data_17721 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17721 _Entry.Title ; Backbone (1H, 13C, 15N) Chemical Shifts for the two tandem Calcium Binding Domains (CBD12) of the Na+/Ca2+ exchanger in the absence of Calcium ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-06-20 _Entry.Accession_date 2011-06-20 _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, 15N) Chemical Shifts for CBD12 in the free state' _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 Roberto Salinas . K. . 17721 2 Lei Bruschweiler-Li . . . 17721 3 Eric Johnson . . . 17721 4 Rafael Bruschweiler . . . 17721 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Department of Chemistry&Biochemistry; FSU' . 17721 . . 'National High Magnetic Field Laboratory; FSU' . 17721 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17721 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 610 17721 '15N chemical shifts' 218 17721 '1H chemical shifts' 218 17721 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 . . 2012-02-17 2011-06-20 update BMRB 'update entry citation' 17721 1 . . 2011-08-16 2011-06-20 original author 'original release' 17721 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15764 'Resonance assignments for CBD1 in the free state' 17721 BMRB 17722 'Backbone (1H,15N,13C) chemical shifts of CBD12 in the Ca2+-bound state' 17721 BMRB 7008 'Resonance assignments for CBD2 in the Ca2+-bound state' 17721 BMRB 7009 'Resonance assignments for CBD1 in the Ca2+-bound state' 17721 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17721 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21778234 _Citation.Full_citation . _Citation.Title 'Ca2+ binding alters the interdomain flexibility between the two cytoplasmic calcium-binding domains in the Na+/Ca2+ exchanger.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 37 _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 32123 _Citation.Page_last 32131 _Citation.Year 2011 _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 Roberto Salinas . K. . 17721 1 2 Lei Bruschweiler-Li . . . 17721 1 3 Eric Johnson . . . 17721 1 4 Rafael Bruschweiler . . . 17721 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CBD12 17721 1 NCX 17721 1 'Sodium-Calcium Exchanger' 17721 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17721 _Assembly.ID 1 _Assembly.Name CBD12 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 32916.169 _Assembly.Enzyme_commission_number . _Assembly.Details 'Monomeric protein' _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 CBD12 1 $CBD12 A . yes native no no . . . 17721 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2DPK . . X-ray 2.5 'structure of CBD1+Ca2+' . 17721 1 yes PDB 2FWS . . 'solution NMR' . 'structure of CBD1+Ca2+' . 17721 1 yes PDB 2FWU . . 'solution NMR' . 'structure of CBD2+Ca2+' . 17721 1 yes PDB 2QVK . . X-ray 1.45 'structure of CBD2 Apo' . 17721 1 yes PDB 2QVM . . X-ray 1.7 'structure of CBD2+Ca2+' . 17721 1 yes PDB 3E9U . . X-ray 2.5 'structure of CBD2 Apo' 'From Drosophila' 17721 1 yes PDB 3GIN . . X-ray 2.4 CBD1-E454K+Ca2 . 17721 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Na+ Ca2+ exchanger' 17721 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CBD12 _Entity.Sf_category entity _Entity.Sf_framecode CBD12 _Entity.Entry_ID 17721 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CBD12 _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 ; MSHHHHHHVSKIFFEQGTYQ CLENCGTVALTIIRRGGDLT NTVFVDFRTEDGTANAGSDY EFTEGTVVFKPGETQKEIRV GIIDDDIFEEDENFLVHLSN VKVSSEASEDGILEANHVSA LACLGSPSTATVTIFDDDHA GIFTFEEPVTHVSESIGIME VKVLRTSGARGNVIVPYKTI EGTARGGGEDFEDTCGELEF QNDEIVKTISVKVIDDEEYE KNKTFFLEIGEPRLVEMSEK KGGFTITEEYDDKQPLTSKE EEERRIAEMGRPILGEHTKL EVIIEESYEFKSTVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 371-657 from the canine NCX1 AD splice variant expressed as an eight-residue His-tag fusion' _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 295 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment CBD12 _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 yes SP P23685 . NAC1_CANFA . . . . . . . . . . . . . . 17721 1 2 no BMRB 17722 . CBD12 . . . . . 100.00 295 100.00 100.00 0.00e+00 . . . . 17721 1 3 no PDB 3US9 . "Crystal Structure Of The Ncx1 Intracellular Tandem Calcium Binding Domains(Cbd12)" . . . . . 100.00 295 99.66 100.00 0.00e+00 . . . . 17721 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Sodium-Calcium Exchanger' 17721 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 1 363 MET . 17721 1 2 364 SER . 17721 1 3 365 HIS . 17721 1 4 366 HIS . 17721 1 5 367 HIS . 17721 1 6 368 HIS . 17721 1 7 369 HIS . 17721 1 8 370 HIS . 17721 1 9 371 VAL . 17721 1 10 372 SER . 17721 1 11 373 LYS . 17721 1 12 374 ILE . 17721 1 13 375 PHE . 17721 1 14 376 PHE . 17721 1 15 377 GLU . 17721 1 16 378 GLN . 17721 1 17 379 GLY . 17721 1 18 380 THR . 17721 1 19 381 TYR . 17721 1 20 382 GLN . 17721 1 21 383 CYS . 17721 1 22 384 LEU . 17721 1 23 385 GLU . 17721 1 24 386 ASN . 17721 1 25 387 CYS . 17721 1 26 388 GLY . 17721 1 27 389 THR . 17721 1 28 390 VAL . 17721 1 29 391 ALA . 17721 1 30 392 LEU . 17721 1 31 393 THR . 17721 1 32 394 ILE . 17721 1 33 395 ILE . 17721 1 34 396 ARG . 17721 1 35 397 ARG . 17721 1 36 398 GLY . 17721 1 37 399 GLY . 17721 1 38 400 ASP . 17721 1 39 401 LEU . 17721 1 40 402 THR . 17721 1 41 403 ASN . 17721 1 42 404 THR . 17721 1 43 405 VAL . 17721 1 44 406 PHE . 17721 1 45 407 VAL . 17721 1 46 408 ASP . 17721 1 47 409 PHE . 17721 1 48 410 ARG . 17721 1 49 411 THR . 17721 1 50 412 GLU . 17721 1 51 413 ASP . 17721 1 52 414 GLY . 17721 1 53 415 THR . 17721 1 54 416 ALA . 17721 1 55 417 ASN . 17721 1 56 418 ALA . 17721 1 57 419 GLY . 17721 1 58 420 SER . 17721 1 59 421 ASP . 17721 1 60 422 TYR . 17721 1 61 423 GLU . 17721 1 62 424 PHE . 17721 1 63 425 THR . 17721 1 64 426 GLU . 17721 1 65 427 GLY . 17721 1 66 428 THR . 17721 1 67 429 VAL . 17721 1 68 430 VAL . 17721 1 69 431 PHE . 17721 1 70 432 LYS . 17721 1 71 433 PRO . 17721 1 72 434 GLY . 17721 1 73 435 GLU . 17721 1 74 436 THR . 17721 1 75 437 GLN . 17721 1 76 438 LYS . 17721 1 77 439 GLU . 17721 1 78 440 ILE . 17721 1 79 441 ARG . 17721 1 80 442 VAL . 17721 1 81 443 GLY . 17721 1 82 444 ILE . 17721 1 83 445 ILE . 17721 1 84 446 ASP . 17721 1 85 447 ASP . 17721 1 86 448 ASP . 17721 1 87 449 ILE . 17721 1 88 450 PHE . 17721 1 89 451 GLU . 17721 1 90 452 GLU . 17721 1 91 453 ASP . 17721 1 92 454 GLU . 17721 1 93 455 ASN . 17721 1 94 456 PHE . 17721 1 95 457 LEU . 17721 1 96 458 VAL . 17721 1 97 459 HIS . 17721 1 98 460 LEU . 17721 1 99 461 SER . 17721 1 100 462 ASN . 17721 1 101 463 VAL . 17721 1 102 464 LYS . 17721 1 103 465 VAL . 17721 1 104 466 SER . 17721 1 105 467 SER . 17721 1 106 468 GLU . 17721 1 107 469 ALA . 17721 1 108 470 SER . 17721 1 109 471 GLU . 17721 1 110 472 ASP . 17721 1 111 473 GLY . 17721 1 112 474 ILE . 17721 1 113 475 LEU . 17721 1 114 476 GLU . 17721 1 115 477 ALA . 17721 1 116 478 ASN . 17721 1 117 479 HIS . 17721 1 118 480 VAL . 17721 1 119 481 SER . 17721 1 120 482 ALA . 17721 1 121 483 LEU . 17721 1 122 484 ALA . 17721 1 123 485 CYS . 17721 1 124 486 LEU . 17721 1 125 487 GLY . 17721 1 126 488 SER . 17721 1 127 489 PRO . 17721 1 128 490 SER . 17721 1 129 491 THR . 17721 1 130 492 ALA . 17721 1 131 493 THR . 17721 1 132 494 VAL . 17721 1 133 495 THR . 17721 1 134 496 ILE . 17721 1 135 497 PHE . 17721 1 136 498 ASP . 17721 1 137 499 ASP . 17721 1 138 500 ASP . 17721 1 139 501 HIS . 17721 1 140 502 ALA . 17721 1 141 503 GLY . 17721 1 142 504 ILE . 17721 1 143 505 PHE . 17721 1 144 506 THR . 17721 1 145 507 PHE . 17721 1 146 508 GLU . 17721 1 147 509 GLU . 17721 1 148 510 PRO . 17721 1 149 511 VAL . 17721 1 150 512 THR . 17721 1 151 513 HIS . 17721 1 152 514 VAL . 17721 1 153 515 SER . 17721 1 154 516 GLU . 17721 1 155 517 SER . 17721 1 156 518 ILE . 17721 1 157 519 GLY . 17721 1 158 520 ILE . 17721 1 159 521 MET . 17721 1 160 522 GLU . 17721 1 161 523 VAL . 17721 1 162 524 LYS . 17721 1 163 525 VAL . 17721 1 164 526 LEU . 