 1 192 192 LEU N N 15 125.262 0.3 . 1 . . . . 516 LEU N . 17820 1 768 . 1 1 193 193 ASP H H 1 8.401 0.020 . 1 . . . . 517 ASP H . 17820 1 769 . 1 1 193 193 ASP C C 13 179.399 0.3 . 1 . . . . 517 ASP C . 17820 1 770 . 1 1 193 193 ASP CA C 13 57.226 0.3 . 1 . . . . 517 ASP CA . 17820 1 771 . 1 1 193 193 ASP CB C 13 38.792 0.3 . 1 . . . . 517 ASP CB . 17820 1 772 . 1 1 193 193 ASP N N 15 121.277 0.3 . 1 . . . . 517 ASP N . 17820 1 773 . 1 1 194 194 GLN H H 1 8.193 0.020 . 1 . . . . 518 GLN H . 17820 1 774 . 1 1 194 194 GLN C C 13 178.838 0.3 . 1 . . . . 518 GLN C . 17820 1 775 . 1 1 194 194 GLN CA C 13 57.663 0.3 . 1 . . . . 518 GLN CA . 17820 1 776 . 1 1 194 194 GLN CB C 13 27.118 0.3 . 1 . . . . 518 GLN CB . 17820 1 777 . 1 1 194 194 GLN N N 15 118.658 0.3 . 1 . . . . 518 GLN N . 17820 1 778 . 1 1 195 195 THR H H 1 8.334 0.020 . 1 . . . . 519 THR H . 17820 1 779 . 1 1 195 195 THR CA C 13 66.004 0.3 . 1 . . . . 519 THR CA . 17820 1 780 . 1 1 195 195 THR CB C 13 67.440 0.3 . 1 . . . . 519 THR CB . 17820 1 781 . 1 1 195 195 THR N N 15 118.393 0.3 . 1 . . . . 519 THR N . 17820 1 782 . 1 1 196 196 ARG H H 1 8.545 0.020 . 1 . . . . 520 ARG H . 17820 1 783 . 1 1 196 196 ARG C C 13 179.714 0.3 . 1 . . . . 520 ARG C . 17820 1 784 . 1 1 196 196 ARG CA C 13 60.335 0.3 . 1 . . . . 520 ARG CA . 17820 1 785 . 1 1 196 196 ARG CB C 13 28.877 0.3 . 1 . . . . 520 ARG CB . 17820 1 786 . 1 1 196 196 ARG N N 15 121.708 0.3 . 1 . . . . 520 ARG N . 17820 1 787 . 1 1 197 197 VAL H H 1 7.299 0.020 . 1 . . . . 521 VAL H . 17820 1 788 . 1 1 197 197 VAL C C 13 177.799 0.3 . 1 . . . . 521 VAL C . 17820 1 789 . 1 1 197 197 VAL CA C 13 65.656 0.3 . 1 . . . . 521 VAL CA . 17820 1 790 . 1 1 197 197 VAL CB C 13 30.337 0.3 . 1 . . . . 521 VAL CB . 17820 1 791 . 1 1 197 197 VAL N N 15 121.406 0.3 . 1 . . . . 521 VAL N . 17820 1 792 . 1 1 198 198 GLU H H 1 7.723 0.020 . 1 . . . . 522 GLU H . 17820 1 793 . 1 1 198 198 GLU C C 13 180.184 0.3 . 1 . . . . 522 GLU C . 17820 1 794 . 1 1 198 198 GLU CA C 13 58.687 0.3 . 1 . . . . 522 GLU CA . 17820 1 795 . 1 1 198 198 GLU CB C 13 28.302 0.3 . 1 . . . . 522 GLU CB . 17820 1 796 . 1 1 198 198 GLU N N 15 121.318 0.3 . 1 . . . . 522 GLU N . 17820 1 797 . 1 1 199 199 LEU H H 1 8.599 0.020 . 1 . . . . 523 LEU H . 17820 1 798 . 1 1 199 199 LEU C C 13 177.077 0.3 . 1 . . . . 523 LEU C . 17820 1 799 . 1 1 199 199 LEU CA C 13 56.966 0.3 . 1 . . . . 523 LEU CA . 17820 1 800 . 1 1 199 199 LEU CB C 13 39.367 0.3 . 1 . . . . 523 LEU CB . 17820 1 801 . 1 1 199 199 LEU N N 15 121.668 0.3 . 1 . . . . 523 LEU N . 17820 1 802 . 1 1 200 200 ALA H H 1 7.973 0.020 . 1 . . . . 524 ALA H . 17820 1 803 . 1 1 200 200 ALA C C 13 181.090 0.3 . 1 . . . . 524 ALA C . 17820 1 804 . 1 1 200 200 ALA CA C 13 54.360 0.3 . 1 . . . . 524 ALA CA . 17820 1 805 . 1 1 200 200 ALA CB C 13 16.459 0.3 . 1 . . . . 524 ALA CB . 17820 1 806 . 1 1 200 200 ALA N N 15 121.851 0.3 . 1 . . . . 524 ALA N . 17820 1 807 . 1 1 201 201 ASP H H 1 8.160 0.020 . 1 . . . . 525 ASP H . 17820 1 808 . 1 1 201 201 ASP C C 13 178.827 0.3 . 1 . . . . 525 ASP C . 17820 1 809 . 1 1 201 201 ASP CA C 13 56.334 0.3 . 1 . . . . 525 ASP CA . 17820 1 810 . 1 1 201 201 ASP CB C 13 39.848 0.3 . 1 . . . . 525 ASP CB . 17820 1 811 . 1 1 201 201 ASP N N 15 118.620 0.3 . 1 . . . . 525 ASP N . 17820 1 812 . 1 1 202 202 GLN H H 1 8.123 0.020 . 1 . . . . 526 GLN H . 17820 1 813 . 1 1 202 202 GLN C C 13 178.302 0.3 . 1 . . . . 526 GLN C . 17820 1 814 . 1 1 202 202 GLN CA C 13 59.259 0.3 . 1 . . . . 526 GLN CA . 17820 1 815 . 1 1 202 202 GLN CB C 13 29.955 0.3 . 1 . . . . 526 GLN CB . 17820 1 816 . 1 1 202 202 GLN N N 15 124.664 0.3 . 1 . . . . 526 GLN N . 17820 1 817 . 1 1 203 203 VAL H H 1 8.504 0.020 . 1 . . . . 527 VAL H . 17820 1 818 . 1 1 203 203 VAL C C 13 179.133 0.3 . 1 . . . . 527 VAL C . 17820 1 819 . 1 1 203 203 VAL CA C 13 64.813 0.3 . 1 . . . . 527 VAL CA . 17820 1 820 . 1 1 203 203 VAL CB C 13 30.809 0.3 . 1 . . . . 527 VAL CB . 17820 1 821 . 1 1 203 203 VAL N N 15 119.986 0.3 . 1 . . . . 527 VAL N . 17820 1 822 . 1 1 204 204 LYS H H 1 8.157 0.020 . 1 . . . . 528 LYS H . 17820 1 823 . 1 1 204 204 LYS C C 13 180.381 0.3 . 1 . . . . 528 LYS C . 17820 1 824 . 1 1 204 204 LYS CA C 13 58.759 0.3 . 1 . . . . 528 LYS CA . 17820 1 825 . 1 1 204 204 LYS CB C 13 31.168 0.3 . 1 . . . . 528 LYS CB . 17820 1 826 . 1 1 204 204 LYS N N 15 120.875 0.3 . 1 . . . . 528 LYS N . 17820 1 827 . 1 1 205 205 SER H H 1 8.216 0.020 . 1 . . . . 529 SER H . 17820 1 828 . 1 1 205 205 SER C C 13 175.997 0.3 . 1 . . . . 529 SER C . 17820 1 829 . 1 1 205 205 SER CA C 13 60.366 0.3 . 1 . . . . 529 SER CA . 17820 1 830 . 1 1 205 205 SER CB C 13 61.947 0.3 . 1 . . . . 529 SER CB . 17820 1 831 . 1 1 205 205 SER N N 15 114.653 0.3 . 1 . . . . 529 SER N . 17820 1 832 . 1 1 206 206 ALA H H 1 7.628 0.020 . 1 . . . . 530 ALA H . 17820 1 833 . 1 1 206 206 ALA C C 13 180.190 0.3 . 1 . . . . 530 ALA C . 17820 1 834 . 1 1 206 206 ALA CA C 13 55.133 0.3 . 1 . . . . 530 ALA CA . 17820 1 835 . 1 1 206 206 ALA CB C 13 17.198 0.3 . 1 . . . . 530 ALA CB . 17820 1 836 . 1 1 206 206 ALA N N 15 125.650 0.3 . 1 . . . . 530 ALA N . 17820 1 837 . 1 1 207 207 VAL H H 1 7.342 0.020 . 1 . . . . 531 VAL H . 17820 1 838 . 1 1 207 207 VAL C C 13 177.561 0.3 . 1 . . . . 531 VAL C . 17820 1 839 . 1 1 207 207 VAL CA C 13 66.041 0.3 . 1 . . . . 531 VAL CA . 17820 1 840 . 1 1 207 207 VAL CB C 13 30.568 0.3 . 1 . . . . 531 VAL CB . 17820 1 841 . 1 1 207 207 VAL N N 15 118.943 0.3 . 1 . . . . 531 VAL N . 17820 1 842 . 1 1 208 208 THR H H 1 6.893 0.020 . 1 . . . . 532 THR H . 17820 1 843 . 1 1 208 208 THR C C 13 176.740 0.3 . 1 . . . . 532 THR C . 17820 1 844 . 1 1 208 208 THR CA C 13 62.788 0.3 . 1 . . . . 532 THR CA . 17820 1 845 . 1 1 208 208 THR CB C 13 68.019 0.3 . 1 . . . . 532 THR CB . 17820 1 846 . 1 1 208 208 THR N N 15 108.373 0.3 . 1 . . . . 532 THR N . 17820 1 847 . 1 1 209 209 GLU H H 1 8.506 0.020 . 1 . . . . 533 GLU H . 17820 1 848 . 1 1 209 209 GLU C C 13 176.950 0.3 . 1 . . . . 533 GLU C . 17820 1 849 . 1 1 209 209 GLU CA C 13 56.258 0.3 . 1 . . . . 533 GLU CA . 17820 1 850 . 1 1 209 209 GLU CB C 13 30.624 0.3 . 1 . . . . 533 GLU CB . 17820 1 851 . 1 1 209 209 GLU N N 15 116.387 0.3 . 1 . . . . 533 GLU N . 17820 1 852 . 1 1 210 210 PHE H H 1 8.269 0.020 . 1 . . . . 534 PHE H . 17820 1 853 . 1 1 210 210 PHE C C 13 176.571 0.3 . 1 . . . . 534 PHE C . 17820 1 854 . 1 1 210 210 PHE CA C 13 60.740 0.3 . 1 . . . . 534 PHE CA . 