17721 1 165 527 ARG . 17721 1 166 528 THR . 17721 1 167 529 SER . 17721 1 168 530 GLY . 17721 1 169 531 ALA . 17721 1 170 532 ARG . 17721 1 171 533 GLY . 17721 1 172 534 ASN . 17721 1 173 535 VAL . 17721 1 174 536 ILE . 17721 1 175 537 VAL . 17721 1 176 538 PRO . 17721 1 177 539 TYR . 17721 1 178 540 LYS . 17721 1 179 541 THR . 17721 1 180 542 ILE . 17721 1 181 543 GLU . 17721 1 182 544 GLY . 17721 1 183 545 THR . 17721 1 184 546 ALA . 17721 1 185 547 ARG . 17721 1 186 548 GLY . 17721 1 187 549 GLY . 17721 1 188 550 GLY . 17721 1 189 551 GLU . 17721 1 190 552 ASP . 17721 1 191 553 PHE . 17721 1 192 554 GLU . 17721 1 193 555 ASP . 17721 1 194 556 THR . 17721 1 195 557 CYS . 17721 1 196 558 GLY . 17721 1 197 559 GLU . 17721 1 198 560 LEU . 17721 1 199 561 GLU . 17721 1 200 562 PHE . 17721 1 201 563 GLN . 17721 1 202 564 ASN . 17721 1 203 565 ASP . 17721 1 204 566 GLU . 17721 1 205 567 ILE . 17721 1 206 568 VAL . 17721 1 207 569 LYS . 17721 1 208 570 THR . 17721 1 209 571 ILE . 17721 1 210 572 SER . 17721 1 211 573 VAL . 17721 1 212 574 LYS . 17721 1 213 575 VAL . 17721 1 214 576 ILE . 17721 1 215 577 ASP . 17721 1 216 578 ASP . 17721 1 217 579 GLU . 17721 1 218 580 GLU . 17721 1 219 581 TYR . 17721 1 220 582 GLU . 17721 1 221 583 LYS . 17721 1 222 584 ASN . 17721 1 223 585 LYS . 17721 1 224 586 THR . 17721 1 225 587 PHE . 17721 1 226 588 PHE . 17721 1 227 589 LEU . 17721 1 228 590 GLU . 17721 1 229 591 ILE . 17721 1 230 592 GLY . 17721 1 231 593 GLU . 17721 1 232 594 PRO . 17721 1 233 595 ARG . 17721 1 234 596 LEU . 17721 1 235 597 VAL . 17721 1 236 598 GLU . 17721 1 237 599 MET . 17721 1 238 600 SER . 17721 1 239 601 GLU . 17721 1 240 602 LYS . 17721 1 241 603 LYS . 17721 1 242 604 GLY . 17721 1 243 605 GLY . 17721 1 244 606 PHE . 17721 1 245 607 THR . 17721 1 246 608 ILE . 17721 1 247 609 THR . 17721 1 248 610 GLU . 17721 1 249 611 GLU . 17721 1 250 612 TYR . 17721 1 251 613 ASP . 17721 1 252 614 ASP . 17721 1 253 615 LYS . 17721 1 254 616 GLN . 17721 1 255 617 PRO . 17721 1 256 618 LEU . 17721 1 257 619 THR . 17721 1 258 620 SER . 17721 1 259 621 LYS . 17721 1 260 622 GLU . 17721 1 261 623 GLU . 17721 1 262 624 GLU . 17721 1 263 625 GLU . 17721 1 264 626 ARG . 17721 1 265 627 ARG . 17721 1 266 628 ILE . 17721 1 267 629 ALA . 17721 1 268 630 GLU . 17721 1 269 631 MET . 17721 1 270 632 GLY . 17721 1 271 633 ARG . 17721 1 272 634 PRO . 17721 1 273 635 ILE . 17721 1 274 636 LEU . 17721 1 275 637 GLY . 17721 1 276 638 GLU . 17721 1 277 639 HIS . 17721 1 278 640 THR . 17721 1 279 641 LYS . 17721 1 280 642 LEU . 17721 1 281 643 GLU . 17721 1 282 644 VAL . 17721 1 283 645 ILE . 17721 1 284 646 ILE . 17721 1 285 647 GLU . 17721 1 286 648 GLU . 17721 1 287 649 SER . 17721 1 288 650 TYR . 17721 1 289 651 GLU . 17721 1 290 652 PHE . 17721 1 291 653 LYS . 17721 1 292 654 SER . 17721 1 293 655 THR . 17721 1 294 656 VAL . 17721 1 295 657 ASP . 17721 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17721 1 . SER 2 2 17721 1 . HIS 3 3 17721 1 . HIS 4 4 17721 1 . HIS 5 5 17721 1 . HIS 6 6 17721 1 . HIS 7 7 17721 1 . HIS 8 8 17721 1 . VAL 9 9 17721 1 . SER 10 10 17721 1 . LYS 11 11 17721 1 . ILE 12 12 17721 1 . PHE 13 13 17721 1 . PHE 14 14 17721 1 . GLU 15 15 17721 1 . GLN 16 16 17721 1 . GLY 17 17 17721 1 . THR 18 18 17721 1 . TYR 19 19 17721 1 . GLN 20 20 17721 1 . CYS 21 21 17721 1 . LEU 22 22 17721 1 . GLU 23 23 17721 1 . ASN 24 24 17721 1 . CYS 25 25 17721 1 . GLY 26 26 17721 1 . THR 27 27 17721 1 . VAL 28 28 17721 1 . ALA 29 29 17721 1 . LEU 30 30 17721 1 . THR 31 31 17721 1 . ILE 32 32 17721 1 . ILE 33 33 17721 1 . ARG 34 34 17721 1 . ARG 35 35 17721 1 . GLY 36 36 17721 1 . GLY 37 37 17721 1 . ASP 38 38 17721 1 . LEU 39 39 17721 1 . THR 40 40 17721 1 . ASN 41 41 17721 1 . THR 42 42 17721 1 . VAL 43 43 17721 1 . PHE 44 44 17721 1 . VAL 45 45 17721 1 . ASP 46 46 17721 1 . PHE 47 47 17721 1 . ARG 48 48 17721 1 . THR 49 49 17721 1 . GLU 50 50 17721 1 . ASP 51 51 17721 1 . GLY 52 52 17721 1 . THR 53 53 17721 1 . ALA 54 54 17721 1 . ASN 55 55 17721 1 . ALA 56 56 17721 1 . GLY 57 57 17721 1 . SER 58 58 17721 1 . ASP 59 59 17721 1 . TYR 60 60 17721 1 . GLU 61 61 17721 1 . PHE 62 62 17721 1 . THR 63 63 17721 1 . GLU 64 64 17721 1 . GLY 65 65 17721 1 . THR 66 66 17721 1 . VAL 67 67 17721 1 . VAL 68 68 17721 1 . PHE 69 69 17721 1 . LYS 70 70 17721 1 . PRO 71 71 17721 1 . GLY 72 72 17721 1 . GLU 73 73 17721 1 . THR 74 74 17721 1 . GLN 75 75 17721 1 . LYS 76 76 17721 1 . GLU 77 77 17721 1 . ILE 78 78 17721 1 . ARG 79 79 17721 1 . VAL 80 80 17721 1 . GLY 81 81 17721 1 . ILE 82 82 17721 1 . ILE 83 83 17721 1 . ASP 84 84 17721 1 . ASP 85 85 17721 1 . ASP 86 86 17721 1 . ILE 87 87 17721 1 . PHE 88 88 17721 1 . GLU 89 89 17721 1 . GLU 90 90 17721 1 . ASP 91 91 17721 1 . GLU 92 92 17721 1 . ASN 93 93 17721 1 . PHE 94 94 17721 1 . LEU 95 95 17721 1 . VAL 96 96 17721 1 . HIS 97 97 17721 1 . LEU 98 98 17721 1 . SER 99 99 17721 1 . ASN 100 100 17721 1 . VAL 101 101 17721 1 . LYS 102 102 17721 1 . VAL 103 103 17721 1 . SER 104 104 17721 1 . SER 105 105 17721 1 . GLU 106 106 17721 1 . ALA 107 107 17721 1 . SER 108 108 17721 1 . GLU 109 109 17721 1 . ASP 110 110 17721 1 . GLY 111 111 17721 1 . ILE 112 112 17721 1 . LEU 113 113 17721 1 . GLU 114 114 17721 1 . ALA 115 115 17721 1 . ASN 116 116 17721 1 . HIS 117 117 17721 1 . VAL 118 118 17721 1 . SER 119 119 17721 1 . ALA 120 120 17721 1 . LEU 121 121 17721 1 . ALA 122 122 17721 1 . CYS 123 123 17721 1 . LEU 124 124 17721 1 . GLY 125 125 17721 1 . SER 126 126 17721 1 . PRO 127 127 17721 1 . SER 128 128 17721 1 . THR 129 129 17721 1 . ALA 130 130 17721 1 . THR 131 131 17721 1 . VAL 132 132 17721 1 . THR 133 133 17721 1 . ILE 134 134 17721 1 . PHE 135 135 17721 1 . ASP 136 136 17721 1 . ASP 137 137 17721 1 . ASP 138 138 17721 1 . HIS 139 139 17721 1 . ALA 140 140 17721 1 . GLY 141 141 17721 1 . ILE 142 142 17721 1 . PHE 143 143 17721 1 . THR 144 144 17721 1 . PHE 145 145 17721 1 . GLU 146 146 17721 1 . GLU 147 147 17721 1 . PRO 148 148 17721 1 . VAL 149 149 17721 1 . THR 150 150 17721 1 . HIS 151 151 17721 1 . VAL 152 152 17721 1 . SER 153 153 17721 1 . GLU 154 154 17721 1 . SER 155 155 17721 1 . ILE 156 156 17721 1 . GLY 157 157 17721 1 . ILE 158 158 17721 1 . MET 159 159 17721 1 . GLU 160 160 17721 1 . VAL 161 161 17721 1 . LYS 162 162 17721 1 . VAL 163 163 17721 1 . LEU 164 164 17721 1 . ARG 165 165 17721 1 . THR 166 166 17721 1 . SER 167 167 17721 1 . GLY 168 168 17721 1 . ALA 169 169 17721 1 . ARG 170 170 17721 1 . GLY 171 171 17721 1 . ASN 172 172 17721 1 . VAL 173 173 17721 1 . ILE 174 174 17721 1 . VAL 175 175 17721 1 . PRO 176 176 17721 1 . TYR 177 177 17721 1 . LYS 178 178 17721 1 . THR 179 179 17721 1 . ILE 180 180 17721 1 . GLU 181 181 17721 1 . GLY 182 182 17721 1 . THR 183 183 17721 1 . ALA 184 184 17721 1 . ARG 185 185 17721 1 . GLY 186 186 17721 1 . GLY 187 187 17721 1 . GLY 188 188 17721 1 . GLU 189 189 17721 1 . ASP 190 190 17721 1 . PHE 191 191 17721 1 . GLU 192 192 17721 1 . ASP 193 193 17721 1 . THR 194 194 17721 1 . CYS 195 195 17721 1 . GLY 196 196 17721 1 . GLU 197 197 17721 1 . LEU 198 198 17721 1 . GLU 199 199 17721 1 . PHE 200 200 17721 1 . GLN 201 201 17721 1 . ASN 202 202 17721 1 . ASP 203 203 17721 1 . GLU 204 204 17721 1 . ILE 205 205 17721 1 . VAL 206 206 17721 1 . LYS 207 207 17721 1 . THR 208 208 17721 1 . ILE 209 209 17721 1 . SER 210 210 17721 1 . VAL 211 211 17721 1 . LYS 212 212 17721 1 . VAL 213 213 17721 1 . ILE 214 214 17721 1 . ASP 215 215 17721 1 . ASP 216 216 17721 1 . GLU 217 217 17721 1 . GLU 218 218 17721 1 . TYR 219 219 17721 1 . GLU 220 220 17721 1 . LYS 221 221 17721 1 . ASN 222 222 17721 1 . LYS 223 223 17721 1 . THR 224 224 17721 1 . PHE 225 225 17721 1 . PHE 226 226 17721 1 . LEU 227 227 17721 1 . GLU 228 228 17721 1 . ILE 229 229 17721 1 . GLY 230 230 17721 1 . GLU 231 231 17721 1 . PRO 232 232 17721 1 . ARG 233 233 17721 1 . LEU 234 234 17721 1 . VAL 235 235 17721 1 . GLU 236 236 17721 1 . MET 237 237 17721 1 . SER 238 238 17721 1 . GLU 239 