17820 1 855 . 1 1 210 210 PHE CB C 13 41.642 0.3 . 1 . . . . 534 PHE CB . 17820 1 856 . 1 1 210 210 PHE N N 15 119.622 0.3 . 1 . . . . 534 PHE N . 17820 1 857 . 1 1 211 211 GLU H H 1 8.926 0.020 . 1 . . . . 535 GLU H . 17820 1 858 . 1 1 211 211 GLU C C 13 177.257 0.3 . 1 . . . . 535 GLU C . 17820 1 859 . 1 1 211 211 GLU CA C 13 61.043 0.3 . 1 . . . . 535 GLU CA . 17820 1 860 . 1 1 211 211 GLU CB C 13 29.494 0.3 . 1 . . . . 535 GLU CB . 17820 1 861 . 1 1 211 211 GLU N N 15 126.255 0.3 . 1 . . . . 535 GLU N . 17820 1 862 . 1 1 212 212 ASN H H 1 8.492 0.020 . 1 . . . . 536 ASN H . 17820 1 863 . 1 1 212 212 ASN C C 13 174.484 0.3 . 1 . . . . 536 ASN C . 17820 1 864 . 1 1 212 212 ASN CA C 13 51.071 0.3 . 1 . . . . 536 ASN CA . 17820 1 865 . 1 1 212 212 ASN CB C 13 37.572 0.3 . 1 . . . . 536 ASN CB . 17820 1 866 . 1 1 212 212 ASN N N 15 114.770 0.3 . 1 . . . . 536 ASN N . 17820 1 867 . 1 1 213 213 VAL H H 1 5.987 0.020 . 1 . . . . 537 VAL H . 17820 1 868 . 1 1 213 213 VAL CA C 13 60.399 0.3 . 1 . . . . 537 VAL CA . 17820 1 869 . 1 1 213 213 VAL CB C 13 32.290 0.3 . 1 . . . . 537 VAL CB . 17820 1 870 . 1 1 213 213 VAL N N 15 121.127 0.3 . 1 . . . . 537 VAL N . 17820 1 871 . 1 1 214 214 THR H H 1 8.321 0.020 . 1 . . . . 538 THR H . 17820 1 872 . 1 1 214 214 THR C C 13 172.550 0.3 . 1 . . . . 538 THR C . 17820 1 873 . 1 1 214 214 THR CA C 13 59.300 0.3 . 1 . . . . 538 THR CA . 17820 1 874 . 1 1 214 214 THR CB C 13 68.414 0.3 . 1 . . . . 538 THR CB . 17820 1 875 . 1 1 214 214 THR N N 15 125.418 0.3 . 1 . . . . 538 THR N . 17820 1 876 . 1 1 215 215 PRO C C 13 176.110 0.3 . 1 . . . . 539 PRO C . 17820 1 877 . 1 1 215 215 PRO CA C 13 61.000 0.3 . 1 . . . . 539 PRO CA . 17820 1 878 . 1 1 215 215 PRO CB C 13 30.640 0.3 . 1 . . . . 539 PRO CB . 17820 1 879 . 1 1 216 216 THR H H 1 8.375 0.020 . 1 . . . . 540 THR H . 17820 1 880 . 1 1 216 216 THR C C 13 176.517 0.3 . 1 . . . . 540 THR C . 17820 1 881 . 1 1 216 216 THR CA C 13 62.718 0.3 . 1 . . . . 540 THR CA . 17820 1 882 . 1 1 216 216 THR CB C 13 68.074 0.3 . 1 . . . . 540 THR CB . 17820 1 883 . 1 1 216 216 THR N N 15 111.801 0.3 . 1 . . . . 540 THR N . 17820 1 884 . 1 1 217 217 ASN H H 1 8.928 0.020 . 1 . . . . 541 ASN H . 17820 1 885 . 1 1 217 217 ASN C C 13 174.961 0.3 . 1 . . . . 541 ASN C . 17820 1 886 . 1 1 217 217 ASN CA C 13 53.600 0.3 . 1 . . . . 541 ASN CA . 17820 1 887 . 1 1 217 217 ASN CB C 13 36.144 0.3 . 1 . . . . 541 ASN CB . 17820 1 888 . 1 1 217 217 ASN N N 15 116.039 0.3 . 1 . . . . 541 ASN N . 17820 1 889 . 1 1 218 218 ASP H H 1 7.231 0.020 . 1 . . . . 542 ASP H . 17820 1 890 . 1 1 218 218 ASP CA C 13 55.116 0.3 . 1 . . . . 542 ASP CA . 17820 1 891 . 1 1 218 218 ASP CB C 13 42.370 0.3 . 1 . . . . 542 ASP CB . 17820 1 892 . 1 1 218 218 ASP N N 15 117.607 0.3 . 1 . . . . 542 ASP N . 17820 1 893 . 1 1 219 219 GLN H H 1 8.282 0.020 . 1 . . . . 543 GLN H . 17820 1 894 . 1 1 219 219 GLN C C 13 174.600 0.3 . 1 . . . . 543 GLN C . 17820 1 895 . 1 1 219 219 GLN CA C 13 53.790 0.3 . 1 . . . . 543 GLN CA . 17820 1 896 . 1 1 219 219 GLN CB C 13 27.584 0.3 . 1 . . . . 543 GLN CB . 17820 1 897 . 1 1 219 219 GLN N N 15 120.199 0.3 . 1 . . . . 543 GLN N . 17820 1 898 . 1 1 220 220 LEU H H 1 7.939 0.020 . 1 . . . . 544 LEU H . 17820 1 899 . 1 1 220 220 LEU C C 13 176.739 0.3 . 1 . . . . 544 LEU C . 17820 1 900 . 1 1 220 220 LEU CA C 13 53.594 0.3 . 1 . . . . 544 LEU CA . 17820 1 901 . 1 1 220 220 LEU CB C 13 40.605 0.3 . 1 . . . . 544 LEU CB . 17820 1 902 . 1 1 220 220 LEU N N 15 125.396 0.3 . 1 . . . . 544 LEU N . 17820 1 903 . 1 1 221 221 THR H H 1 8.268 0.020 . 1 . . . . 545 THR H . 17820 1 904 . 1 1 221 221 THR C C 13 173.125 0.3 . 1 . . . . 545 THR C . 17820 1 905 . 1 1 221 221 THR CA C 13 59.256 0.3 . 1 . . . . 545 THR CA . 17820 1 906 . 1 1 221 221 THR CB C 13 70.476 0.3 . 1 . . . . 545 THR CB . 17820 1 907 . 1 1 221 221 THR N N 15 113.939 0.3 . 1 . . . . 545 THR N . 17820 1 908 . 1 1 222 222 ASP H H 1 8.565 0.020 . 1 . . . . 546 ASP H . 17820 1 909 . 1 1 222 222 ASP C C 13 174.657 0.3 . 1 . . . . 546 ASP C . 17820 1 910 . 1 1 222 222 ASP CA C 13 53.907 0.3 . 1 . . . . 546 ASP CA . 17820 1 911 . 1 1 222 222 ASP CB C 13 38.186 0.3 . 1 . . . . 546 ASP CB . 17820 1 912 . 1 1 222 222 ASP N N 15 119.789 0.3 . 1 . . . . 546 ASP N . 17820 1 913 . 1 1 223 223 LEU H H 1 7.696 0.020 . 1 . . . . 547 LEU H . 17820 1 914 . 1 1 223 223 LEU C C 13 178.956 0.3 . 1 . . . . 547 LEU C . 17820 1 915 . 1 1 223 223 LEU CA C 13 55.655 0.3 . 1 . . . . 547 LEU CA . 17820 1 916 . 1 1 223 223 LEU CB C 13 40.761 0.3 . 1 . . . . 547 LEU CB . 17820 1 917 . 1 1 223 223 LEU N N 15 119.842 0.3 . 1 . . . . 547 LEU N . 17820 1 918 . 1 1 224 224 GLN H H 1 8.865 0.020 . 1 . . . . 548 GLN H . 17820 1 919 . 1 1 224 224 GLN C C 13 174.912 0.3 . 1 . . . . 548 GLN C . 17820 1 920 . 1 1 224 224 GLN CA C 13 53.416 0.3 . 1 . . . . 548 GLN CA . 17820 1 921 . 1 1 224 224 GLN CB C 13 30.819 0.3 . 1 . . . . 548 GLN CB . 17820 1 922 . 1 1 224 224 GLN N N 15 124.361 0.3 . 1 . . . . 548 GLN N . 17820 1 923 . 1 1 225 225 GLU H H 1 8.831 0.020 . 1 . . . . 549 GLU H . 17820 1 924 . 1 1 225 225 GLU C C 13 174.986 0.3 . 1 . . . . 549 GLU C . 17820 1 925 . 1 1 225 225 GLU CA C 13 57.476 0.3 . 1 . . . . 549 GLU CA . 17820 1 926 . 1 1 225 225 GLU CB C 13 28.862 0.3 . 1 . . . . 549 GLU CB . 17820 1 927 . 1 1 225 225 GLU N N 15 125.696 0.3 . 1 . . . . 549 GLU N . 17820 1 928 . 1 1 226 226 ALA H H 1 8.408 0.020 . 1 . . . . 550 ALA H . 17820 1 929 . 1 1 226 226 ALA C C 13 175.204 0.3 . 1 . . . . 550 ALA C . 17820 1 930 . 1 1 226 226 ALA CA C 13 49.240 0.3 . 1 . . . . 550 ALA CA . 17820 1 931 . 1 1 226 226 ALA CB C 13 21.296 0.3 . 1 . . . . 550 ALA CB . 17820 1 932 . 1 1 226 226 ALA N N 15 129.367 0.3 . 1 . . . . 550 ALA N . 17820 1 933 . 1 1 227 227 HIS H H 1 8.945 0.020 . 1 . . . . 551 HIS H . 17820 1 934 . 1 1 227 227 HIS C C 13 171.507 0.3 . 1 . . . . 551 HIS C . 17820 1 935 . 1 1 227 227 HIS CA C 13 54.548 0.3 . 1 . . . . 551 HIS CA . 17820 1 936 . 1 1 227 227 HIS CB C 13 26.984 0.3 . 1 . . . . 551 HIS CB . 17820 1 937 . 1 1 227 227 HIS N N 15 121.800 0.3 . 1 . . . . 551 HIS N . 17820 1 938 . 1 1 228 228 PHE H H 1 8.024 0.020 . 1 . . . . 552 PHE H . 17820 1 939 . 1 1 228 228 PHE C C 13 175.270 0.3 . 1 . . . . 552 PHE C . 17820 1 940 . 1 1 228 228 PHE CA C 13 54.480 0.3 . 1 . . . . 552 PHE CA . 17820 1 941 . 1 1 228 228 PHE CB C 13 41.747 0.3 . 1 . . . . 552 PHE CB . 17820 1 942 . 1 1 228 228 PHE N N 15 123.843 0.3 . 1 . . . . 552 PHE N . 17820 1 943 . 1 1 229 229 VAL H H 1 8.138 0.020 . 1 . . . . 553 VAL H . 17820 1 944 . 1 1 229 229 VAL C C 13 172.830 0.3 . 1 . . . . 553 VAL C . 17820 1 945 . 1 1 229 229 VAL CA C 13 59.160 0.3 . 1 . . . . 553 VAL CA . 17820 1 946 . 1 1 229 229 VAL CB C 13 34.729 0.3 . 1 . . . . 553 VAL CB . 17820 1 947 . 1 1 229 229 VAL N N 15 116.011 0.3 . 1 . . . . 553 VAL N . 17820 1 948 . 1 1 230 230 VAL H H 1 8.738 0.020 . 1 . . . . 554 VAL H . 17820 1 949 . 1 1 230 230 VAL C C 13 175.471 0.3 . 1 . . . . 554 VAL C . 17820 1 950 . 1 1 230 230 VAL CA C 13 61.462 0.3 . 1 . . . . 554 VAL CA . 17820 1 951 . 1 1 230 230 VAL CB C 13 29.996 0.3 . 1 . . . . 554 VAL CB . 17820 1 952 . 1 1 230 230 VAL N N 15 124.634 0.3 . 1 . . . . 554 VAL N . 17820 1 953 . 1 1 231 231 PHE H H 1 9.683 0.020 . 1 . . . . 555 PHE H . 17820 1 954 . 1 1 231 231 PHE C C 13 176.829 0.3 . 1 . . . . 555 PHE C . 17820 1 955 . 1 1 231 231 PHE CA C 13 53.373 0.3 . 1 . . . . 555 PHE CA . 17820 1 956 . 1 1 231 231 PHE CB C 13 41.016 0.3 . 1 . . . . 555 PHE CB . 17820 1 957 . 1 1 231 231 PHE N N 15 130.166 0.3 . 1 . . . . 555 PHE N . 17820 1 958 . 1 1 232 232 GLU H H 1 7.994 0.020 . 1 . . . . 556 GLU H . 17820 1 959 . 1 1 232 232 GLU C C 13 176.167 0.3 . 1 . . . . 556 GLU C . 17820 1 960 . 1 1 232 232 GLU CA C 13 56.013 0.3 . 1 . . . . 556 GLU CA . 17820 1 961 . 1 1 232 232 GLU CB C 13 29.920 0.3 . 1 . . . . 556 GLU CB . 17820 1 962 . 1 1 232 232 GLU N N 15 117.078 0.3 . 1 . . . . 556 GLU N . 17820 1 963 . 1 1 233 233 SER H H 1 8.358 0.020 . 1 . . . . 557 SER H . 17820 1 964 . 1 1 233 233 SER CA C 13 61.475 0.3 . 1 . . . . 557 SER CA . 17820 1 965 . 1 1 233 233 SER CB C 13 62.804 0.3 . 1 . . . . 557 SER CB . 17820 1 966 . 1 1 233 233 SER N N 15 114.246 0.3 . 1 . . . . 557 SER N . 17820 1 967 . 1 1 234 234 GLU H H 1 8.432 0.020 . 1 . . . . 558 GLU H . 17820 1 968 . 1 1 234 234 GLU C C 13 175.765 0.3 . 1 . . . . 558 GLU C . 17820 1 969 . 1 1 234 234 GLU CA C 13 55.596 0.3 . 1 . . . . 558 GLU CA . 17820 1 970 . 1 1 234 234 GLU CB C 13 30.845 0.3 . 1 . . . . 558 GLU CB . 17820 1 971 . 1 1 234 234 GLU N N 15 112.887 0.3 . 1 . . . . 558 GLU N . 17820 1 972 . 1 1 235 235 GLU H H 1 7.508 0.020 . 1 . . . . 559 GLU H . 17820 1 973 . 1 1 235 235 GLU C C 13 176.300 0.3 . 1 . . . . 559 GLU C . 17820 1 974 . 1 1 235 235 GLU CA C 13 54.393 0.3 . 1 . . . . 559 GLU CA . 17820 1 975 . 1 1 235 235 GLU CB C 13 30.362 0.3 . 1 . . . . 559 GLU CB . 17820 1 976 . 1 1 235 235 GLU N N 15 118.524 0.3 . 1 . . . . 559 GLU N . 17820 1 977 . 1 1 236 236 ASN H H 1 8.674 0.020 . 1 . . . . 560 ASN H . 17820 1 978 . 1 1 236 236 ASN CA C 13 51.008 0.3 . 1 . . . . 560 ASN CA . 17820 1 979 . 1 1 236 236 ASN CB C 13 34.661 0.3 . 1 . . . . 560 ASN CB . 17820 1 980 . 1 1 236 236 ASN N N 15 125.088 0.3 . 1 . . . . 560 ASN N . 17820 1 981 . 1 1 237 237 SER H H 1 7.351 0.020 . 1 . . . . 561 SER H . 17820 1 982 . 1 1 237 237 SER C C 13 172.331 0.3 . 1 . . . . 561 SER C . 17820 1 983 . 1 1 237 237 SER CA C 13 55.715 0.3 . 1 . . . . 561 SER CA . 17820 1 984 . 1 1 237 237 SER CB C 13 64.500 0.3 . 1 . . . . 561 SER CB . 17820 1 985 . 1 1 237 237 SER N N 15 116.434 0.3 . 1 . . . . 561 SER N . 17820 1 986 . 1 1 238 238 GLU H H 1 9.037 0.020 . 1 . . . . 562 GLU H . 17820 1 987 . 1 1 238 238 GLU C C 13 177.065 0.3 . 1 . . . . 562 GLU C . 17820 1 988 . 1 1 238 238 GLU CA C 13 58.112 0.3 . 1 . . . . 562 GLU CA . 17820 1 989 . 1 1 238 238 GLU CB C 13 27.744 0.3 . 1 . . . . 562 GLU CB . 17820 1 990 . 1 1 238 238 GLU N N 15 123.579 0.3 . 1 . . . . 562 GLU N . 17820 1 991 . 1 1 239 239 SER H H 1 8.693 0.020 . 1 . . . . 563 SER H . 17820 1 992 . 1 1 239 239 SER C C 13 177.863 0.3 . 1 . . . . 563 SER C . 17820 1 993 . 1 1 239 239 SER CA C 13 56.305 0.3 . 1 . . . . 563 SER CA . 17820 1 994 . 1 1 239 239 SER CB C 13 62.400 0.3 . 1 . . . . 563 SER CB . 17820 1 995 . 1 1 239 239 SER N N 15 117.139 0.3 . 1 . . . . 563 SER N . 17820 1 996 . 1 1 240 240 VAL H H 1 8.689 0.020 . 1 . . . . 564 VAL H . 17820 1 997 . 1 1 240 240 VAL C C 13 178.013 0.3 . 1 . . . . 564 VAL C . 17820 1 998 . 1 1 240 240 VAL CA C 13 64.465 0.3 . 1 . . . . 564 VAL CA . 17820 1 999 . 1 1 240 240 VAL CB C 13 29.994 0.3 . 1 . . . . 564 VAL CB . 17820 1 1000 . 1 1 240 240 VAL N N 15 131.131 0.3 . 1 . . . . 564 VAL N . 17820 1 1001 . 1 1 241 241 MET H H 1 8.345 0.020 . 1 . . . . 565 MET H . 17820 1 1002 . 1 1 241 241 MET C C 13 178.908 0.3 . 1 . . . . 565 MET C . 17820 1 1003 . 1 1 241 241 MET CA C 13 54.708 0.3 . 1 . . . . 565 MET CA . 17820 1 1004 . 1 1 241 241 MET CB C 13 29.462 0.3 . 1 . . . . 565 MET CB . 17820 1 1005 . 1 1 241 241 MET N N 15 117.521 0.3 . 1 . . . . 565 MET N . 17820 1 1006 . 1 1 242 242 ASP H H 1 8.071 0.020 . 1 . . . . 566 ASP H . 17820 1 1007 . 1 1 242 242 ASP CA C 13 57.520 0.3 . 1 . . . . 566 ASP CA . 17820 1 1008 . 1 1 242 242 ASP CB C 13 41.738 0.3 . 1 . . . . 566 ASP CB . 17820 1 1009 . 1 1 242 242 ASP N N 15 120.306 0.3 . 1 . . . . 566 ASP N . 17820 1 1010 . 1 1 243 243 GLY H H 1 7.493 0.020 . 1 . . . . 567 GLY H . 17820 1 1011 . 1 1 243 243 GLY C C 13 174.293 0.3 . 1 . . . . 567 GLY C . 17820 1 1012 . 1 1 243 243 GLY CA C 13 44.669 0.3 . 1 . . . . 567 GLY CA . 17820 1 1013 . 1 1 243 243 GLY N N 15 101.677 0.3 . 1 . . . . 567 GLY N . 17820 1 1014 . 1 1 244 244 PHE H H 1 7.834 0.020 . 1 . . . . 568 PHE H . 17820 1 1015 . 1 1 244 244 PHE C C 13 173.297 0.3 . 1 . . . . 568 PHE C . 17820 1 1016 . 1 1 244 244 PHE CA C 13 57.611 0.3 . 1 . . . . 568 PHE CA . 17820 1 1017 . 1 1 244 244 PHE CB C 13 38.294 0.3 . 1 . . . . 568 PHE CB . 17820 1 1018 . 1 1 244 244 PHE N N 15 118.618 0.3 . 1 . . . . 568 PHE N . 17820 1 1019 . 1 1 245 245 VAL H H 1 7.349 0.020 . 1 . . . . 569 VAL H . 17820 1 1020 . 1 1 245 245 VAL C C 13 174.684 0.3 . 1 . . . . 569 VAL C . 17820 1 1021 . 1 1 245 245 VAL CA C 13 58.599 0.3 . 1 . . . . 569 VAL CA . 17820 1 1022 . 1 1 245 245 VAL CB C 13 33.547 0.3 . 1 . . . . 569 VAL CB . 17820 1 1023 . 1 1 245 245 VAL N N 15 114.284 0.3 . 1 . . . . 569 VAL N . 17820 1 1024 . 1 1 246 246 GLU H H 1 8.124 0.020 . 1 . . . . 570 GLU H . 17820 1 1025 . 1 1 246 246 GLU C C 13 175.914 0.3 . 1 . . . . 570 GLU C . 17820 1 1026 . 1 1 246 246 GLU CA C 13 55.024 0.3 . 1 . . . . 570 GLU CA . 17820 1 1027 . 1 1 246 246 GLU CB C 13 28.925 0.3 . 1 . . . . 570 GLU CB . 17820 1 1028 . 1 1 246 246 GLU N N 15 121.915 0.3 . 1 . . . . 570 GLU N . 17820 1 1029 . 1 1 247 247 HIS H H 1 8.310 0.020 . 1 . . . . 571 HIS H . 17820 1 1030 . 