239 17721 1 . LYS 240 240 17721 1 . LYS 241 241 17721 1 . GLY 242 242 17721 1 . GLY 243 243 17721 1 . PHE 244 244 17721 1 . THR 245 245 17721 1 . ILE 246 246 17721 1 . THR 247 247 17721 1 . GLU 248 248 17721 1 . GLU 249 249 17721 1 . TYR 250 250 17721 1 . ASP 251 251 17721 1 . ASP 252 252 17721 1 . LYS 253 253 17721 1 . GLN 254 254 17721 1 . PRO 255 255 17721 1 . LEU 256 256 17721 1 . THR 257 257 17721 1 . SER 258 258 17721 1 . LYS 259 259 17721 1 . GLU 260 260 17721 1 . GLU 261 261 17721 1 . GLU 262 262 17721 1 . GLU 263 263 17721 1 . ARG 264 264 17721 1 . ARG 265 265 17721 1 . ILE 266 266 17721 1 . ALA 267 267 17721 1 . GLU 268 268 17721 1 . MET 269 269 17721 1 . GLY 270 270 17721 1 . ARG 271 271 17721 1 . PRO 272 272 17721 1 . ILE 273 273 17721 1 . LEU 274 274 17721 1 . GLY 275 275 17721 1 . GLU 276 276 17721 1 . HIS 277 277 17721 1 . THR 278 278 17721 1 . LYS 279 279 17721 1 . LEU 280 280 17721 1 . GLU 281 281 17721 1 . VAL 282 282 17721 1 . ILE 283 283 17721 1 . ILE 284 284 17721 1 . GLU 285 285 17721 1 . GLU 286 286 17721 1 . SER 287 287 17721 1 . TYR 288 288 17721 1 . GLU 289 289 17721 1 . PHE 290 290 17721 1 . LYS 291 291 17721 1 . SER 292 292 17721 1 . THR 293 293 17721 1 . VAL 294 294 17721 1 . ASP 295 295 17721 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 17721 _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 $CBD12 . 9615 organism . 'Canis familiaris' dogs . . Eukaryota Metazoa Canis familiaris . . . . . . . . . . . . . . . . 'Sodium Calcium Exchanger 1' . 'AD splice variant' . . 17721 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 17721 _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 $CBD12 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET23b . . . . . . 17721 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17721 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM CBD12 in 20 mM Hepes pH 7.0, 100mM KCl, 15mM EDTA, 20 mM beta-mercaptoethanol' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CBD12 '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $CBD12 . . 0.5 . . mM 0.1 . . . 17721 1 2 H2O 'natural abundance' . . . . . . 90.0 . . % . . . . 17721 1 3 D2O 'natural abundance' . . . . . . 10.0 . . % . . . . 17721 1 4 hepes 'natural abundance' . . . . . . 20.0 . . mM . . . . 17721 1 5 KCl 'natural abundance' . . . . . . 100.0 . . mM . . . . 17721 1 6 EDTA 'natural abundance' . . . . . . 15.0 . . mM . . . . 17721 1 7 Beta-mercaptoethanol 'natural abundance' . . . . . . 20.0 . . mM . . . . 17721 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 17721 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 0.1 M 17721 1 pH 7 1 pH 17721 1 pressure 1 . atm 17721 1 temperature 306 2 K 17721 1 stop_ save_ ############################ # Computer software used # ############################ save_Analysis_CCPN _Software.Sf_category software _Software.Sf_framecode Analysis_CCPN _Software.Entry_ID 17721 _Software.ID 1 _Software.Name Analysis_CCPN _Software.Version 2.1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17721 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17721 1 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 17721 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17721 _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 . . . 17721 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 17721 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17721 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17721 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17721 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17721 1 5 '3D HN(CO)CACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17721 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 17721 _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 water protons . . . . ppm 4.642 na indirect 0.251449530 . . . . . . . . . 17721 1 H 1 water protons . . . . ppm 4.642 internal direct 1.000000000 . . . . . . . . . 17721 1 N 15 water protons . . . . ppm 4.642 na indirect 0.101329118 . . . . . . . . . 17721 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 17721 _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 '3D HNCA' . . . 17721 1 2 '3D HNCO' . . . 17721 1 3 '3D HN(CO)CA' . . . 17721 1 4 '3D HN(CA)CO' . . . 17721 1 5 '3D HN(CO)CACB' . . . 17721 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 13 13 PHE C C 13 173.558 0.000 . 1 . . . . 375 F C . 17721 1 2 . 1 1 13 13 PHE CA C 13 55.225 0.000 . 1 . . . . 375 F CA . 17721 1 3 . 1 1 13 13 PHE CB C 13 38.318 0.000 . 1 . . . . 375 F CB . 17721 1 4 . 1 1 14 14 PHE H H 1 8.454 0.012 . 1 . . . . 376 F HN . 17721 1 5 . 1 1 14 14 PHE C C 13 176.235 0.012 . 1 . . . . 376 F C . 17721 1 6 . 1 1 14 14 PHE CA C 13 59.114 0.000 . 1 . . . . 376 F CA . 17721 1 7 . 1 1 14 14 PHE CB C 13 40.693 0.014 . 1 . . . . 376 F CB . 17721 1 8 . 1 1 14 14 PHE N N 15 117.232 0.128 . 1 . . . . 376 F N . 17721 1 9 . 1 1 15 15 GLU H H 1 8.702 0.010 . 1 . . . . 377 E HN . 17721 1 10 . 1 1 15 15 GLU C C 13 175.978 0.102 . 1 . . . . 377 E C . 17721 1 11 . 1 1 15 15 GLU CA C 13 58.689 0.000 . 1 . . . . 377 E CA . 17721 1 12 . 1 1 15 15 GLU CB C 13 29.817 0.027 . 1 . . . . 377 E CB . 17721 1 13 . 1 1 15 15 GLU N N 15 120.128 0.213 . 1 . . . . 377 E N . 17721 1 14 . 1 1 16 16 GLN H H 1 7.250 0.007 . 1 . . . . 378 Q HN . 17721 1 15 . 1 1 16 16 GLN C C 13 173.657 0.002 . 1 . . . . 378 Q C . 17721 1 16 . 1 1 16 16 GLN CA C 13 52.652 0.000 . 1 . . . . 378 Q CA . 17721 1 17 . 1 1 16 16 GLN CB C 13 30.429 0.002 . 1 . . . . 378 Q CB . 17721 1 18 . 1 1 16 16 GLN N N 15 110.011 0.027 . 1 . . . . 378 Q N . 17721 1 19 . 1 1 17 17 GLY H H 1 8.289 0.000 . 1 . . . . 379 G HN . 17721 1 20 . 1 1 17 17 GLY C C 13 174.070 0.012 . 1 . . . . 379 G C . 17721 1 21 . 1 1 17 17 GLY CA C 13 44.684 0.002 . 1 . . . . 379 G CA . 17721 1 22 . 1 1 17 17 GLY N N 15 103.000 0.015 . 1 . . . . 379 G N . 17721 1 23 . 1 1 18 18 THR H H 1 7.042 0.015 . 1 . . . . 380 T HN . 17721 1 24 . 1 1 18 18 THR C C 13 171.998 0.000 . 1 . . . . 380 T C . 17721 1 25 . 1 1 18 18 THR CA C 13 58.910 0.000 . 1 . . . . 380 T CA . 17721 1 26 . 1 1 18 18 THR CB C 13 71.064 0.003 . 1 . . . . 380 T CB . 17721 1 27 . 1 1 18 18 THR N N 15 111.542 0.009 . 1 . . . . 380 T N . 17721 1 28 . 1 1 19 19 TYR H H 1 8.609 0.001 . 1 . . . . 381 Y HN . 17721 1 29 . 1 1 19 19 TYR C C 13 174.203 0.008 . 1 . . . . 381 Y C . 17721 1 30 . 1 1 19 19 TYR CA C 13 57.014 0.000 . 1 . . . . 381 Y CA . 17721 1 31 . 1 1 19 19 TYR CB C 13 42.278 0.004 . 1 . . . . 381 Y CB . 17721 1 32 . 1 1 19 19 TYR N N 15 121.689 0.065 . 1 . . . . 381 Y N . 17721 1 33 . 1 1 20 20 GLN H H 1 8.489 0.008 . 1 . . . . 382 Q HN . 17721 1 34 . 1 1 20 20 GLN C C 13 174.671 0.034 . 1 . . . . 382 Q C . 17721 1 35 . 1 1 20 20 GLN CA C 13 53.756 0.003 . 1 . . . . 382 Q CA . 17721 1 36 . 1 1 20 20 GLN N N 15 119.577 0.021 . 1 . . . . 382 Q N . 17721 1 37 . 1 1 21 21 CYS H H 1 8.952 0.005 . 1 . . . . 383 C HN . 17721 1 38 . 1 1 21 21 CYS C C 13 171.407 0.000 . 1 . . . . 383 C C . 17721 1 39 . 1 1 21 21 CYS CA C 13 55.090 0.004 . 1 . . . . 383 C CA . 17721 1 40 . 1 1 21 21 CYS N N 15 117.926 0.019 . 1 . . . . 383 C N . 17721 1 41 . 1 1 22 22 LEU H H 1 8.078 0.024 . 1 . . . . 384 L HN . 17721 1 42 . 1 1 22 22 LEU C C 13 179.467 0.041 . 1 . . . . 384 L C . 17721 1 43 . 1 1 22 22 LEU CA C 13 52.869 0.005 . 1 . . . . 384 L CA . 17721 1 44 . 1 1 22 22 LEU N N 15 120.340 0.083 . 1 . . . . 384 L N . 17721 1 45 . 1 1 23 23 GLU H H 1 8.256 0.000 . 1 . . . . 385 E HN . 17721 1 46 . 1 1 23 23 GLU C C 13 174.964 0.070 . 1 . . . . 385 E C . 17721 1 47 . 1 1 23 23 GLU CA C 13 57.531 0.004 . 1 . . . . 385 E CA . 17721 1 48 . 1 1 23 23 GLU N N 15 119.599 0.130 . 1 . . . . 385 E N . 17721 1 49 . 1 1 24 24 ASN H H 1 7.458 0.000 . 1 . . . . 386 N HN . 17721 1 50 . 1 1 24 24 ASN C C 13 177.093 0.014 . 1 . . . . 386 N C . 17721 1 51 . 1 1 24 24 ASN CA C 13 51.677 0.000 . 1 . . . . 386 N CA . 17721 1 52 . 1 1 24 24 ASN CB C 13 37.082 0.013 . 1 . . . . 386 N CB . 17721 1 53 . 1 1 24 24 ASN N N 15 113.804 0.071 . 