1 1 247 247 HIS C C 13 173.145 0.3 . 1 . . . . 571 HIS C . 17820 1 1031 . 1 1 247 247 HIS CA C 13 53.406 0.3 . 1 . . . . 571 HIS CA . 17820 1 1032 . 1 1 247 247 HIS CB C 13 28.845 0.3 . 1 . . . . 571 HIS CB . 17820 1 1033 . 1 1 247 247 HIS N N 15 118.360 0.3 . 1 . . . . 571 HIS N . 17820 1 1034 . 1 1 248 248 PRO C C 13 176.630 0.3 . 1 . . . . 572 PRO C . 17820 1 1035 . 1 1 248 248 PRO CA C 13 62.140 0.3 . 1 . . . . 572 PRO CA . 17820 1 1036 . 1 1 248 248 PRO CB C 13 33.060 0.3 . 1 . . . . 572 PRO CB . 17820 1 1037 . 1 1 249 249 PHE H H 1 8.164 0.020 . 1 . . . . 573 PHE H . 17820 1 1038 . 1 1 249 249 PHE C C 13 174.013 0.3 . 1 . . . . 573 PHE C . 17820 1 1039 . 1 1 249 249 PHE CA C 13 55.871 0.3 . 1 . . . . 573 PHE CA . 17820 1 1040 . 1 1 249 249 PHE CB C 13 39.006 0.3 . 1 . . . . 573 PHE CB . 17820 1 1041 . 1 1 249 249 PHE N N 15 120.455 0.3 . 1 . . . . 573 PHE N . 17820 1 1042 . 1 1 250 250 TYR H H 1 8.141 0.020 . 1 . . . . 574 TYR H . 17820 1 1043 . 1 1 250 250 TYR C C 13 176.238 0.3 . 1 . . . . 574 TYR C . 17820 1 1044 . 1 1 250 250 TYR CA C 13 56.327 0.3 . 1 . . . . 574 TYR CA . 17820 1 1045 . 1 1 250 250 TYR CB C 13 41.708 0.3 . 1 . . . . 574 TYR CB . 17820 1 1046 . 1 1 250 250 TYR N N 15 115.190 0.3 . 1 . . . . 574 TYR N . 17820 1 1047 . 1 1 251 251 THR H H 1 9.131 0.020 . 1 . . . . 575 THR H . 17820 1 1048 . 1 1 251 251 THR C C 13 173.601 0.3 . 1 . . . . 575 THR C . 17820 1 1049 . 1 1 251 251 THR CA C 13 59.809 0.3 . 1 . . . . 575 THR CA . 17820 1 1050 . 1 1 251 251 THR CB C 13 71.231 0.3 . 1 . . . . 575 THR CB . 17820 1 1051 . 1 1 251 251 THR N N 15 108.904 0.3 . 1 . . . . 575 THR N . 17820 1 1052 . 1 1 252 252 ALA H H 1 8.640 0.020 . 1 . . . . 576 ALA H . 17820 1 1053 . 1 1 252 252 ALA C C 13 175.837 0.3 . 1 . . . . 576 ALA C . 17820 1 1054 . 1 1 252 252 ALA CA C 13 50.478 0.3 . 1 . . . . 576 ALA CA . 17820 1 1055 . 1 1 252 252 ALA CB C 13 23.951 0.3 . 1 . . . . 576 ALA CB . 17820 1 1056 . 1 1 252 252 ALA N N 15 119.707 0.3 . 1 . . . . 576 ALA N . 17820 1 1057 . 1 1 253 253 THR H H 1 8.987 0.020 . 1 . . . . 577 THR H . 17820 1 1058 . 1 1 253 253 THR C C 13 173.597 0.3 . 1 . . . . 577 THR C . 17820 1 1059 . 1 1 253 253 THR CA C 13 60.401 0.3 . 1 . . . . 577 THR CA . 17820 1 1060 . 1 1 253 253 THR CB C 13 69.513 0.3 . 1 . . . . 577 THR CB . 17820 1 1061 . 1 1 253 253 THR N N 15 115.255 0.3 . 1 . . . . 577 THR N . 17820 1 1062 . 1 1 254 254 LEU H H 1 8.957 0.020 . 1 . . . . 578 LEU H . 17820 1 1063 . 1 1 254 254 LEU C C 13 176.525 0.3 . 1 . . . . 578 LEU C . 17820 1 1064 . 1 1 254 254 LEU CA C 13 54.106 0.3 . 1 . . . . 578 LEU CA . 17820 1 1065 . 1 1 254 254 LEU CB C 13 42.867 0.3 . 1 . . . . 578 LEU CB . 17820 1 1066 . 1 1 254 254 LEU N N 15 125.547 0.3 . 1 . . . . 578 LEU N . 17820 1 1067 . 1 1 255 255 ASN H H 1 9.453 0.020 . 1 . . . . 579 ASN H . 17820 1 1068 . 1 1 255 255 ASN C C 13 175.562 0.3 . 1 . . . . 579 ASN C . 17820 1 1069 . 1 1 255 255 ASN CA C 13 53.909 0.3 . 1 . . . . 579 ASN CA . 17820 1 1070 . 1 1 255 255 ASN CB C 13 36.401 0.3 . 1 . . . . 579 ASN CB . 17820 1 1071 . 1 1 255 255 ASN N N 15 127.875 0.3 . 1 . . . . 579 ASN N . 17820 1 1072 . 1 1 256 256 GLY H H 1 8.327 0.020 . 1 . . . . 580 GLY H . 17820 1 1073 . 1 1 256 256 GLY C C 13 173.307 0.3 . 1 . . . . 580 GLY C . 17820 1 1074 . 1 1 256 256 GLY CA C 13 44.625 0.3 . 1 . . . . 580 GLY CA . 17820 1 1075 . 1 1 256 256 GLY N N 15 103.553 0.3 . 1 . . . . 580 GLY N . 17820 1 1076 . 1 1 257 257 GLN H H 1 7.706 0.020 . 1 . . . . 581 GLN H . 17820 1 1077 . 1 1 257 257 GLN C C 13 173.295 0.3 . 1 . . . . 581 GLN C . 17820 1 1078 . 1 1 257 257 GLN CA C 13 52.819 0.3 . 1 . . . . 581 GLN CA . 17820 1 1079 . 1 1 257 257 GLN CB C 13 30.075 0.3 . 1 . . . . 581 GLN CB . 17820 1 1080 . 1 1 257 257 GLN N N 15 121.061 0.3 . 1 . . . . 581 GLN N . 17820 1 1081 . 1 1 258 258 LYS H H 1 8.410 0.020 . 1 . . . . 582 LYS H . 17820 1 1082 . 1 1 258 258 LYS C C 13 176.023 0.3 . 1 . . . . 582 LYS C . 17820 1 1083 . 1 1 258 258 LYS CA C 13 54.627 0.3 . 1 . . . . 582 LYS CA . 17820 1 1084 . 1 1 258 258 LYS CB C 13 32.830 0.3 . 1 . . . . 582 LYS CB . 17820 1 1085 . 1 1 258 258 LYS N N 15 123.454 0.3 . 1 . . . . 582 LYS N . 17820 1 1086 . 1 1 259 259 TYR H H 1 9.334 0.020 . 1 . . . . 583 TYR H . 17820 1 1087 . 1 1 259 259 TYR C C 13 174.727 0.3 . 1 . . . . 583 TYR C . 17820 1 1088 . 1 1 259 259 TYR CA C 13 57.529 0.3 . 1 . . . . 583 TYR CA . 17820 1 1089 . 1 1 259 259 TYR CB C 13 41.131 0.3 . 1 . . . . 583 TYR CB . 17820 1 1090 . 1 1 259 259 TYR N N 15 124.243 0.3 . 1 . . . . 583 TYR N . 17820 1 1091 . 1 1 260 260 VAL H H 1 8.881 0.020 . 1 . . . . 584 VAL H . 17820 1 1092 . 1 1 260 260 VAL C C 13 173.530 0.3 . 1 . . . . 584 VAL C . 17820 1 1093 . 1 1 260 260 VAL CA C 13 61.606 0.3 . 1 . . . . 584 VAL CA . 17820 1 1094 . 1 1 260 260 VAL CB C 13 29.509 0.3 . 1 . . . . 584 VAL CB . 17820 1 1095 . 1 1 260 260 VAL N N 15 121.831 0.3 . 1 . . . . 584 VAL N . 17820 1 1096 . 1 1 261 261 VAL H H 1 8.741 0.020 . 1 . . . . 585 VAL H . 17820 1 1097 . 1 1 261 261 VAL C C 13 174.402 0.3 . 1 . . . . 585 VAL C . 17820 1 1098 . 1 1 261 261 VAL CA C 13 59.323 0.3 . 1 . . . . 585 VAL CA . 17820 1 1099 . 1 1 261 261 VAL CB C 13 31.753 0.3 . 1 . . . . 585 VAL CB . 17820 1 1100 . 1 1 261 261 VAL N N 15 125.927 0.3 . 1 . . . . 585 VAL N . 17820 1 1101 . 1 1 262 262 MET H H 1 8.721 0.020 . 1 . . . . 586 MET H . 17820 1 1102 . 1 1 262 262 MET C C 13 173.255 0.3 . 1 . . . . 586 MET C . 17820 1 1103 . 1 1 262 262 MET CA C 13 52.244 0.3 . 1 . . . . 586 MET CA . 17820 1 1104 . 1 1 262 262 MET CB C 13 36.820 0.3 . 1 . . . . 586 MET CB . 17820 1 1105 . 1 1 262 262 MET N N 15 127.473 0.3 . 1 . . . . 586 MET N . 17820 1 1106 . 1 1 263 263 LYS H H 1 8.679 0.020 . 1 . . . . 587 LYS H . 17820 1 1107 . 1 1 263 263 LYS C C 13 176.796 0.3 . 1 . . . . 587 LYS C . 17820 1 1108 . 1 1 263 263 LYS CA C 13 52.850 0.3 . 1 . . . . 587 LYS CA . 17820 1 1109 . 1 1 263 263 LYS CB C 13 33.462 0.3 . 1 . . . . 587 LYS CB . 17820 1 1110 . 1 1 263 263 LYS N N 15 125.465 0.3 . 1 . . . . 587 LYS N . 17820 1 1111 . 1 1 264 264 THR H H 1 8.445 0.020 . 1 . . . . 588 THR H . 17820 1 1112 . 1 1 264 264 THR C C 13 174.532 0.3 . 1 . . . . 588 THR C . 17820 1 1113 . 1 1 264 264 THR CA C 13 59.884 0.3 . 1 . . . . 588 THR CA . 17820 1 1114 . 1 1 264 264 THR CB C 13 70.341 0.3 . 1 . . . . 588 THR CB . 17820 1 1115 . 1 1 264 264 THR N N 15 112.235 0.3 . 1 . . . . 588 THR N . 17820 1 1116 . 1 1 265 265 LYS H H 1 8.346 0.020 . 1 . . . . 589 LYS H . 17820 1 1117 . 1 1 265 265 LYS C C 13 175.038 0.3 . 1 . . . . 589 LYS C . 17820 1 1118 . 1 1 265 265 LYS CA C 13 53.950 0.3 . 1 . . . . 589 LYS CA . 17820 1 1119 . 1 1 265 265 LYS CB C 13 34.018 0.3 . 1 . . . . 589 LYS CB . 17820 1 1120 . 1 1 265 265 LYS N N 15 119.651 0.3 . 1 . . . . 589 LYS N . 17820 1 1121 . 1 1 266 266 ASP H H 1 9.157 0.020 . 1 . . . . 590 ASP H . 17820 1 1122 . 1 1 266 266 ASP C C 13 177.143 0.3 . 1 . . . . 590 ASP C . 17820 1 1123 . 1 1 266 266 ASP CB C 13 38.178 0.3 . 1 . . . . 590 ASP CB . 17820 1 1124 . 1 1 266 266 ASP N N 15 120.157 0.3 . 1 . . . . 590 ASP N . 17820 1 1125 . 1 1 267 267 ASP H H 1 7.963 0.020 . 1 . . . . 591 ASP H . 17820 1 1126 . 1 1 267 267 ASP C C 13 178.437 0.3 . 1 . . . . 591 ASP C . 17820 1 1127 . 1 1 267 267 ASP CA C 13 57.908 0.3 . 1 . . . . 591 ASP CA . 17820 1 1128 . 1 1 267 267 ASP CB C 13 41.699 0.3 . 1 . . . . 591 ASP CB . 17820 1 1129 . 1 1 267 267 ASP N N 15 117.543 0.3 . 1 . . . . 591 ASP N . 17820 1 1130 . 1 1 268 268 SER H H 1 8.638 0.020 . 1 . . . . 592 SER H . 17820 1 1131 . 1 1 268 268 SER CA C 13 59.863 0.3 . 1 . . . . 592 SER CA . 17820 1 1132 . 1 1 268 268 SER CB C 13 61.627 0.3 . 1 . . . . 592 SER CB . 17820 1 1133 . 1 1 268 268 SER N N 15 113.023 0.3 . 1 . . . . 592 SER N . 17820 1 1134 . 1 1 269 269 TYR H H 1 8.675 0.020 . 1 . . . . 593 TYR H . 17820 1 1135 . 1 1 269 269 TYR C C 13 176.259 0.3 . 1 . . . . 593 TYR C . 17820 1 1136 . 1 1 269 269 TYR CA C 13 56.418 0.3 . 1 . . . . 593 TYR CA . 17820 1 1137 . 1 1 269 269 TYR CB C 13 36.920 0.3 . 1 . . . . 593 TYR CB . 17820 1 1138 . 1 1 269 269 TYR N N 15 121.657 0.3 . 1 . . . . 593 TYR N . 17820 1 1139 . 1 1 270 270 TRP H H 1 8.762 0.020 . 1 . . . . 594 TRP H . 17820 1 1140 . 1 1 270 270 TRP C C 13 176.341 0.3 . 1 . . . . 594 TRP C . 17820 1 1141 . 1 1 270 270 TRP CA C 13 58.313 0.3 . 1 . . . . 594 TRP CA . 17820 1 1142 . 1 1 270 270 TRP CB C 13 27.721 0.3 . 1 . . . . 594 TRP CB . 17820 1 1143 . 1 1 270 270 TRP N N 15 121.382 0.3 . 1 . . . . 594 TRP N . 17820 1 1144 . 1 1 271 271 LYS H H 1 9.144 0.020 . 1 . . . . 595 LYS H . 17820 1 1145 . 1 1 271 271 LYS C C 13 175.673 0.3 . 1 . . . . 595 LYS C . 17820 1 1146 . 1 1 271 271 LYS CA C 13 54.550 0.3 . 1 . . . . 595 LYS CA . 17820 1 1147 . 1 1 271 271 LYS CB C 13 31.693 0.3 . 1 . . . . 595 LYS CB . 17820 1 1148 . 1 1 271 271 LYS N N 15 121.096 0.3 . 1 . . . . 595 LYS N . 17820 1 1149 . 1 1 272 272 ASP H H 1 7.586 0.020 . 1 . . . . 596 ASP H . 17820 1 1150 . 1 1 272 272 ASP C C 13 174.472 0.3 . 1 . . . . 596 ASP C . 17820 1 1151 . 1 1 272 272 ASP CA C 13 52.794 0.3 . 1 . . . . 596 ASP CA . 17820 1 1152 . 1 1 272 272 ASP CB C 13 42.306 0.3 . 1 . . . . 596 ASP CB . 17820 1 1153 . 1 1 272 272 ASP N N 15 114.344 0.3 . 1 . . . . 596 ASP N . 17820 1 1154 . 1 1 273 273 LEU H H 1 7.469 0.020 . 1 . . . . 597 LEU H . 17820 1 1155 . 1 1 273 273 LEU C C 13 173.377 0.3 . 1 . . . . 597 LEU C . 17820 1 1156 . 1 1 273 273 LEU CA C 13 55.378 0.3 . 1 . . . . 597 LEU CA . 17820 1 1157 . 1 1 273 273 LEU CB C 13 41.764 0.3 . 1 . . . . 597 LEU CB . 17820 1 1158 . 1 1 273 273 LEU N N 15 120.001 0.3 . 1 . . . . 597 LEU N . 17820 1 1159 . 1 1 274 274 ILE H H 1 8.705 0.020 . 1 . . . . 598 ILE H . 17820 1 1160 . 1 1 274 274 ILE C C 13 176.088 0.3 . 1 . . . . 598 ILE C . 17820 1 1161 . 1 1 274 274 ILE CA C 13 59.270 0.3 . 1 . . . . 598 ILE CA . 17820 1 1162 . 1 1 274 274 ILE CB C 13 39.369 0.3 . 1 . . . . 598 ILE CB . 17820 1 1163 . 1 1 274 274 ILE N N 15 128.504 0.3 . 1 . . . . 598 ILE N . 17820 1 1164 . 1 1 275 275 VAL H H 1 8.281 0.020 . 1 . . . . 599 VAL H . 17820 1 1165 . 1 1 275 275 VAL C C 13 176.056 0.3 . 1 . . . . 599 VAL C . 17820 1 1166 . 1 1 275 275 VAL CA C 13 61.002 0.3 . 1 . . . . 599 VAL CA . 17820 1 1167 . 1 1 275 275 VAL CB C 13 31.800 0.3 . 1 . . . . 599 VAL CB . 17820 1 1168 . 1 1 275 275 VAL N N 15 127.679 0.3 . 1 . . . . 599 VAL N . 17820 1 1169 . 1 1 276 276 GLU H H 1 9.835 0.020 . 1 . . . . 600 GLU H . 17820 1 1170 . 1 1 276 276 GLU C C 13 176.626 0.3 . 1 . . . . 600 GLU C . 17820 1 1171 . 1 1 276 276 GLU CA C 13 56.263 0.3 . 1 . . . . 600 GLU CA . 17820 1 1172 . 1 1 276 276 GLU CB C 13 25.912 0.3 . 1 . . . . 600 GLU CB . 17820 1 1173 . 1 1 276 276 GLU N N 15 129.004 0.3 . 1 . . . . 600 GLU N . 17820 1 1174 . 1 1 277 277 GLY H H 1 8.415 0.020 . 1 . . . . 601 GLY H . 17820 1 1175 . 1 1 277 277 GLY C C 13 173.574 0.3 . 1 . . . . 601 GLY C . 17820 1 1176 . 1 1 277 277 GLY CA C 13 44.574 0.3 . 1 . . . . 601 GLY CA . 17820 1 1177 . 1 1 277 277 GLY N N 15 103.128 0.3 . 1 . . . . 601 GLY N . 17820 1 1178 . 1 1 278 278 LYS H H 1 7.726 0.020 . 1 . . . . 602 LYS H . 17820 1 1179 . 1 1 278 278 LYS C C 13 175.921 0.3 . 1 . . . . 602 LYS C . 17820 1 1180 . 1 1 278 278 LYS CA C 13 53.414 0.3 . 1 . . . . 602 LYS CA . 17820 1 1181 . 1 1 278 278 LYS CB C 13 33.587 0.3 . 1 . . . . 602 LYS CB . 17820 1 1182 . 1 1 278 278 LYS N N 15 122.308 0.3 . 1 . . . . 602 LYS N . 17820 1 1183 . 1 1 279 279 ARG H H 1 9.218 0.020 . 1 . . . . 603 ARG H . 17820 1 1184 . 1 1 279 279 ARG C C 13 176.750 0.3 . 1 . . . . 603 ARG C . 17820 1 1185 . 1 1 279 279 ARG CA C 13 57.517 0.3 . 1 . . . . 603 ARG CA . 17820 1 1186 . 1 1 279 279 ARG CB C 13 27.888 0.3 . 1 . . . . 603 ARG CB . 17820 1 1187 . 1 1 279 279 ARG N N 15 132.033 0.3 . 1 . . . . 603 ARG N . 17820 1 1188 . 1 1 280 280 VAL H H 1 7.165 0.020 . 1 . . . . 604 VAL H . 17820 1 1189 . 1 1 280 280 VAL C C 13 175.438 0.3 . 1 . . . . 604 VAL C . 17820 1 1190 . 1 1 280 280 VAL CA C 13 61.214 0.3 . 1 . . . . 604 VAL CA . 17820 1 1191 . 1 1 280 280 VAL CB C 13 30.650 0.3 . 1 . . . . 604 VAL CB . 17820 1 1192 . 1 1 280 280 VAL N N 15 118.232 0.3 . 1 . . . . 604 VAL N . 17820 1 1193 . 1 1 281 281 THR H H 1 7.920 0.020 . 1 . . . . 605 THR H . 17820 1 1194 . 1 1 281 281 THR C C 13 174.337 0.3 . 1 . . . . 605 THR C . 17820 1 1195 . 1 1 281 281 THR CA C 13 61.598 0.3 . 1 . . . . 605 THR CA . 17820 1 1196 . 1 1 281 281 THR CB C 13 69.539 0.3 . 1 . . . . 605 THR CB . 17820 1 1197 . 1 1 281 281 THR N N 15 119.452 0.3 . 1 . . . . 605 THR N . 17820 1 1198 . 1 1 282 282 THR H H 1 9.176 0.020 . 1 . . . . 606 THR H . 17820 1 1199 . 1 1 282 282 THR C C 13 173.473 0.3 . 1 . . . . 606 THR C . 17820 1 1200 . 1 1 282 282 THR CA C 13 63.372 0.3 . 1 . . . . 606 THR CA . 17820 1 1201 . 1 1 282 282 THR CB C 13 67.755 0.3 . 1 . . . . 606 THR CB . 17820 1 1202 . 1 1 282 282 THR N N 15 126.158 0.3 . 1 . . . . 606 THR N . 17820 1 1203 . 