1 . . . . 386 N N . 17721 1 54 . 1 1 25 25 CYS H H 1 7.410 0.003 . 1 . . . . 387 C HN . 17721 1 55 . 1 1 25 25 CYS C C 13 175.804 0.011 . 1 . . . . 387 C C . 17721 1 56 . 1 1 25 25 CYS CA C 13 58.995 0.000 . 1 . . . . 387 C CA . 17721 1 57 . 1 1 25 25 CYS CB C 13 29.360 0.002 . 1 . . . . 387 C CB . 17721 1 58 . 1 1 25 25 CYS N N 15 115.127 0.024 . 1 . . . . 387 C N . 17721 1 59 . 1 1 26 26 GLY H H 1 9.026 0.005 . 1 . . . . 388 G HN . 17721 1 60 . 1 1 26 26 GLY C C 13 174.533 0.008 . 1 . . . . 388 G C . 17721 1 61 . 1 1 26 26 GLY CA C 13 46.291 0.002 . 1 . . . . 388 G CA . 17721 1 62 . 1 1 26 26 GLY N N 15 116.985 0.023 . 1 . . . . 388 G N . 17721 1 63 . 1 1 27 27 THR H H 1 7.719 0.012 . 1 . . . . 389 T HN . 17721 1 64 . 1 1 27 27 THR C C 13 172.392 0.000 . 1 . . . . 389 T C . 17721 1 65 . 1 1 27 27 THR CA C 13 59.166 0.000 . 1 . . . . 389 T CA . 17721 1 66 . 1 1 27 27 THR CB C 13 72.798 0.002 . 1 . . . . 389 T CB . 17721 1 67 . 1 1 27 27 THR N N 15 113.984 0.011 . 1 . . . . 389 T N . 17721 1 68 . 1 1 28 28 VAL H H 1 8.609 0.003 . 1 . . . . 390 V HN . 17721 1 69 . 1 1 28 28 VAL C C 13 171.799 0.004 . 1 . . . . 390 V C . 17721 1 70 . 1 1 28 28 VAL CA C 13 58.133 0.000 . 1 . . . . 390 V CA . 17721 1 71 . 1 1 28 28 VAL CB C 13 33.371 0.004 . 1 . . . . 390 V CB . 17721 1 72 . 1 1 28 28 VAL N N 15 121.751 0.035 . 1 . . . . 390 V N . 17721 1 73 . 1 1 29 29 ALA H H 1 7.876 0.009 . 1 . . . . 391 A HN . 17721 1 74 . 1 1 29 29 ALA C C 13 176.308 0.020 . 1 . . . . 391 A C . 17721 1 75 . 1 1 29 29 ALA CA C 13 49.496 0.000 . 1 . . . . 391 A CA . 17721 1 76 . 1 1 29 29 ALA CB C 13 19.426 0.002 . 1 . . . . 391 A CB . 17721 1 77 . 1 1 29 29 ALA N N 15 129.092 0.020 . 1 . . . . 391 A N . 17721 1 78 . 1 1 30 30 LEU H H 1 8.543 0.010 . 1 . . . . 392 L HN . 17721 1 79 . 1 1 30 30 LEU C C 13 175.130 0.017 . 1 . . . . 392 L C . 17721 1 80 . 1 1 30 30 LEU CA C 13 55.060 0.000 . 1 . . . . 392 L CA . 17721 1 81 . 1 1 30 30 LEU CB C 13 42.489 0.002 . 1 . . . . 392 L CB . 17721 1 82 . 1 1 30 30 LEU N N 15 122.570 0.020 . 1 . . . . 392 L N . 17721 1 83 . 1 1 31 31 THR H H 1 7.319 0.014 . 1 . . . . 393 T HN . 17721 1 84 . 1 1 31 31 THR C C 13 172.525 0.031 . 1 . . . . 393 T C . 17721 1 85 . 1 1 31 31 THR CA C 13 62.017 0.000 . 1 . . . . 393 T CA . 17721 1 86 . 1 1 31 31 THR CB C 13 69.910 0.002 . 1 . . . . 393 T CB . 17721 1 87 . 1 1 31 31 THR N N 15 116.206 0.010 . 1 . . . . 393 T N . 17721 1 88 . 1 1 32 32 ILE H H 1 9.146 0.016 . 1 . . . . 394 I HN . 17721 1 89 . 1 1 32 32 ILE C C 13 173.305 0.028 . 1 . . . . 394 I C . 17721 1 90 . 1 1 32 32 ILE CA C 13 59.729 0.000 . 1 . . . . 394 I CA . 17721 1 91 . 1 1 32 32 ILE CB C 13 38.794 0.001 . 1 . . . . 394 I CB . 17721 1 92 . 1 1 32 32 ILE N N 15 128.435 0.012 . 1 . . . . 394 I N . 17721 1 93 . 1 1 33 33 ILE H H 1 8.904 0.006 . 1 . . . . 395 I HN . 17721 1 94 . 1 1 33 33 ILE C C 13 173.621 0.011 . 1 . . . . 395 I C . 17721 1 95 . 1 1 33 33 ILE CA C 13 56.950 0.000 . 1 . . . . 395 I CA . 17721 1 96 . 1 1 33 33 ILE CB C 13 37.743 0.002 . 1 . . . . 395 I CB . 17721 1 97 . 1 1 33 33 ILE N N 15 127.353 0.071 . 1 . . . . 395 I N . 17721 1 98 . 1 1 34 34 ARG H H 1 7.678 0.015 . 1 . . . . 396 R HN . 17721 1 99 . 1 1 34 34 ARG C C 13 174.320 0.001 . 1 . . . . 396 R C . 17721 1 100 . 1 1 34 34 ARG CA C 13 53.343 0.000 . 1 . . . . 396 R CA . 17721 1 101 . 1 1 34 34 ARG CB C 13 31.411 0.002 . 1 . . . . 396 R CB . 17721 1 102 . 1 1 34 34 ARG N N 15 122.808 0.009 . 1 . . . . 396 R N . 17721 1 103 . 1 1 35 35 ARG H H 1 8.746 0.008 . 1 . . . . 397 R HN . 17721 1 104 . 1 1 35 35 ARG C C 13 175.766 0.011 . 1 . . . . 397 R C . 17721 1 105 . 1 1 35 35 ARG CA C 13 54.789 0.001 . 1 . . . . 397 R CA . 17721 1 106 . 1 1 35 35 ARG N N 15 126.421 0.021 . 1 . . . . 397 R N . 17721 1 107 . 1 1 36 36 GLY H H 1 8.725 0.006 . 1 . . . . 398 G HN . 17721 1 108 . 1 1 36 36 GLY C C 13 173.223 0.013 . 1 . . . . 398 G C . 17721 1 109 . 1 1 36 36 GLY CA C 13 43.310 0.007 . 1 . . . . 398 G CA . 17721 1 110 . 1 1 36 36 GLY N N 15 115.787 0.043 . 1 . . . . 398 G N . 17721 1 111 . 1 1 37 37 GLY H H 1 7.942 0.008 . 1 . . . . 399 G HN . 17721 1 112 . 1 1 37 37 GLY C C 13 172.405 0.013 . 1 . . . . 399 G C . 17721 1 113 . 1 1 37 37 GLY CA C 13 44.889 0.003 . 1 . . . . 399 G CA . 17721 1 114 . 1 1 37 37 GLY N N 15 105.835 0.016 . 1 . . . . 399 G N . 17721 1 115 . 1 1 38 38 ASP H H 1 8.308 0.000 . 1 . . . . 400 D HN . 17721 1 116 . 1 1 38 38 ASP C C 13 177.523 0.000 . 1 . . . . 400 D C . 17721 1 117 . 1 1 38 38 ASP CA C 13 52.455 0.002 . 1 . . . . 400 D CA . 17721 1 118 . 1 1 38 38 ASP N N 15 120.159 0.015 . 1 . . . . 400 D N . 17721 1 119 . 1 1 39 39 LEU C C 13 177.225 0.000 . 1 . . . . 401 L C . 17721 1 120 . 1 1 39 39 LEU CA C 13 55.018 0.000 . 1 . . . . 401 L CA . 17721 1 121 . 1 1 40 40 THR H H 1 8.407 0.000 . 1 . . . . 402 T HN . 17721 1 122 . 1 1 40 40 THR C C 13 174.525 0.015 . 1 . . . . 402 T C . 17721 1 123 . 1 1 40 40 THR CA C 13 62.773 0.000 . 1 . . . . 402 T CA . 17721 1 124 . 1 1 40 40 THR CB C 13 68.471 0.003 . 1 . . . . 402 T CB . 17721 1 125 . 1 1 40 40 THR N N 15 110.905 0.040 . 1 . . . . 402 T N . 17721 1 126 . 1 1 41 41 ASN H H 1 6.820 0.008 . 1 . . . . 403 N HN . 17721 1 127 . 1 1 41 41 ASN C C 13 174.577 0.021 . 1 . . . . 403 N C . 17721 1 128 . 1 1 41 41 ASN CA C 13 52.246 0.000 . 1 . . . . 403 N CA . 17721 1 129 . 1 1 41 41 ASN CB C 13 38.741 0.003 . 1 . . . . 403 N CB . 17721 1 130 . 1 1 41 41 ASN N N 15 117.558 0.036 . 1 . . . . 403 N N . 17721 1 131 . 1 1 42 42 THR H H 1 8.262 0.015 . 1 . . . . 404 T HN . 17721 1 132 . 1 1 42 42 THR C C 13 173.737 0.000 . 1 . . . . 404 T C . 17721 1 133 . 1 1 42 42 THR CA C 13 62.065 0.000 . 1 . . . . 404 T CA . 17721 1 134 . 1 1 42 42 THR CB C 13 68.925 0.002 . 1 . . . . 404 T CB . 17721 1 135 . 1 1 42 42 THR N N 15 119.776 0.033 . 1 . . . . 404 T N . 17721 1 136 . 1 1 43 43 VAL H H 1 8.356 0.011 . 1 . . . . 405 V HN . 17721 1 137 . 1 1 43 43 VAL C C 13 172.788 0.018 . 1 . . . . 405 V C . 17721 1 138 . 1 1 43 43 VAL CA C 13 59.824 0.000 . 1 . . . . 405 V CA . 17721 1 139 . 1 1 43 43 VAL CB C 13 34.766 0.001 . 1 . . . . 405 V CB . 17721 1 140 . 1 1 43 43 VAL N N 15 126.140 0.004 . 1 . . . . 405 V N . 17721 1 141 . 1 1 44 44 PHE H H 1 9.155 0.009 . 1 . . . . 406 F HN . 17721 1 142 . 1 1 44 44 PHE C C 13 174.740 0.011 . 1 . . . . 406 F C . 17721 1 143 . 1 1 44 44 PHE CA C 13 55.111 0.000 . 1 . . . . 406 F CA . 17721 1 144 . 1 1 44 44 PHE CB C 13 41.136 0.001 . 1 . . . . 406 F CB . 17721 1 145 . 1 1 44 44 PHE N N 15 127.091 0.018 . 1 . . . . 406 F N . 17721 1 146 . 1 1 45 45 VAL H H 1 8.797 0.007 . 1 . . . . 407 V HN . 17721 1 147 . 1 1 45 45 VAL C C 13 171.943 0.034 . 1 . . . . 407 V C . 17721 1 148 . 1 1 45 45 VAL CA C 13 60.896 0.000 . 1 . . . . 407 V CA . 17721 1 149 . 1 1 45 45 VAL CB C 13 34.017 0.002 . 1 . . . . 407 V CB . 17721 1 150 . 1 1 45 45 VAL N N 15 118.811 0.011 . 1 . . . . 407 V N . 17721 1 151 . 1 1 46 46 ASP H H 1 8.525 0.017 . 1 . . . . 408 D HN . 17721 1 152 . 1 1 46 46 ASP C C 13 175.389 0.027 . 1 . . . . 408 D C . 17721 1 153 . 1 1 46 46 ASP CA C 13 53.041 0.000 . 1 . . . . 408 D CA . 17721 1 154 . 1 1 46 46 ASP CB C 13 41.112 0.002 . 1 . . . . 408 D CB . 17721 1 155 . 1 1 46 46 ASP N N 15 128.012 0.031 . 1 . . . . 408 D N . 17721 1 156 . 1 1 47 47 PHE H H 1 8.447 0.000 . 1 . . . . 409 F HN . 17721 1 157 . 1 1 47 47 PHE C C 13 174.219 0.002 . 1 . . . . 409 F C . 17721 1 158 . 1 1 47 47 PHE CA C 13 54.684 0.001 . 1 . . . . 409 F CA . 17721 1 159 . 1 1 47 47 PHE N N 15 114.592 0.013 . 1 . . . . 409 F N . 17721 1 160 . 1 1 48 48 ARG H H 1 8.175 0.012 . 1 . . . . 410 R HN . 17721 1 161 . 1 1 48 48 ARG C C 13 175.035 0.002 . 1 . . . . 410 R C . 17721 1 162 . 1 1 48 48 ARG CA C 13 55.433 0.000 . 1 . . . . 410 R CA . 17721 1 163 . 1 1 48 48 ARG CB C 13 32.593 0.004 . 1 . . . . 410 R CB . 17721 1 164 . 1 1 48 48 ARG N N 15 117.680 0.042 . 1 . . . . 410 R N . 17721 1 165 . 1 1 49 49 THR H H 1 7.807 0.006 . 1 . . . . 411 T HN . 17721 1 166 . 1 1 49 49 THR C C 13 174.549 0.015 . 