1 1 283 283 VAL H H 1 8.515 0.020 . 1 . . . . 607 VAL H . 17820 1 1204 . 1 1 283 283 VAL C C 13 175.833 0.3 . 1 . . . . 607 VAL C . 17820 1 1205 . 1 1 283 283 VAL CA C 13 61.717 0.3 . 1 . . . . 607 VAL CA . 17820 1 1206 . 1 1 283 283 VAL CB C 13 31.570 0.3 . 1 . . . . 607 VAL CB . 17820 1 1207 . 1 1 283 283 VAL N N 15 127.718 0.3 . 1 . . . . 607 VAL N . 17820 1 1208 . 1 1 284 284 SER H H 1 7.663 0.020 . 1 . . . . 608 SER H . 17820 1 1209 . 1 1 284 284 SER C C 13 172.429 0.3 . 1 . . . . 608 SER C . 17820 1 1210 . 1 1 284 284 SER CA C 13 56.599 0.3 . 1 . . . . 608 SER CA . 17820 1 1211 . 1 1 284 284 SER CB C 13 64.486 0.3 . 1 . . . . 608 SER CB . 17820 1 1212 . 1 1 284 284 SER N N 15 111.830 0.3 . 1 . . . . 608 SER N . 17820 1 1213 . 1 1 285 285 LYS H H 1 8.471 0.020 . 1 . . . . 609 LYS H . 17820 1 1214 . 1 1 285 285 LYS C C 13 174.144 0.3 . 1 . . . . 609 LYS C . 17820 1 1215 . 1 1 285 285 LYS CA C 13 55.701 0.3 . 1 . . . . 609 LYS CA . 17820 1 1216 . 1 1 285 285 LYS CB C 13 34.729 0.3 . 1 . . . . 609 LYS CB . 17820 1 1217 . 1 1 285 285 LYS N N 15 121.352 0.3 . 1 . . . . 609 LYS N . 17820 1 1218 . 1 1 286 286 ASP H H 1 8.414 0.020 . 1 . . . . 610 ASP H . 17820 1 1219 . 1 1 286 286 ASP C C 13 174.955 0.3 . 1 . . . . 610 ASP C . 17820 1 1220 . 1 1 286 286 ASP CA C 13 49.269 0.3 . 1 . . . . 610 ASP CA . 17820 1 1221 . 1 1 286 286 ASP CB C 13 40.633 0.3 . 1 . . . . 610 ASP CB . 17820 1 1222 . 1 1 286 286 ASP N N 15 122.313 0.3 . 1 . . . . 610 ASP N . 17820 1 1223 . 1 1 287 287 PRO C C 13 178.920 0.3 . 1 . . . . 611 PRO C . 17820 1 1224 . 1 1 287 287 PRO CA C 13 63.330 0.3 . 1 . . . . 611 PRO CA . 17820 1 1225 . 1 1 287 287 PRO CB C 13 30.730 0.3 . 1 . . . . 611 PRO CB . 17820 1 1226 . 1 1 288 288 LYS H H 1 7.880 0.020 . 1 . . . . 612 LYS H . 17820 1 1227 . 1 1 288 288 LYS C C 13 177.596 0.3 . 1 . . . . 612 LYS C . 17820 1 1228 . 1 1 288 288 LYS CA C 13 57.924 0.3 . 1 . . . . 612 LYS CA . 17820 1 1229 . 1 1 288 288 LYS CB C 13 30.580 0.3 . 1 . . . . 612 LYS CB . 17820 1 1230 . 1 1 288 288 LYS N N 15 119.338 0.3 . 1 . . . . 612 LYS N . 17820 1 1231 . 1 1 289 289 ASN H H 1 7.140 0.020 . 1 . . . . 613 ASN H . 17820 1 1232 . 1 1 289 289 ASN C C 13 174.089 0.3 . 1 . . . . 613 ASN C . 17820 1 1233 . 1 1 289 289 ASN CA C 13 51.870 0.3 . 1 . . . . 613 ASN CA . 17820 1 1234 . 1 1 289 289 ASN CB C 13 38.214 0.3 . 1 . . . . 613 ASN CB . 17820 1 1235 . 1 1 289 289 ASN N N 15 114.927 0.3 . 1 . . . . 613 ASN N . 17820 1 1236 . 1 1 290 290 ASN H H 1 7.819 0.020 . 1 . . . . 614 ASN H . 17820 1 1237 . 1 1 290 290 ASN C C 13 173.012 0.3 . 1 . . . . 614 ASN C . 17820 1 1238 . 1 1 290 290 ASN CB C 13 35.284 0.3 . 1 . . . . 614 ASN CB . 17820 1 1239 . 1 1 290 290 ASN N N 15 119.929 0.3 . 1 . . . . 614 ASN N . 17820 1 1240 . 1 1 291 291 SER H H 1 7.468 0.020 . 1 . . . . 615 SER H . 17820 1 1241 . 1 1 291 291 SER C C 13 172.590 0.3 . 1 . . . . 615 SER C . 17820 1 1242 . 1 1 291 291 SER CA C 13 55.801 0.3 . 1 . . . . 615 SER CA . 17820 1 1243 . 1 1 291 291 SER CB C 13 65.492 0.3 . 1 . . . . 615 SER CB . 17820 1 1244 . 1 1 291 291 SER N N 15 111.559 0.3 . 1 . . . . 615 SER N . 17820 1 1245 . 1 1 292 292 ARG H H 1 7.993 0.020 . 1 . . . . 616 ARG H . 17820 1 1246 . 1 1 292 292 ARG C C 13 173.445 0.3 . 1 . . . . 616 ARG C . 17820 1 1247 . 1 1 292 292 ARG CA C 13 53.289 0.3 . 1 . . . . 616 ARG CA . 17820 1 1248 . 1 1 292 292 ARG CB C 13 32.045 0.3 . 1 . . . . 616 ARG CB . 17820 1 1249 . 1 1 292 292 ARG N N 15 126.673 0.3 . 1 . . . . 616 ARG N . 17820 1 1250 . 1 1 293 293 THR H H 1 8.351 0.020 . 1 . . . . 617 THR H . 17820 1 1251 . 1 1 293 293 THR C C 13 172.769 0.3 . 1 . . . . 617 THR C . 17820 1 1252 . 1 1 293 293 THR CA C 13 61.352 0.3 . 1 . . . . 617 THR CA . 17820 1 1253 . 1 1 293 293 THR CB C 13 68.101 0.3 . 1 . . . . 617 THR CB . 17820 1 1254 . 1 1 293 293 THR N N 15 117.732 0.3 . 1 . . . . 617 THR N . 17820 1 1255 . 1 1 294 294 LEU H H 1 9.493 0.020 . 1 . . . . 618 LEU H . 17820 1 1256 . 1 1 294 294 LEU C C 13 173.588 0.3 . 1 . . . . 618 LEU C . 17820 1 1257 . 1 1 294 294 LEU CA C 13 52.224 0.3 . 1 . . . . 618 LEU CA . 17820 1 1258 . 1 1 294 294 LEU CB C 13 44.636 0.3 . 1 . . . . 618 LEU CB . 17820 1 1259 . 1 1 294 294 LEU N N 15 129.275 0.3 . 1 . . . . 618 LEU N . 17820 1 1260 . 1 1 295 295 ILE H H 1 8.756 0.020 . 1 . . . . 619 ILE H . 17820 1 1261 . 1 1 295 295 ILE C C 13 175.896 0.3 . 1 . . . . 619 ILE C . 17820 1 1262 . 1 1 295 295 ILE CA C 13 57.515 0.3 . 1 . . . . 619 ILE CA . 17820 1 1263 . 1 1 295 295 ILE CB C 13 41.204 0.3 . 1 . . . . 619 ILE CB . 17820 1 1264 . 1 1 295 295 ILE N N 15 111.232 0.3 . 1 . . . . 619 ILE N . 17820 1 1265 . 1 1 296 296 PHE H H 1 8.054 0.020 . 1 . . . . 620 PHE H . 17820 1 1266 . 1 1 296 296 PHE C C 13 172.293 0.3 . 1 . . . . 620 PHE C . 17820 1 1267 . 1 1 296 296 PHE CA C 13 53.715 0.3 . 1 . . . . 620 PHE CA . 17820 1 1268 . 1 1 296 296 PHE CB C 13 38.103 0.3 . 1 . . . . 620 PHE CB . 17820 1 1269 . 1 1 296 296 PHE N N 15 115.428 0.3 . 1 . . . . 620 PHE N . 17820 1 1270 . 1 1 297 297 PRO C C 13 174.420 0.3 . 1 . . . . 621 PRO C . 17820 1 1271 . 1 1 297 297 PRO CA C 13 64.520 0.3 . 1 . . . . 621 PRO CA . 17820 1 1272 . 1 1 297 297 PRO CB C 13 31.160 0.3 . 1 . . . . 621 PRO CB . 17820 1 1273 . 1 1 298 298 TYR H H 1 7.878 0.020 . 1 . . . . 622 TYR H . 17820 1 1274 . 1 1 298 298 TYR C C 13 174.519 0.3 . 1 . . . . 622 TYR C . 17820 1 1275 . 1 1 298 298 TYR CA C 13 56.108 0.3 . 1 . . . . 622 TYR CA . 17820 1 1276 . 1 1 298 298 TYR CB C 13 38.122 0.3 . 1 . . . . 622 TYR CB . 17820 1 1277 . 1 1 298 298 TYR N N 15 122.541 0.3 . 1 . . . . 622 TYR N . 17820 1 1278 . 1 1 299 299 ILE H H 1 8.213 0.020 . 1 . . . . 623 ILE H . 17820 1 1279 . 1 1 299 299 ILE C C 13 174.535 0.3 . 1 . . . . 623 ILE C . 17820 1 1280 . 1 1 299 299 ILE CA C 13 55.922 0.3 . 1 . . . . 623 ILE CA . 17820 1 1281 . 1 1 299 299 ILE CB C 13 37.029 0.3 . 1 . . . . 623 ILE CB . 17820 1 1282 . 1 1 299 299 ILE N N 15 131.982 0.3 . 1 . . . . 623 ILE N . 17820 1 1283 . 1 1 300 300 PRO C C 13 176.260 0.3 . 1 . . . . 624 PRO C . 17820 1 1284 . 1 1 300 300 PRO CA C 13 63.460 0.3 . 1 . . . . 624 PRO CA . 17820 1 1285 . 1 1 300 300 PRO CB C 13 30.610 0.3 . 1 . . . . 624 PRO CB . 17820 1 1286 . 1 1 301 301 ASP H H 1 8.168 0.020 . 1 . . . . 625 ASP H . 17820 1 1287 . 1 1 301 301 ASP C C 13 174.199 0.3 . 1 . . . . 625 ASP C . 17820 1 1288 . 1 1 301 301 ASP CA C 13 53.754 0.3 . 1 . . . . 625 ASP CA . 17820 1 1289 . 1 1 301 301 ASP CB C 13 38.854 0.3 . 1 . . . . 625 ASP CB . 17820 1 1290 . 1 1 301 301 ASP N N 15 114.541 0.3 . 1 . . . . 625 ASP N . 17820 1 1291 . 1 1 302 302 LYS H H 1 6.938 0.020 . 1 . . . . 626 LYS H . 17820 1 1292 . 1 1 302 302 LYS C C 13 174.779 0.3 . 1 . . . . 626 LYS C . 17820 1 1293 . 1 1 302 302 LYS CA C 13 55.124 0.3 . 1 . . . . 626 LYS CA . 17820 1 1294 . 1 1 302 302 LYS CB C 13 32.366 0.3 . 1 . . . . 626 LYS CB . 17820 1 1295 . 1 1 302 302 LYS N N 15 121.269 0.3 . 1 . . . . 626 LYS N . 17820 1 1296 . 1 1 303 303 ALA H H 1 8.486 0.020 . 1 . . . . 627 ALA H . 17820 1 1297 . 1 1 303 303 ALA C C 13 175.995 0.3 . 1 . . . . 627 ALA C . 17820 1 1298 . 1 1 303 303 ALA CA C 13 53.512 0.3 . 1 . . . . 627 ALA CA . 17820 1 1299 . 1 1 303 303 ALA CB C 13 18.917 0.3 . 1 . . . . 627 ALA CB . 17820 1 1300 . 1 1 303 303 ALA N N 15 130.513 0.3 . 1 . . . . 627 ALA N . 17820 1 1301 . 1 1 304 304 VAL H H 1 7.377 0.020 . 1 . . . . 628 VAL H . 17820 1 1302 . 1 1 304 304 VAL C C 13 173.953 0.3 . 1 . . . . 628 VAL C . 17820 1 1303 . 1 1 304 304 VAL CA C 13 60.948 0.3 . 1 . . . . 628 VAL CA . 17820 1 1304 . 1 1 304 304 VAL CB C 13 32.921 0.3 . 1 . . . . 628 VAL CB . 17820 1 1305 . 1 1 304 304 VAL N N 15 114.781 0.3 . 1 . . . . 628 VAL N . 17820 1 1306 . 1 1 305 305 TYR H H 1 9.419 0.020 . 1 . . . . 629 TYR H . 17820 1 1307 . 1 1 305 305 TYR C C 13 175.730 0.3 . 1 . . . . 629 TYR C . 17820 1 1308 . 1 1 305 305 TYR CA C 13 55.107 0.3 . 1 . . . . 629 TYR CA . 17820 1 1309 . 1 1 305 305 TYR CB C 13 36.880 0.3 . 1 . . . . 629 TYR CB . 17820 1 1310 . 1 1 305 305 TYR N N 15 127.277 0.3 . 1 . . . . 629 TYR N . 17820 1 1311 . 1 1 306 306 ASN H H 1 9.922 0.020 . 1 . . . . 630 ASN H . 17820 1 1312 . 1 1 306 306 ASN C C 13 174.425 0.3 . 1 . . . . 630 ASN C . 17820 1 1313 . 1 1 306 306 ASN CA C 13 54.458 0.3 . 1 . . . . 630 ASN CA . 17820 1 1314 . 1 1 306 306 ASN CB C 13 40.012 0.3 . 1 . . . . 630 ASN CB . 17820 1 1315 . 1 1 306 306 ASN N N 15 125.698 0.3 . 1 . . . . 630 ASN N . 17820 1 1316 . 1 1 307 307 ALA H H 1 8.847 0.020 . 1 . . . . 631 ALA H . 17820 1 1317 . 1 1 307 307 ALA C C 13 174.522 0.3 . 1 . . . . 631 ALA C . 17820 1 1318 . 1 1 307 307 ALA CA C 13 49.503 0.3 . 1 . . . . 631 ALA CA . 17820 1 1319 . 1 1 307 307 ALA CB C 13 21.857 0.3 . 1 . . . . 631 ALA CB . 17820 1 1320 . 1 1 307 307 ALA N N 15 125.430 0.3 . 1 . . . . 631 ALA N . 17820 1 1321 . 1 1 308 308 ILE H H 1 8.861 0.020 . 1 . . . . 632 ILE H . 17820 1 1322 . 1 1 308 308 ILE C C 13 174.569 0.3 . 1 . . . . 632 ILE C . 17820 1 1323 . 1 1 308 308 ILE CA C 13 58.738 0.3 . 1 . . . . 632 ILE CA . 17820 1 1324 . 1 1 308 308 ILE CB C 13 39.113 0.3 . 1 . . . . 632 ILE CB . 17820 1 1325 . 1 1 308 308 ILE N N 15 120.596 0.3 . 1 . . . . 632 ILE N . 17820 1 1326 . 1 1 309 309 VAL H H 1 8.973 0.020 . 1 . . . . 633 VAL H . 17820 1 1327 . 1 1 309 309 VAL C C 13 173.702 0.3 . 1 . . . . 633 VAL C . 17820 1 1328 . 1 1 309 309 VAL CA C 13 58.680 0.3 . 1 . . . . 633 VAL CA . 17820 1 1329 . 1 1 309 309 VAL CB C 13 33.539 0.3 . 1 . . . . 633 VAL CB . 17820 1 1330 . 1 1 309 309 VAL N N 15 126.723 0.3 . 1 . . . . 633 VAL N . 17820 1 1331 . 1 1 310 310 LYS H H 1 7.936 0.020 . 1 . . . . 634 LYS H . 17820 1 1332 . 1 1 310 310 LYS C C 13 175.051 0.3 . 1 . . . . 634 LYS C . 17820 1 1333 . 1 1 310 310 LYS CB C 13 32.352 0.3 . 1 . . . . 634 LYS CB . 17820 1 1334 . 1 1 310 310 LYS N N 15 125.478 0.3 . 1 . . . . 634 LYS N . 17820 1 1335 . 1 1 311 311 VAL H H 1 8.476 0.020 . 1 . . . . 635 VAL H . 17820 1 1336 . 1 1 311 311 VAL C C 13 174.598 0.3 . 1 . . . . 635 VAL C . 17820 1 1337 . 1 1 311 311 VAL CA C 13 58.081 0.3 . 1 . . . . 635 VAL CA . 17820 1 1338 . 1 1 311 311 VAL CB C 13 35.005 0.3 . 1 . . . . 635 VAL CB . 17820 1 1339 . 1 1 311 311 VAL N N 15 119.295 0.3 . 1 . . . . 635 VAL N . 17820 1 1340 . 1 1 312 312 VAL H H 1 8.676 0.020 . 1 . . . . 636 VAL H . 17820 1 1341 . 1 1 312 312 VAL C C 13 174.836 0.3 . 1 . . . . 636 VAL C . 17820 1 1342 . 1 1 312 312 VAL CA C 13 61.958 0.3 . 1 . . . . 636 VAL CA . 17820 1 1343 . 1 1 312 312 VAL CB C 13 31.205 0.3 . 1 . . . . 636 VAL CB . 17820 1 1344 . 1 1 312 312 VAL N N 15 123.243 0.3 . 1 . . . . 636 VAL N . 17820 1 1345 . 1 1 313 313 VAL H H 1 7.926 0.020 . 1 . . . . 637 VAL H . 17820 1 1346 . 1 1 313 313 VAL C C 13 176.504 0.3 . 1 . . . . 637 VAL C . 17820 1 1347 . 1 1 313 313 VAL CA C 13 60.689 0.3 . 1 . . . . 637 VAL CA . 17820 1 1348 . 1 1 313 313 VAL CB C 13 30.592 0.3 . 1 . . . . 637 VAL CB . 17820 1 1349 . 1 1 313 313 VAL N N 15 126.120 0.3 . 1 . . . . 637 VAL N . 17820 1 1350 . 1 1 314 314 ALA H H 1 8.002 0.020 . 1 . . . . 638 ALA H . 17820 1 1351 . 1 1 314 314 ALA C C 13 178.576 0.3 . 1 . . . . 638 ALA C . 17820 1 1352 . 1 1 314 314 ALA CA C 13 53.478 0.3 . 1 . . . . 638 ALA CA . 17820 1 1353 . 1 1 314 314 ALA CB C 13 17.663 0.3 . 1 . . . . 638 ALA CB . 17820 1 1354 . 1 1 314 314 ALA N N 15 129.109 0.3 . 1 . . . . 638 ALA N . 17820 1 1355 . 1 1 315 315 ASN H H 1 8.152 0.020 . 1 . . . . 639 ASN H . 17820 1 1356 . 1 1 315 315 ASN C C 13 175.480 0.3 . 1 . . . . 639 ASN C . 17820 1 1357 . 1 1 315 315 ASN CA C 13 53.981 0.3 . 1 . . . . 639 ASN CA . 17820 1 1358 . 1 1 315 315 ASN CB C 13 37.059 0.3 . 1 . . . . 639 ASN CB . 17820 1 1359 . 1 1 315 315 ASN N N 15 114.469 0.3 . 1 . . . . 639 ASN N . 17820 1 1360 . 1 1 316 316 ILE H H 1 7.462 0.020 . 1 . . . . 640 ILE H . 17820 1 1361 . 1 1 316 316 ILE C C 13 176.669 0.3 . 1 . . . . 640 ILE C . 17820 1 1362 . 1 1 316 316 ILE CA C 13 60.620 0.3 . 1 . . . . 640 ILE CA . 17820 1 1363 . 1 1 316 316 ILE CB C 13 37.548 0.3 . 1 . . . . 640 ILE CB . 17820 1 1364 . 1 1 316 316 ILE N N 15 116.186 0.3 . 1 . . . . 640 ILE N . 17820 1 1365 . 1 1 317 317 GLY H H 1 8.060 0.020 . 1 . . . . 641 GLY H . 17820 1 1366 . 1 1 317 317 GLY C C 13 173.580 0.3 . 1 . . . . 641 GLY C . 17820 1 1367 . 1 1 317 317 GLY CA C 13 45.126 0.3 . 1 . . . . 641 GLY CA . 17820 1 1368 . 1 1 317 317 GLY N N 15 111.514 0.3 . 1 . . . . 641 GLY N . 17820 1 1369 . 1 1 318 318 ALA H H 1 7.288 0.020 . 1 . . . . 642 ALA H . 17820 1 1370 . 1 1 318 318 ALA C C 13 176.252 0.3 . 1 . . . . 642 ALA C . 17820 1 1371 . 1 1 318 318 ALA CA C 13 50.478 0.3 . 1 . . . . 642 ALA CA . 17820 1 1372 . 1 1 318 318 ALA CB C 13 19.459 0.3 . 1 . . . . 642 ALA CB . 17820 1 1373 . 1 1 318 318 ALA N N 15 121.815 0.3 . 1 . . . . 642 ALA N . 17820 1 1374 . 1 1 319 319 GLU H H 1 8.234 0.020 . 1 . . . . 643 GLU H . 17820 1 1375 . 1 1 319 319 GLU C C 13 176.018 0.3 . 1 . . . . 643 GLU C . 17820 1 1376 . 1 1 319 319 GLU CA C 13 55.158 0.3 . 