1 . . . . 411 T C . 17721 1 167 . 1 1 49 49 THR CA C 13 60.092 0.000 . 1 . . . . 411 T CA . 17721 1 168 . 1 1 49 49 THR CB C 13 71.388 0.001 . 1 . . . . 411 T CB . 17721 1 169 . 1 1 49 49 THR N N 15 113.733 0.021 . 1 . . . . 411 T N . 17721 1 170 . 1 1 50 50 GLU H H 1 9.016 0.003 . 1 . . . . 412 E HN . 17721 1 171 . 1 1 50 50 GLU C C 13 174.022 0.004 . 1 . . . . 412 E C . 17721 1 172 . 1 1 50 50 GLU CA C 13 55.375 0.000 . 1 . . . . 412 E CA . 17721 1 173 . 1 1 50 50 GLU CB C 13 33.266 0.001 . 1 . . . . 412 E CB . 17721 1 174 . 1 1 50 50 GLU N N 15 121.687 0.012 . 1 . . . . 412 E N . 17721 1 175 . 1 1 51 51 ASP H H 1 8.773 0.008 . 1 . . . . 413 D HN . 17721 1 176 . 1 1 51 51 ASP C C 13 176.868 0.004 . 1 . . . . 413 D C . 17721 1 177 . 1 1 51 51 ASP CA C 13 56.508 0.000 . 1 . . . . 413 D CA . 17721 1 178 . 1 1 51 51 ASP CB C 13 40.363 0.002 . 1 . . . . 413 D CB . 17721 1 179 . 1 1 51 51 ASP N N 15 125.036 0.015 . 1 . . . . 413 D N . 17721 1 180 . 1 1 52 52 GLY H H 1 7.229 0.001 . 1 . . . . 414 G HN . 17721 1 181 . 1 1 52 52 GLY C C 13 174.809 0.005 . 1 . . . . 414 G C . 17721 1 182 . 1 1 52 52 GLY CA C 13 45.571 0.002 . 1 . . . . 414 G CA . 17721 1 183 . 1 1 52 52 GLY N N 15 110.855 0.039 . 1 . . . . 414 G N . 17721 1 184 . 1 1 53 53 THR H H 1 8.140 0.016 . 1 . . . . 415 T HN . 17721 1 185 . 1 1 53 53 THR C C 13 175.493 0.065 . 1 . . . . 415 T C . 17721 1 186 . 1 1 53 53 THR CA C 13 62.558 0.000 . 1 . . . . 415 T CA . 17721 1 187 . 1 1 53 53 THR CB C 13 68.491 0.008 . 1 . . . . 415 T CB . 17721 1 188 . 1 1 53 53 THR N N 15 119.824 0.052 . 1 . . . . 415 T N . 17721 1 189 . 1 1 54 54 ALA H H 1 9.362 0.005 . 1 . . . . 416 A HN . 17721 1 190 . 1 1 54 54 ALA C C 13 176.736 0.019 . 1 . . . . 416 A C . 17721 1 191 . 1 1 54 54 ALA CA C 13 50.120 0.000 . 1 . . . . 416 A CA . 17721 1 192 . 1 1 54 54 ALA CB C 13 19.343 0.003 . 1 . . . . 416 A CB . 17721 1 193 . 1 1 54 54 ALA N N 15 124.551 0.020 . 1 . . . . 416 A N . 17721 1 194 . 1 1 55 55 ASN H H 1 10.035 0.017 . 1 . . . . 417 N HN . 17721 1 195 . 1 1 55 55 ASN C C 13 175.193 0.002 . 1 . . . . 417 N C . 17721 1 196 . 1 1 55 55 ASN CA C 13 52.065 0.003 . 1 . . . . 417 N CA . 17721 1 197 . 1 1 55 55 ASN N N 15 117.606 0.050 . 1 . . . . 417 N N . 17721 1 198 . 1 1 56 56 ALA H H 1 9.704 0.006 . 1 . . . . 418 A HN . 17721 1 199 . 1 1 56 56 ALA C C 13 179.065 0.047 . 1 . . . . 418 A C . 17721 1 200 . 1 1 56 56 ALA CA C 13 51.629 0.000 . 1 . . . . 418 A CA . 17721 1 201 . 1 1 56 56 ALA CB C 13 17.139 0.001 . 1 . . . . 418 A CB . 17721 1 202 . 1 1 56 56 ALA N N 15 133.597 0.016 . 1 . . . . 418 A N . 17721 1 203 . 1 1 57 57 GLY H H 1 8.708 0.000 . 1 . . . . 419 G HN . 17721 1 204 . 1 1 57 57 GLY C C 13 173.241 0.003 . 1 . . . . 419 G C . 17721 1 205 . 1 1 57 57 GLY CA C 13 44.660 0.001 . 1 . . . . 419 G CA . 17721 1 206 . 1 1 57 57 GLY N N 15 112.516 0.014 . 1 . . . . 419 G N . 17721 1 207 . 1 1 58 58 SER H H 1 7.244 0.000 . 1 . . . . 420 S HN . 17721 1 208 . 1 1 58 58 SER C C 13 173.197 0.032 . 1 . . . . 420 S C . 17721 1 209 . 1 1 58 58 SER CA C 13 58.858 0.002 . 1 . . . . 420 S CA . 17721 1 210 . 1 1 58 58 SER N N 15 113.525 0.025 . 1 . . . . 420 S N . 17721 1 211 . 1 1 59 59 ASP H H 1 8.345 0.000 . 1 . . . . 421 D HN . 17721 1 212 . 1 1 59 59 ASP C C 13 175.440 0.013 . 1 . . . . 421 D C . 17721 1 213 . 1 1 59 59 ASP CA C 13 54.806 0.000 . 1 . . . . 421 D CA . 17721 1 214 . 1 1 59 59 ASP CB C 13 43.744 0.012 . 1 . . . . 421 D CB . 17721 1 215 . 1 1 59 59 ASP N N 15 117.590 0.108 . 1 . . . . 421 D N . 17721 1 216 . 1 1 60 60 TYR H H 1 7.150 0.006 . 1 . . . . 422 Y HN . 17721 1 217 . 1 1 60 60 TYR C C 13 171.174 0.013 . 1 . . . . 422 Y C . 17721 1 218 . 1 1 60 60 TYR CA C 13 55.229 0.000 . 1 . . . . 422 Y CA . 17721 1 219 . 1 1 60 60 TYR CB C 13 39.265 0.002 . 1 . . . . 422 Y CB . 17721 1 220 . 1 1 60 60 TYR N N 15 115.883 0.026 . 1 . . . . 422 Y N . 17721 1 221 . 1 1 61 61 GLU H H 1 8.498 0.008 . 1 . . . . 423 E HN . 17721 1 222 . 1 1 61 61 GLU C C 13 175.455 0.006 . 1 . . . . 423 E C . 17721 1 223 . 1 1 61 61 GLU CA C 13 54.483 0.000 . 1 . . . . 423 E CA . 17721 1 224 . 1 1 61 61 GLU CB C 13 30.064 0.002 . 1 . . . . 423 E CB . 17721 1 225 . 1 1 61 61 GLU N N 15 122.608 0.021 . 1 . . . . 423 E N . 17721 1 226 . 1 1 62 62 PHE H H 1 8.737 0.019 . 1 . . . . 424 F HN . 17721 1 227 . 1 1 62 62 PHE C C 13 175.759 0.003 . 1 . . . . 424 F C . 17721 1 228 . 1 1 62 62 PHE CA C 13 59.330 0.000 . 1 . . . . 424 F CA . 17721 1 229 . 1 1 62 62 PHE CB C 13 37.903 0.002 . 1 . . . . 424 F CB . 17721 1 230 . 1 1 62 62 PHE N N 15 127.938 0.012 . 1 . . . . 424 F N . 17721 1 231 . 1 1 63 63 THR H H 1 7.538 0.017 . 1 . . . . 425 T HN . 17721 1 232 . 1 1 63 63 THR C C 13 169.686 0.021 . 1 . . . . 425 T C . 17721 1 233 . 1 1 63 63 THR CA C 13 61.682 0.000 . 1 . . . . 425 T CA . 17721 1 234 . 1 1 63 63 THR CB C 13 70.716 0.002 . 1 . . . . 425 T CB . 17721 1 235 . 1 1 63 63 THR N N 15 125.128 0.025 . 1 . . . . 425 T N . 17721 1 236 . 1 1 64 64 GLU H H 1 7.729 0.001 . 1 . . . . 426 E HN . 17721 1 237 . 1 1 64 64 GLU C C 13 174.356 0.011 . 1 . . . . 426 E C . 17721 1 238 . 1 1 64 64 GLU CA C 13 53.150 0.000 . 1 . . . . 426 E CA . 17721 1 239 . 1 1 64 64 GLU CB C 13 31.549 0.002 . 1 . . . . 426 E CB . 17721 1 240 . 1 1 64 64 GLU N N 15 122.166 0.016 . 1 . . . . 426 E N . 17721 1 241 . 1 1 65 65 GLY H H 1 7.033 0.004 . 1 . . . . 427 G HN . 17721 1 242 . 1 1 65 65 GLY C C 13 171.000 0.002 . 1 . . . . 427 G C . 17721 1 243 . 1 1 65 65 GLY CA C 13 45.147 0.002 . 1 . . . . 427 G CA . 17721 1 244 . 1 1 65 65 GLY N N 15 107.946 0.031 . 1 . . . . 427 G N . 17721 1 245 . 1 1 66 66 THR H H 1 8.180 0.008 . 1 . . . . 428 T HN . 17721 1 246 . 1 1 66 66 THR C C 13 174.271 0.021 . 1 . . . . 428 T C . 17721 1 247 . 1 1 66 66 THR CA C 13 61.591 0.000 . 1 . . . . 428 T CA . 17721 1 248 . 1 1 66 66 THR CB C 13 72.051 0.002 . 1 . . . . 428 T CB . 17721 1 249 . 1 1 66 66 THR N N 15 117.749 0.018 . 1 . . . . 428 T N . 17721 1 250 . 1 1 67 67 VAL H H 1 9.781 0.009 . 1 . . . . 429 V HN . 17721 1 251 . 1 1 67 67 VAL C C 13 173.088 0.019 . 1 . . . . 429 V C . 17721 1 252 . 1 1 67 67 VAL CA C 13 60.292 0.000 . 1 . . . . 429 V CA . 17721 1 253 . 1 1 67 67 VAL CB C 13 32.642 0.001 . 1 . . . . 429 V CB . 17721 1 254 . 1 1 67 67 VAL N N 15 128.789 0.019 . 1 . . . . 429 V N . 17721 1 255 . 1 1 68 68 VAL H H 1 7.849 0.001 . 1 . . . . 430 V HN . 17721 1 256 . 1 1 68 68 VAL C C 13 175.304 0.036 . 1 . . . . 430 V C . 17721 1 257 . 1 1 68 68 VAL CA C 13 59.610 0.000 . 1 . . . . 430 V CA . 17721 1 258 . 1 1 68 68 VAL CB C 13 32.924 0.002 . 1 . . . . 430 V CB . 17721 1 259 . 1 1 68 68 VAL N N 15 123.992 0.015 . 1 . . . . 430 V N . 17721 1 260 . 1 1 69 69 PHE H H 1 9.501 0.002 . 1 . . . . 431 F HN . 17721 1 261 . 1 1 69 69 PHE C C 13 174.770 0.000 . 1 . . . . 431 F C . 17721 1 262 . 1 1 69 69 PHE CA C 13 56.458 0.000 . 1 . . . . 431 F CA . 17721 1 263 . 1 1 69 69 PHE CB C 13 37.963 0.001 . 1 . . . . 431 F CB . 17721 1 264 . 1 1 69 69 PHE N N 15 126.601 0.020 . 1 . . . . 431 F N . 17721 1 265 . 1 1 70 70 LYS H H 1 8.679 0.000 . 1 . . . . 432 K HN . 17721 1 266 . 1 1 70 70 LYS C C 13 173.849 0.000 . 1 . . . . 432 K C . 17721 1 267 . 1 1 70 70 LYS CA C 13 54.612 0.001 . 1 . . . . 432 K CA . 17721 1 268 . 1 1 70 70 LYS N N 15 123.698 0.019 . 1 . . . . 432 K N . 17721 1 269 . 1 1 71 71 PRO C C 13 178.026 0.000 . 1 . . . . 433 P C . 17721 1 270 . 1 1 71 71 PRO CA C 13 64.319 0.000 . 1 . . . . 433 P CA . 17721 1 271 . 1 1 71 71 PRO CB C 13 30.801 0.000 . 1 . . . . 433 P CB . 17721 1 272 . 1 1 72 72 GLY H H 1 8.831 0.004 . 1 . . . . 434 G HN . 17721 1 273 . 1 1 72 72 GLY C C 13 174.409 0.001 . 1 . . . . 434 G C . 17721 1 274 . 1 1 72 72 GLY CA C 13 44.929 0.002 . 1 . . . . 434 G CA . 17721 1 275 . 1 1 72 72 GLY N N 15 112.105 0.051 . 1 . . . . 434 G N . 17721 1 276 . 1 1 73 73 GLU H H 1 8.194 0.000 . 1 . . . . 435 E HN . 17721 1 277 . 1 1 73 73 GLU C C 13 178.571 0.000 . 1 . . . . 435 E C . 17721 1 278 . 1 1 73 73 GLU CA C 13 57.607 0.006 . 1 . . . . 