1 . . . . 643 GLU CA . 17820 1 1377 . 1 1 319 319 GLU CB C 13 29.602 0.3 . 1 . . . . 643 GLU CB . 17820 1 1378 . 1 1 319 319 GLU N N 15 120.747 0.3 . 1 . . . . 643 GLU N . 17820 1 1379 . 1 1 320 320 GLY H H 1 8.415 0.020 . 1 . . . . 644 GLY H . 17820 1 1380 . 1 1 320 320 GLY C C 13 172.082 0.3 . 1 . . . . 644 GLY C . 17820 1 1381 . 1 1 320 320 GLY CA C 13 44.005 0.3 . 1 . . . . 644 GLY CA . 17820 1 1382 . 1 1 320 320 GLY N N 15 110.435 0.3 . 1 . . . . 644 GLY N . 17820 1 1383 . 1 1 321 321 GLN H H 1 7.075 0.020 . 1 . . . . 645 GLN H . 17820 1 1384 . 1 1 321 321 GLN C C 13 174.365 0.3 . 1 . . . . 645 GLN C . 17820 1 1385 . 1 1 321 321 GLN CA C 13 53.940 0.3 . 1 . . . . 645 GLN CA . 17820 1 1386 . 1 1 321 321 GLN CB C 13 27.631 0.3 . 1 . . . . 645 GLN CB . 17820 1 1387 . 1 1 321 321 GLN N N 15 117.881 0.3 . 1 . . . . 645 GLN N . 17820 1 1388 . 1 1 322 322 TYR H H 1 9.070 0.020 . 1 . . . . 646 TYR H . 17820 1 1389 . 1 1 322 322 TYR C C 13 174.788 0.3 . 1 . . . . 646 TYR C . 17820 1 1390 . 1 1 322 322 TYR CA C 13 55.722 0.3 . 1 . . . . 646 TYR CA . 17820 1 1391 . 1 1 322 322 TYR CB C 13 40.515 0.3 . 1 . . . . 646 TYR CB . 17820 1 1392 . 1 1 322 322 TYR N N 15 122.209 0.3 . 1 . . . . 646 TYR N . 17820 1 1393 . 1 1 323 323 HIS H H 1 8.698 0.020 . 1 . . . . 647 HIS H . 17820 1 1394 . 1 1 323 323 HIS C C 13 174.509 0.3 . 1 . . . . 647 HIS C . 17820 1 1395 . 1 1 323 323 HIS CA C 13 55.101 0.3 . 1 . . . . 647 HIS CA . 17820 1 1396 . 1 1 323 323 HIS CB C 13 31.144 0.3 . 1 . . . . 647 HIS CB . 17820 1 1397 . 1 1 323 323 HIS N N 15 124.110 0.3 . 1 . . . . 647 HIS N . 17820 1 1398 . 1 1 324 324 VAL H H 1 8.722 0.020 . 1 . . . . 648 VAL H . 17820 1 1399 . 1 1 324 324 VAL C C 13 172.987 0.3 . 1 . . . . 648 VAL C . 17820 1 1400 . 1 1 324 324 VAL CA C 13 57.512 0.3 . 1 . . . . 648 VAL CA . 17820 1 1401 . 1 1 324 324 VAL CB C 13 34.144 0.3 . 1 . . . . 648 VAL CB . 17820 1 1402 . 1 1 324 324 VAL N N 15 120.504 0.3 . 1 . . . . 648 VAL N . 17820 1 1403 . 1 1 325 325 ARG H H 1 8.040 0.020 . 1 . . . . 649 ARG H . 17820 1 1404 . 1 1 325 325 ARG C C 13 174.468 0.3 . 1 . . . . 649 ARG C . 17820 1 1405 . 1 1 325 325 ARG CA C 13 53.346 0.3 . 1 . . . . 649 ARG CA . 17820 1 1406 . 1 1 325 325 ARG CB C 13 31.030 0.3 . 1 . . . . 649 ARG CB . 17820 1 1407 . 1 1 325 325 ARG N N 15 118.149 0.3 . 1 . . . . 649 ARG N . 17820 1 1408 . 1 1 326 326 ILE H H 1 9.344 0.020 . 1 . . . . 650 ILE H . 17820 1 1409 . 1 1 326 326 ILE C C 13 175.253 0.3 . 1 . . . . 650 ILE C . 17820 1 1410 . 1 1 326 326 ILE CA C 13 60.999 0.3 . 1 . . . . 650 ILE CA . 17820 1 1411 . 1 1 326 326 ILE CB C 13 36.519 0.3 . 1 . . . . 650 ILE CB . 17820 1 1412 . 1 1 326 326 ILE N N 15 127.210 0.3 . 1 . . . . 650 ILE N . 17820 1 1413 . 1 1 327 327 ILE H H 1 9.079 0.020 . 1 . . . . 651 ILE H . 17820 1 1414 . 1 1 327 327 ILE C C 13 175.471 0.3 . 1 . . . . 651 ILE C . 17820 1 1415 . 1 1 327 327 ILE CA C 13 58.681 0.3 . 1 . . . . 651 ILE CA . 17820 1 1416 . 1 1 327 327 ILE CB C 13 37.916 0.3 . 1 . . . . 651 ILE CB . 17820 1 1417 . 1 1 327 327 ILE N N 15 129.534 0.3 . 1 . . . . 651 ILE N . 17820 1 1418 . 1 1 328 328 ASN H H 1 8.826 0.020 . 1 . . . . 652 ASN H . 17820 1 1419 . 1 1 328 328 ASN C C 13 176.411 0.3 . 1 . . . . 652 ASN C . 17820 1 1420 . 1 1 328 328 ASN CA C 13 50.546 0.3 . 1 . . . . 652 ASN CA . 17820 1 1421 . 1 1 328 328 ASN CB C 13 37.152 0.3 . 1 . . . . 652 ASN CB . 17820 1 1422 . 1 1 328 328 ASN N N 15 123.781 0.3 . 1 . . . . 652 ASN N . 17820 1 1423 . 1 1 329 329 GLN H H 1 8.708 0.020 . 1 . . . . 653 GLN H . 17820 1 1424 . 1 1 329 329 GLN C C 13 176.585 0.3 . 1 . . . . 653 GLN C . 17820 1 1425 . 1 1 329 329 GLN CA C 13 56.370 0.3 . 1 . . . . 653 GLN CA . 17820 1 1426 . 1 1 329 329 GLN CB C 13 28.239 0.3 . 1 . . . . 653 GLN CB . 17820 1 1427 . 1 1 329 329 GLN N N 15 124.627 0.3 . 1 . . . . 653 GLN N . 17820 1 1428 . 1 1 330 330 ASP H H 1 7.980 0.020 . 1 . . . . 654 ASP H . 17820 1 1429 . 1 1 330 330 ASP C C 13 175.960 0.3 . 1 . . . . 654 ASP C . 17820 1 1430 . 1 1 330 330 ASP CA C 13 54.545 0.3 . 1 . . . . 654 ASP CA . 17820 1 1431 . 1 1 330 330 ASP CB C 13 39.581 0.3 . 1 . . . . 654 ASP CB . 17820 1 1432 . 1 1 330 330 ASP N N 15 116.893 0.3 . 1 . . . . 654 ASP N . 17820 1 1433 . 1 1 331 331 ILE H H 1 6.727 0.020 . 1 . . . . 655 ILE H . 17820 1 1434 . 1 1 331 331 ILE C C 13 175.218 0.3 . 1 . . . . 655 ILE C . 17820 1 1435 . 1 1 331 331 ILE CA C 13 58.790 0.3 . 1 . . . . 655 ILE CA . 17820 1 1436 . 1 1 331 331 ILE CB C 13 36.019 0.3 . 1 . . . . 655 ILE CB . 17820 1 1437 . 1 1 331 331 ILE N N 15 119.246 0.3 . 1 . . . . 655 ILE N . 17820 1 1438 . 1 1 332 332 ASN H H 1 8.299 0.020 . 1 . . . . 656 ASN H . 17820 1 1439 . 1 1 332 332 ASN C C 13 175.113 0.3 . 1 . . . . 656 ASN C . 17820 1 1440 . 1 1 332 332 ASN CA C 13 52.467 0.3 . 1 . . . . 656 ASN CA . 17820 1 1441 . 1 1 332 332 ASN CB C 13 38.185 0.3 . 1 . . . . 656 ASN CB . 17820 1 1442 . 1 1 332 332 ASN N N 15 124.418 0.3 . 1 . . . . 656 ASN N . 17820 1 1443 . 1 1 333 333 THR H H 1 7.952 0.020 . 1 . . . . 657 THR H . 17820 1 1444 . 1 1 333 333 THR C C 13 174.160 0.3 . 1 . . . . 657 THR C . 17820 1 1445 . 1 1 333 333 THR CA C 13 60.903 0.3 . 1 . . . . 657 THR CA . 17820 1 1446 . 1 1 333 333 THR CB C 13 68.666 0.3 . 1 . . . . 657 THR CB . 17820 1 1447 . 1 1 333 333 THR N N 15 115.773 0.3 . 1 . . . . 657 THR N . 17820 1 1448 . 1 1 334 334 LYS H H 1 8.069 0.020 . 1 . . . . 658 LYS H . 17820 1 1449 . 1 1 334 334 LYS C C 13 175.916 0.3 . 1 . . . . 658 LYS C . 17820 1 1450 . 1 1 334 334 LYS CA C 13 55.208 0.3 . 1 . . . . 658 LYS CA . 17820 1 1451 . 1 1 334 334 LYS CB C 13 31.771 0.3 . 1 . . . . 658 LYS CB . 17820 1 1452 . 1 1 334 334 LYS N N 15 123.723 0.3 . 1 . . . . 658 LYS N . 17820 1 1453 . 1 1 335 335 ASP H H 1 8.199 0.020 . 1 . . . . 659 ASP H . 17820 1 1454 . 1 1 335 335 ASP C C 13 174.892 0.3 . 1 . . . . 659 ASP C . 17820 1 1455 . 1 1 335 335 ASP CA C 13 53.453 0.3 . 1 . . . . 659 ASP CA . 17820 1 1456 . 1 1 335 335 ASP CB C 13 40.425 0.3 . 1 . . . . 659 ASP CB . 17820 1 1457 . 1 1 335 335 ASP N N 15 122.983 0.3 . 1 . . . . 659 ASP N . 17820 1 1458 . 1 1 336 336 ASP H H 1 7.749 0.020 . 1 . . . . 660 ASP H . 17820 1 1459 . 1 1 336 336 ASP C C 13 180.700 0.3 . 1 . . . . 660 ASP C . 17820 1 1460 . 1 1 336 336 ASP CA C 13 54.878 0.3 . 1 . . . . 660 ASP CA . 17820 1 1461 . 1 1 336 336 ASP CB C 13 41.062 0.3 . 1 . . . . 660 ASP CB . 17820 1 1462 . 1 1 336 336 ASP N N 15 126.292 0.3 . 1 . . . . 660 ASP N . 17820 1 stop_ save_