435 E CA . 17721 1 279 . 1 1 73 73 GLU N N 15 119.398 0.031 . 1 . . . . 435 E N . 17721 1 280 . 1 1 74 74 THR C C 13 173.830 0.000 . 1 . . . . 436 T C . 17721 1 281 . 1 1 74 74 THR CA C 13 61.424 0.000 . 1 . . . . 436 T CA . 17721 1 282 . 1 1 75 75 GLN H H 1 7.663 0.006 . 1 . . . . 437 Q HN . 17721 1 283 . 1 1 75 75 GLN C C 13 174.343 0.027 . 1 . . . . 437 Q C . 17721 1 284 . 1 1 75 75 GLN CA C 13 54.713 0.000 . 1 . . . . 437 Q CA . 17721 1 285 . 1 1 75 75 GLN CB C 13 31.337 0.002 . 1 . . . . 437 Q CB . 17721 1 286 . 1 1 75 75 GLN N N 15 119.508 0.011 . 1 . . . . 437 Q N . 17721 1 287 . 1 1 76 76 LYS H H 1 8.944 0.007 . 1 . . . . 438 K HN . 17721 1 288 . 1 1 76 76 LYS C C 13 173.868 0.024 . 1 . . . . 438 K C . 17721 1 289 . 1 1 76 76 LYS CA C 13 52.697 0.002 . 1 . . . . 438 K CA . 17721 1 290 . 1 1 76 76 LYS N N 15 122.893 0.012 . 1 . . . . 438 K N . 17721 1 291 . 1 1 77 77 GLU H H 1 8.121 0.011 . 1 . . . . 439 E HN . 17721 1 292 . 1 1 77 77 GLU C C 13 176.325 0.000 . 1 . . . . 439 E C . 17721 1 293 . 1 1 77 77 GLU CA C 13 54.398 0.000 . 1 . . . . 439 E CA . 17721 1 294 . 1 1 77 77 GLU CB C 13 32.132 0.009 . 1 . . . . 439 E CB . 17721 1 295 . 1 1 77 77 GLU N N 15 122.126 0.044 . 1 . . . . 439 E N . 17721 1 296 . 1 1 78 78 ILE H H 1 8.498 0.007 . 1 . . . . 440 I HN . 17721 1 297 . 1 1 78 78 ILE C C 13 174.097 0.014 . 1 . . . . 440 I C . 17721 1 298 . 1 1 78 78 ILE CA C 13 58.985 0.004 . 1 . . . . 440 I CA . 17721 1 299 . 1 1 78 78 ILE N N 15 119.515 0.024 . 1 . . . . 440 I N . 17721 1 300 . 1 1 79 79 ARG H H 1 7.819 0.008 . 1 . . . . 441 R HN . 17721 1 301 . 1 1 79 79 ARG C C 13 175.327 0.012 . 1 . . . . 441 R C . 17721 1 302 . 1 1 79 79 ARG CA C 13 53.738 0.002 . 1 . . . . 441 R CA . 17721 1 303 . 1 1 79 79 ARG N N 15 119.660 0.025 . 1 . . . . 441 R N . 17721 1 304 . 1 1 80 80 VAL H H 1 8.219 0.004 . 1 . . . . 442 V HN . 17721 1 305 . 1 1 80 80 VAL C C 13 175.890 0.015 . 1 . . . . 442 V C . 17721 1 306 . 1 1 80 80 VAL CA C 13 60.322 0.000 . 1 . . . . 442 V CA . 17721 1 307 . 1 1 80 80 VAL CB C 13 34.183 0.004 . 1 . . . . 442 V CB . 17721 1 308 . 1 1 80 80 VAL N N 15 121.078 0.029 . 1 . . . . 442 V N . 17721 1 309 . 1 1 81 81 GLY H H 1 9.100 0.006 . 1 . . . . 443 G HN . 17721 1 310 . 1 1 81 81 GLY C C 13 171.581 0.001 . 1 . . . . 443 G C . 17721 1 311 . 1 1 81 81 GLY CA C 13 45.584 0.001 . 1 . . . . 443 G CA . 17721 1 312 . 1 1 81 81 GLY N N 15 115.051 0.024 . 1 . . . . 443 G N . 17721 1 313 . 1 1 82 82 ILE H H 1 8.011 0.006 . 1 . . . . 444 I HN . 17721 1 314 . 1 1 82 82 ILE C C 13 176.767 0.005 . 1 . . . . 444 I C . 17721 1 315 . 1 1 82 82 ILE CA C 13 57.529 0.000 . 1 . . . . 444 I CA . 17721 1 316 . 1 1 82 82 ILE CB C 13 36.412 0.002 . 1 . . . . 444 I CB . 17721 1 317 . 1 1 82 82 ILE N N 15 126.792 0.017 . 1 . . . . 444 I N . 17721 1 318 . 1 1 83 83 ILE H H 1 7.408 0.008 . 1 . . . . 445 I HN . 17721 1 319 . 1 1 83 83 ILE C C 13 174.242 0.024 . 1 . . . . 445 I C . 17721 1 320 . 1 1 83 83 ILE CA C 13 61.228 0.002 . 1 . . . . 445 I CA . 17721 1 321 . 1 1 83 83 ILE N N 15 130.349 0.010 . 1 . . . . 445 I N . 17721 1 322 . 1 1 84 84 ASP H H 1 8.418 0.010 . 1 . . . . 446 D HN . 17721 1 323 . 1 1 84 84 ASP C C 13 175.448 0.028 . 1 . . . . 446 D C . 17721 1 324 . 1 1 84 84 ASP CA C 13 52.637 0.004 . 1 . . . . 446 D CA . 17721 1 325 . 1 1 84 84 ASP N N 15 127.951 0.049 . 1 . . . . 446 D N . 17721 1 326 . 1 1 85 85 ASP H H 1 7.956 0.000 . 1 . . . . 447 D HN . 17721 1 327 . 1 1 85 85 ASP C C 13 175.776 0.009 . 1 . . . . 447 D C . 17721 1 328 . 1 1 85 85 ASP CA C 13 53.539 0.000 . 1 . . . . 447 D CA . 17721 1 329 . 1 1 85 85 ASP CB C 13 41.667 0.013 . 1 . . . . 447 D CB . 17721 1 330 . 1 1 85 85 ASP N N 15 123.960 0.067 . 1 . . . . 447 D N . 17721 1 331 . 1 1 86 86 ASP H H 1 8.299 0.000 . 1 . . . . 448 D HN . 17721 1 332 . 1 1 86 86 ASP C C 13 175.796 0.006 . 1 . . . . 448 D C . 17721 1 333 . 1 1 86 86 ASP CA C 13 54.382 0.000 . 1 . . . . 448 D CA . 17721 1 334 . 1 1 86 86 ASP CB C 13 40.651 0.003 . 1 . . . . 448 D CB . 17721 1 335 . 1 1 86 86 ASP N N 15 119.455 0.019 . 1 . . . . 448 D N . 17721 1 336 . 1 1 87 87 ILE H H 1 7.962 0.000 . 1 . . . . 449 I HN . 17721 1 337 . 1 1 87 87 ILE C C 13 175.295 0.009 . 1 . . . . 449 I C . 17721 1 338 . 1 1 87 87 ILE CA C 13 60.209 0.000 . 1 . . . . 449 I CA . 17721 1 339 . 1 1 87 87 ILE CB C 13 37.740 0.002 . 1 . . . . 449 I CB . 17721 1 340 . 1 1 87 87 ILE N N 15 120.541 0.026 . 1 . . . . 449 I N . 17721 1 341 . 1 1 88 88 PHE H H 1 8.332 0.007 . 1 . . . . 450 F HN . 17721 1 342 . 1 1 88 88 PHE C C 13 174.936 0.000 . 1 . . . . 450 F C . 17721 1 343 . 1 1 88 88 PHE CA C 13 58.056 0.002 . 1 . . . . 450 F CA . 17721 1 344 . 1 1 88 88 PHE N N 15 127.661 0.012 . 1 . . . . 450 F N . 17721 1 345 . 1 1 89 89 GLU H H 1 7.860 0.001 . 1 . . . . 451 E HN . 17721 1 346 . 1 1 89 89 GLU C C 13 174.410 0.007 . 1 . . . . 451 E C . 17721 1 347 . 1 1 89 89 GLU CA C 13 55.434 0.000 . 1 . . . . 451 E CA . 17721 1 348 . 1 1 89 89 GLU CB C 13 30.873 0.003 . 1 . . . . 451 E CB . 17721 1 349 . 1 1 89 89 GLU N N 15 126.377 0.017 . 1 . . . . 451 E N . 17721 1 350 . 1 1 90 90 GLU H H 1 7.676 0.000 . 1 . . . . 452 E HN . 17721 1 351 . 1 1 90 90 GLU C C 13 174.893 0.041 . 1 . . . . 452 E C . 17721 1 352 . 1 1 90 90 GLU CA C 13 55.784 0.000 . 1 . . . . 452 E CA . 17721 1 353 . 1 1 90 90 GLU CB C 13 29.984 0.002 . 1 . . . . 452 E CB . 17721 1 354 . 1 1 90 90 GLU N N 15 118.658 0.029 . 1 . . . . 452 E N . 17721 1 355 . 1 1 91 91 ASP H H 1 8.178 0.017 . 1 . . . . 453 D HN . 17721 1 356 . 1 1 91 91 ASP C C 13 175.525 0.000 . 1 . . . . 453 D C . 17721 1 357 . 1 1 91 91 ASP CA C 13 54.317 0.006 . 1 . . . . 453 D CA . 17721 1 358 . 1 1 91 91 ASP N N 15 119.291 0.050 . 1 . . . . 453 D N . 17721 1 359 . 1 1 92 92 GLU H H 1 8.139 0.006 . 1 . . . . 454 E HN . 17721 1 360 . 1 1 92 92 GLU C C 13 174.686 0.000 . 1 . . . . 454 E C . 17721 1 361 . 1 1 92 92 GLU CA C 13 54.694 0.004 . 1 . . . . 454 E CA . 17721 1 362 . 1 1 92 92 GLU N N 15 120.623 0.116 . 1 . . . . 454 E N . 17721 1 363 . 1 1 93 93 ASN H H 1 8.199 0.008 . 1 . . . . 455 N HN . 17721 1 364 . 1 1 93 93 ASN C C 13 174.038 0.028 . 1 . . . . 455 N C . 17721 1 365 . 1 1 93 93 ASN CA C 13 50.809 0.000 . 1 . . . . 455 N CA . 17721 1 366 . 1 1 93 93 ASN CB C 13 42.175 0.012 . 1 . . . . 455 N CB . 17721 1 367 . 1 1 93 93 ASN N N 15 117.716 0.011 . 1 . . . . 455 N N . 17721 1 368 . 1 1 94 94 PHE H H 1 8.661 0.014 . 1 . . . . 456 F HN . 17721 1 369 . 1 1 94 94 PHE C C 13 170.998 0.023 . 1 . . . . 456 F C . 17721 1 370 . 1 1 94 94 PHE CA C 13 56.349 0.000 . 1 . . . . 456 F CA . 17721 1 371 . 1 1 94 94 PHE CB C 13 40.112 0.002 . 1 . . . . 456 F CB . 17721 1 372 . 1 1 94 94 PHE N N 15 116.997 0.033 . 1 . . . . 456 F N . 17721 1 373 . 1 1 95 95 LEU H H 1 8.949 0.005 . 1 . . . . 457 L HN . 17721 1 374 . 1 1 95 95 LEU C C 13 176.669 0.017 . 1 . . . . 457 L C . 17721 1 375 . 1 1 95 95 LEU CA C 13 52.957 0.000 . 1 . . . . 457 L CA . 17721 1 376 . 1 1 95 95 LEU CB C 13 44.484 0.002 . 1 . . . . 457 L CB . 17721 1 377 . 1 1 95 95 LEU N N 15 119.412 0.020 . 1 . . . . 457 L N . 17721 1 378 . 1 1 96 96 VAL H H 1 8.372 0.007 . 1 . . . . 458 V HN . 17721 1 379 . 1 1 96 96 VAL C C 13 174.461 0.035 . 1 . . . . 458 V C . 17721 1 380 . 1 1 96 96 VAL CA C 13 60.910 0.002 . 1 . . . . 458 V CA . 17721 1 381 . 1 1 96 96 VAL N N 15 117.842 0.013 . 1 . . . . 458 V N . 17721 1 382 . 1 1 97 97 HIS H H 1 8.928 0.009 . 1 . . . . 459 H HN . 17721 1 383 . 1 1 97 97 HIS C C 13 177.101 0.014 . 1 . . . . 459 H C . 17721 1 384 . 1 1 97 97 HIS CA C 13 54.795 0.000 . 1 . . . . 459 H CA . 17721 1 385 . 1 1 97 97 HIS CB C 13 34.038 0.005 . 1 . . . . 459 H CB . 17721 1 386 . 1 1 97 97 HIS N N 15 123.961 0.030 . 1 . . . . 459 H N . 17721 1 387 . 1 1 98 98 LEU H H 1 8.704 0.014 . 1 . . . . 460 L HN . 17721 1 388 . 1 1 98 98 LEU C C 13 176.716 0.030 . 1 . . . . 460 L C . 17721 1 389 . 1 1 98 98 LEU CA C 13 52.854 0.000 . 1 . . . . 460 L CA . 17721 1 390 . 1 1 98 98 LEU CB C 13 42.817 0.002 . 1 . . . . 460 L CB . 17721 1 391 . 1 1 98 98 LEU N N 15 122.539 0.033 . 1 . . . . 460 L N . 17721 1 392 . 1 1 99 99 SER H H 1 8.830 0.008 . 1 . . . . 461 S HN . 17721 1 393 . 1 1 99 99 SER C C 13 172.538 0.022 . 1 . . . . 461 S C . 17721 1 394 . 1 1 99 99 SER CA C 13 57.719 0.000 . 1 . . . . 461 S CA . 17721 1 395 . 1 1 99 99 SER CB C 13 65.349 0.001 . 1 . . . . 461 S CB . 17721 1 396 . 1 1 99 99 SER N N 15 112.302 0.081 . 1 . . . . 461 S N . 17721 1 397 . 1 1 100 100 ASN H H 1 8.555 0.006 . 1 . . . . 462 N HN . 17721 1 398 . 1 1 100 100 ASN C C 13 173.287 0.000 . 1 . . . . 462 N C . 17721 1 399 . 1 1 100 100 ASN CA C 13 53.153 0.002 . 1 . . . . 462 N CA . 17721 1 400 . 1 1 100 100 ASN N N 15 116.155 0.019 . 1 . . . . 462 N N . 17721 1 401 . 1 1 101 101 VAL H H 1 7.929 0.010 . 1 . . . . 463 V HN . 17721 1 402 . 1 1 101 101 VAL C C 13 177.354 0.025 . 1 . . . . 463 V C . 17721 1 403 . 1 1 101 101 VAL CA C 13 62.557 0.000 . 1 . . . . 463 V CA . 17721 1 404 . 1 1 101 101 VAL CB C 13 30.756 0.002 . 1 . . . . 463 V CB . 17721 1 405 . 1 1 101 101 VAL N N 15 118.452 0.024 . 1 . . . . 463 V N . 17721 1 406 . 1 1 102 102 LYS H H 1 9.139 0.005 . 1 . . . . 464 K HN . 17721 1 407 . 1 1 102 102 LYS CA C 13 54.448 0.000 . 1 . . . . 464 K CA . 17721 1 408 . 1 1 102 102 LYS CB C 13 36.104 0.003 . 1 . . . . 464 K CB . 17721 1 409 . 1 1 102 102 LYS N N 15 129.686 0.026 . 1 . . . . 464 K N . 17721 1 410 . 1 1 103 103 VAL H H 1 8.558 0.014 . 1 . . . . 465 V HN . 17721 1 411 . 1 1 103 103 VAL C C 13 175.630 0.019 . 1 . . . . 465 V C . 17721 1 412 . 1 1 103 103 VAL CA C 13 60.098 0.000 . 1 . . . . 465 V CA . 17721 1 413 . 1 1 103 103 VAL CB C 13 33.747 0.002 . 1 . . . . 465 V CB . 17721 1 414 . 1 1 103 103 VAL N N 15 120.436 0.029 . 1 . . . . 465 V N . 17721 1 415 . 1 1 104 104 SER H H 1 8.754 0.000 . 1 . . . . 466 S HN . 17721 1 416 . 1 1 104 104 SER C C 13 173.975 0.043 . 1 . . . . 466 S C . 17721 1 417 . 1 1 104 104 SER CA C 13 57.485 0.002 . 1 . . . . 466 S CA . 17721 1 418 . 1 1 104 104 SER N N 15 121.039 0.011 . 1 . . . . 466 S N . 17721 1 419 . 1 1 105 105 SER H H 1 8.446 0.001 . 1 . . . . 467 S HN . 17721 1 420 . 1 1 105 105 SER C C 13 174.480 0.000 . 1 . . . . 467 S C . 17721 1 421 . 1 1 105 105 SER CB C 13 63.737 0.012 . 1 . . . . 467 S CB . 17721 1 422 . 1 1 105 105 SER N N 15 120.156 0.066 . 1 . . . . 467 S N . 17721 1 423 . 1 1 106 106 GLU H H 1 8.356 0.000 . 1 . . . . 468 E HN . 17721 1 424 . 1 1 106 106 GLU C C 13 176.244 0.004 . 1 . . . . 468 E C . 17721 1 425 . 1 1 106 106 GLU CA C 13 56.311 0.002 . 1 . . . . 468 E CA . 17721 1 426 . 1 1 106 106 GLU N N 15 123.245 0.048 . 1 . . . . 468 E N . 17721 1 427 . 1 1 107 107 ALA H H 1 8.182 0.007 . 1 . . . . 469 A HN . 17721 1 428 . 1 1 107 107 ALA C C 13 177.575 0.003 . 1 . . . . 469 A C . 17721 1 429 . 1 1 107 107 ALA CA C 13 51.962 0.000 . 1 . . . . 469 A CA . 17721 1 430 . 1 1 107 107 ALA CB C 13 18.445 0.002 . 1 . . . . 469 A CB . 17721 1 431 . 1 1 107 107 ALA N N 15 124.413 0.022 . 1 . . . . 469 A N . 17721 1 432 . 1 1 108 108 SER H H 1 8.010 0.000 . 1 . . . . 470 S HN . 17721 1 433 . 1 1 108 108 SER C C 13 175.168 0.000 . 1 . . . . 470 S C . 17721 1 434 . 1 1 108 108 SER CA C 13 57.740 0.002 . 1 . . . . 470 S CA . 17721 1 435 . 1 1 108 108 SER N N 15 115.286 0.034 . 1 . . . . 470 S N . 17721 1 436 . 1 1 120 120 ALA CA C 13 52.208 0.000 . 1 . . . . 482 A CA . 17721 1 437 . 1 1 120 120 ALA CB C 13 18.188 0.000 . 1 . . . . 482 A CB . 17721 1 438 . 1 1 121 121 LEU H H 1 8.019 0.025 . 1 . . . . 483 L HN . 17721 1 439 . 1 1 121 121 LEU C C 13 177.111 0.022 . 1 . . . . 483 L C . 17721 1 440 . 1 1 121 121 LEU CA C 13 55.145 0.000 . 1 . . . . 483 L CA . 17721 1 441 . 1 1 121 121 LEU CB C 13 42.317 0.004 . 1 . . . . 483 L CB . 17721 1 442 . 1 1 121 121 LEU N N 15 117.246 0.038 . 1 . . . . 483 L N . 17721 1 443 . 1 1 122 122 ALA H H 1 7.685 0.007 . 1 . . . . 484 A HN . 17721 1 444 . 1 1 122 122 ALA C C 13 174.591 0.004 . 1 . . . . 484 A C . 17721 1 445 . 1 1 122 122 ALA CA C 13 50.720 0.000 . 1 . . . . 484 A CA . 17721 1 446 . 1 1 122 122 ALA CB C 13 20.861 0.003 . 1 . . . . 484 A CB . 17721 1 447 . 1 1 122 122 ALA N N 15 121.652 0.026 . 1 . . . . 484 A N . 17721 1 448 . 1 1 123 123 CYS H H 1 8.743 0.002 . 1 . . . . 485 C HN . 17721 1 449 . 1 1 123 123 CYS C C 13 172.385 0.002 . 1 . . . . 485 C C . 17721 1 450 . 1 1 123 123 CYS CA C 13 55.351 0.000 . 1 . . . . 485 C CA . 17721 1 451 . 1 1 123 123 CYS CB C 13 31.057 0.002 . 1 . . . . 485 C CB . 17721 1 452 . 1 1 123 123 CYS N N 15 115.855 0.012 . 1 . . . . 485 C N . 17721 1 453 . 1 1 124 124 LEU H H 1 8.497 0.014 . 1 . . . . 486 L HN . 17721 1 454 . 1 1 124 124 LEU C C 13 178.500 0.000 . 1 . . . . 486 L C . 17721 1 455 . 1 1 124 124 LEU CA C 13 55.119 0.000 . 1 . . . . 486 L CA . 17721 1 456 . 1 1 124 124 LEU CB C 13 41.404 0.002 . 1 . . . . 486 L CB . 17721 1 457 . 1 1 124 124 LEU N N 15 120.570 0.010 . 1 . . . . 486 L N . 17721 1 458 . 1 1 125 125 GLY H H 1 9.020 0.008 . 1 . . . . 487 G HN . 17721 1 459 . 1 1 125 125 GLY C C 13 171.481 0.012 . 1 . . . . 487 G C . 17721 1 460 . 1 1 125 125 GLY CA C 13 43.160 0.001 . 1 . . . . 487 G CA . 17721 1 461 . 1 1 125 125 GLY N N 15 112.148 0.016 . 1 . . . . 487 G N . 17721 1 462 . 1 1 126 126 SER H H 1 7.693 0.000 . 1 . . . . 488 S HN . 17721 1 463 . 1 1 126 126 SER C C 13 172.164 0.000 . 1 . . . . 488 S C . 17721 1 464 . 1 1 126 126 SER CA C 13 54.165 0.002 . 1 . . . . 488 S CA . 17721 1 465 . 1 1 126 126 SER N N 15 114.880 0.019 . 1 . . . . 488 S N . 17721 1 466 . 1 1 127 127 PRO C C 13 175.995 0.000 . 1 . . . . 489 P C . 17721 1 467 . 1 1 127 127 PRO CA C 13 62.638 0.000 . 1 . . . . 489 P CA . 17721 1 468 . 1 1 128 128 SER H H 1 9.292 0.004 . 1 . . . . 490 S HN . 17721 1 469 . 1 1 128 128 SER C C 13 172.458 0.020 . 1 . . . . 490 S C . 17721 1 470 . 1 1 128 128 SER CA C 13 57.890 0.000 . 1 . . . . 490 S CA . 17721 1 471 . 1 1 128 128 SER CB C 13 63.329 0.004 . 1 . . . . 490 S CB . 17721 1 472 . 1 1 128 128 SER N N 15 117.793 0.052 . 1 . . . . 490 S N . 17721 1 473 . 1 1 129 129 THR H H 1 7.694 0.000 . 1 . . . . 491 T HN . 17721 1 474 . 1 1 129 129 THR C C 13 172.464 0.042 . 1 . . . . 491 T C . 17721 1 475 . 1 1 129 129 THR CA C 13 62.205 0.000 . 1 . . . . 491 T CA . 17721 1 476 . 1 1 129 129 THR CB C 13 72.681 0.008 . 1 . . . . 491 T CB . 17721 1 477 . 1 1 129 129 THR N N 15 120.412 0.094 . 1 . . . . 491 T N . 17721 1 478 . 1 1 130 130 ALA H H 1 8.834 0.009 . 1 . . . . 492 A HN . 17721 1 479 . 1 1 130 130 ALA C C 13 175.877 0.006 . 1 . . . . 492 A C . 17721 1 480 . 1 1 130 130 ALA CA C 13 48.837 0.000 . 1 . . . . 492 A CA . 17721 1 481 . 1 1 130 130 ALA CB C 13 19.189 0.001 . 1 . . . . 492 A CB . 17721 1 482 . 1 1 130 130 ALA N N 15 129.071 0.020 . 1 . . . . 492 A N . 17721 1 483 . 1 1 131 131 THR H H 1 7.935 0.018 . 1 . . . . 493 T HN . 17721 1 484 . 1 1 131 131 THR C C 13 173.601 0.034 . 1 . . . . 493 T C . 17721 1 485 . 1 1 131 131 THR CA C 13 61.149 0.000 . 1 . . . . 493 T CA . 17721 1 486 . 1 1 131 131 THR CB C 13 69.318 0.002 . 1 . . . . 493 T CB . 17721 1 487 . 1 1 131 131 THR N N 15 116.113 0.016 . 1 . . . . 493 T N . 17721 1 488 . 1 1 132 132 VAL H H 1 8.793 0.010 . 1 . . . . 494 V HN . 17721 1 489 . 1 1 132 132 VAL C C 13 174.388 0.028 . 1 . . . . 494 V C . 17721 1 490 . 1 1 132 132 VAL CA C 13 59.876 0.001 . 1 . . . . 494 V CA . 17721 1 491 . 1 1 132 132 VAL N N 15 129.733 0.022 . 1 . . . . 494 V N . 17721 1 492 . 1 1 133 133 THR H H 1 8.375 0.013 . 1 . . . . 495 T HN . 17721 1 493 . 1 1 133 133 THR C C 13 172.299 0.000 . 1 . . . . 495 T C . 17721 1 494 . 1 1 133 133 THR CA C 13 61.100 0.008 . 1 . . . . 495 T CA . 17721 1 495 . 1 1 133 133 THR N N 15 122.602 0.016 . 1 . . . . 495 T N . 17721 1 496 . 1 1 134 134 ILE H H 1 8.498 0.000 . 1 . . . . 496 I HN . 17721 1 497 . 1 1 134 134 ILE C C 13 175.207 0.010 . 1 . . . . 496 I C . 17721 1 498 . 1 1 134 134 ILE CA C 13 59.949 0.006 . 1 . . . . 496 I CA . 17721 1 499 . 1 1 134 134 ILE N N 15 127.641 0.075 . 1 . . . . 496 I N . 17721 1 500 . 1 1 135 135 PHE H H 1 8.910 0.000 . 1 . . . . 497 F HN . 17721 1 501 . 1 1 135 135 PHE C C 13 174.143 0.000 . 1 . . . . 497 F C . 17721 1 502 . 1 1 135 135 PHE CA C 13 55.890 0.001 . 1 . . . . 497 F CA . 17721 1 503 . 1 1 135 135 PHE N N 15 125.146 0.034 . 1 . . . . 497 F N . 17721 1 504 . 1 1 142 142 ILE C C 13 177.690 0.000 . 1 . . . . 504 I C . 17721 1 505 . 1 1 142 142 ILE CA C 13 59.916 0.000 . 1 . . . . 504 I CA . 17721 1 506 . 1 1 142 142 ILE CB C 13 36.803 0.000 . 1 . . . . 504 I CB . 17721 1 507 . 1 1 143 143 PHE H H 1 8.720 0.018 . 1 . . . . 505 F HN . 17721 1 508 . 1 1 143 143 PHE C C 13 175.062 0.007 . 1 . . . . 505 F C . 17721 1 509 . 1 1 143 143 PHE CA C 13 57.252 0.000 . 1 . . . . 505 F CA . 17721 1 510 . 1 1 143 143 PHE CB C 13 40.166 0.005 . 1 . . . . 505 F CB . 17721 1 511 . 1 1 143 143 PHE N N 15 127.508 0.055 . 1 . . . . 505 F N . 17721 1 512 . 1 1 144 144 THR H H 1 8.664 0.011 . 1 . . . . 506 T HN . 17721 1 513 . 1 1 144 144 THR C C 13 172.185 0.016 . 1 . . . . 506 T C . 17721 1 514 . 1 1 144 144 THR CA C 13 59.301 0.000 . 1 . . . . 506 T CA . 17721 1 515 . 1 1 144 144 THR CB C 13 70.469 0.003 . 1 . . . . 506 T CB . 17721 1 516 . 1 1 144 144 THR N N 15 117.386 0.023 . 1 . . . . 506 T N . 17721 1 517 . 1 1 145 145 PHE H H 1 8.889 0.009 . 1 . . . . 507 F HN . 17721 1 518 . 1 1 145 145 PHE C C 13 178.185 0.036 . 1 . . . . 507 F C . 17721 1 519 . 1 1 145 145 PHE CA C 13 59.091 0.000 . 1 . . . . 507 F CA . 17721 1 520 . 1 1 145 145 PHE CB C 13 39.011 0.002 . 1 . . . . 507 F CB . 17721 1 521 . 1 1 145 145 PHE N N 15 123.931 0.036 . 1 . . . . 507 F N . 17721 1 522 . 1 1 146 146 GLU H H 1 9.954 0.006 . 1 . . . . 508 E HN . 17721 1 523 . 1 1 146 146 GLU C C 13 175.589 0.020 . 1 . . . . 508 E C . 17721 1 524 . 1 1 146 146 GLU CA C 13 59.005 0.000 . 1 . . . . 508 E CA . 17721 1 525 . 1 1 146 146 GLU CB C 13 30.620 0.004 . 1 . . . . 508 E CB . 17721 1 526 . 1 1 146 146 GLU N N 15 121.874 0.030 . 1 . . . . 508 E N . 17721 1 527 . 1 1 147 147 GLU H H 1 7.344 0.000 . 1 . . . . 509 E HN . 17721 1 528 . 1 1 147 147 GLU C C 13 173.657 0.000 . 1 . . . . 509 E C . 17721 1 529 . 1 1 147 147 GLU CA C 13 51.911 0.002 . 1 . . . . 509 E CA . 17721 1 530 . 1 1 147 147 GLU N N 15 112.682 0.025 . 1 . . . . 509 E N . 17721 1 531 . 1 1 148 148 PRO C C 13 176.239 0.000 . 1 . . . . 510 P C . 17721 1 532 . 1 1 148 148 PRO CA C 13 62.736 0.000 . 1 . . . . 510 P CA . 17721 1 533 . 1 1 148 148 PRO CB C 13 30.740 0.000 . 1 . . . . 510 P CB . 17721 1 534 . 1 1 149 149 VAL H H 1 6.673 0.007 . 1 . . . . 511 V HN . 17721 1 535 . 1 1 149 149 VAL C C 13 173.934 0.000 . 1 . . . . 511 V C . 17721 1 536 . 1 1 149 149 VAL CA C 13 59.260 0.000 . 1 . . . . 511 V CA . 17721 1 537 . 1 1 149 149 VAL CB C 13 34.633 0.002 . 1 . . . . 511 V CB . 17721 1 538 . 1 1 149 149 VAL N N 15 120.066 0.018 . 1 . . . . 511 V N . 17721 1 539 . 1 1 150 150 THR H H 1 8.619 0.006 . 1 . . . . 512 T HN . 17721 1 540 . 1 1 150 150 THR C C 13 170.467 0.005 . 1 . . . . 512 T C . 17721 1 541 . 1 1 150 150 THR CA C 13 60.383 0.000 . 1 . . . . 512 T CA . 17721 1 542 . 1 1 150 150 THR CB C 13 69.817 0.005 . 1 . . . . 512 T CB . 17721 1 543 . 1 1 150 150 THR N N 15 121.830 0.062 . 1 . . . . 512 T N . 17721 1 544 . 1 1 151 151 HIS H H 1 7.933 0.007 . 1 . . . . 513 H HN . 17721 1 545 . 1 1 151 151 HIS C C 13 174.553 0.004 . 1 . . . . 513 H C . 17721 1 546 . 1 1 151 151 HIS CA C 13 53.951 0.000 . 1 . . . . 513 H CA . 17721 1 547 . 1 1 151 151 HIS CB C 13 29.802 0.003 . 1 . . . . 513 H CB . 17721 1 548 . 1 1 151 151 HIS N N 15 124.065 0.021 . 1 . . . . 513 H N . 17721 1 549 . 1 1 152 152 VAL H H 1 9.078 0.006 . 1 . . . . 514 V HN . 17721 1 550 . 1 1 152 152 VAL C C 13 173.404 0.014 . 1 . . . . 514 V C . 17721 1 551 . 1 1 152 152 VAL CA C 13 58.365 0.000 . 1 . . . . 514 V CA . 17721 1 552 . 1 1 152 152 VAL CB C 13 34.824 0.001 . 1 . . . . 514 V CB . 17721 1 553 . 1 1 152 152 VAL N N 15 119.181 0.011 . 1 . . . . 514 V N . 17721 1 554 . 1 1 153 153 SER H H 1 8.013 0.038 . 1 . . . . 515 S HN . 17721 1 555 . 1 1 153 153 SER C C 13 176.390 0.014 . 1 . . . . 515 S C . 17721 1 556 . 1 1 153 153 SER CA C 13 56.799 0.000 . 1 . . . . 515 S CA . 17721 1 557 . 1 1 153 153 SER CB C 13 63.830 0.002 . 1 . . . . 515 S CB . 17721 1 558 . 1 1 153 153 SER N N 15 117.219 0.017 . 1 . . . . 515 S N . 17721 1 559 . 1 1 154 154 GLU H H 1 8.537 0.009 . 1 . . . . 516 E HN . 17721 1 560 . 1 1 154 154 GLU C C 13 175.435 0.002 . 1 . . . . 516 E C . 17721 1 561 . 1 1 154 154 GLU CA C 13 57.578 0.000 . 1 . . . . 516 E CA . 17721 1 562 . 1 1 154 154 GLU CB C 13 27.287 0.003 . 1 . . . . 516 E CB . 17721 1 563 . 1 1 154 154 GLU N N 15 123.368 0.047 . 1 . . . . 516 E N . 17721 1 564 . 1 1 155 155 SER H H 1 7.698 0.007 . 1 . . . . 517 S HN . 17721 1 565 . 1 1 155 155 SER C C 13 175.226 0.042 . 1 . . . . 517 S C . 17721 1 566 . 1 1 155 155 SER CA C 13 57.181 0.000 . 1 . . . . 517 S CA . 17721 1 567 . 1 1 155 155 SER CB C 13 63.226 0.002 . 1 . . . . 517 S CB . 17721 1 568 . 1 1 155 155 SER N N 15 112.700 0.026 . 1 . . . . 517 S N . 17721 1 569 . 1 1 156 156 ILE H H 1 7.468 0.007 . 1 . . . . 518 I HN . 17721 1 570 . 1 1 156 156 ILE C C 13 174.637 0.022 . 1 . . . . 518 I C . 17721 1 571 . 1 1 156 156 ILE CA C 13 62.121 0.000 . 1 . . . . 518 I CA . 17721 1 572 . 1 1 156 156 ILE CB C 13 37.822 0.002 . 1 . . . . 518 I CB . 17721 1 573 . 1 1 156 156 ILE N N 15 122.303 0.019 . 1 . . . . 518 I N . 17721 1 574 . 1 1 157 157 GLY H H 1 8.474 0.003 . 1 . . . . 519 G HN . 17721 1 575 . 1 1 157 157 GLY C C 13 172.357 0.005 . 1 . . . . 519 G C . 17721 1 576 . 1 1 157 157 GLY CA C 13 45.733 0.002 . 1 . . . . 519 G CA . 17721 1 577 . 1 1 157 157 GLY N N 15 113.127 0.030 . 1 . . . . 519 G N . 17721 1 578 . 1 1 158 158 ILE H H 1 7.676 0.009 . 1 . . . . 520 I HN . 17721 1 579 . 1 1 158 158 ILE C C 13 175.199 0.015 . 1 . . . . 520 I C . 17721 1 580 . 1 1 158 158 ILE CA C 13 59.403 0.000 . 1 . . . . 520 I CA . 17721 1 581 . 1 1 158 158 ILE CB C 13 38.396 0.002 . 1 . . . . 520 I CB . 17721 1 582 . 1 1 158 158 ILE N N 15 125.734 0.013 . 1 . . . . 520 I N . 17721 1 583 . 1 1 159 159 MET H H 1 9.019 0.012 . 1 . . . . 521 M HN . 17721 1 584 . 1 1 159 159 MET C C 13 173.698 0.003 . 1 . . . . 521 M C . 17721 1 585 . 1 1 159 159 MET CA C 13 53.901 0.000 . 1 . . . . 521 M CA . 17721 1 586 . 1 1 159 159 MET CB C 13 33.966 0.001 . 1 . . . . 521 M CB . 17721 1 587 . 1 1 159 159 MET N N 15 128.400 0.008 . 1 . . . . 521 M N . 17721 1 588 . 1 1 160 160 GLU H H 1 8.268 0.000 . 1 . . . . 522 E HN . 17721 1 589 . 1 1 160 160 GLU C C 13 175.891 0.032 . 1 . . . . 522 E C . 17721 1 590 . 1 1 160 160 GLU CA C 13 54.470 0.000 . 1 . . . . 522 E CA . 17721 1 591 . 1 1 160 160 GLU CB C 13 31.322 0.002 . 1 . . . . 522 E CB . 17721 1 592 . 1 1 160 160 GLU N N 15 124.098 0.013 . 1 . . . . 522 E N . 17721 1 593 . 1 1 161 161 VAL H H 1 8.918 0.014 . 1 . . . . 523 V HN . 17721 1 594 . 1 1 161 161 VAL C C 13 174.841 0.017 . 1 . . . . 523 V C . 17721 1 595 . 1 1 161 161 VAL CA C 13 59.962 0.000 . 1 . . . . 523 V CA . 17721 1 596 . 1 1 161 161 VAL CB C 13 33.813 0.003 . 1 . . . . 523 V CB . 17721 1 597 . 1 1 161 161 VAL N N 15 123.919 0.024 . 1 . . . . 523 V N . 17721 1 598 . 1 1 162 162 LYS H H 1 8.562 0.002 . 1 . . . . 524 K HN . 17721 1 599 . 1 1 162 162 LYS C C 13 175.804 0.007 . 1 . . . . 524 K C . 17721 1 600 . 1 1 162 162 LYS CA C 13 56.431 0.000 . 1 . . . . 524 K CA . 17721 1 601 . 1 1 162 162 LYS CB C 13 33.511 0.001 . 1 . . . . 524 K CB . 17721 1 602 . 1 1 162 162 LYS N N 15 124.559 0.016 . 1 . . . . 524 K N . 17721 1 603 . 1 1 163 163 VAL H H 1 8.761 0.001 . 1 . . . . 525 V HN . 17721 1 604 . 1 1 163 163 VAL C C 13 174.104 0.028 . 1 . . . . 525 V C . 17721 1 605 . 1 1 163 163 VAL CA C 13 62.262 0.000 . 1 . . . . 525 V CA . 17721 1 606 . 1 1 163 163 VAL CB C 13 32.036 0.002 . 1 . . . . 525 V CB . 17721 1 607 . 1 1 163 163 VAL N N 15 122.206 0.009 . 1 . . . . 525 V N . 17721 1 608 . 1 1 164 164 LEU H H 1 8.742 0.015 . 1 . . . . 526 L HN . 17721 1 609 . 1 1 164 164 LEU C C 13 174.375 0.015 . 1 . . . . 526 L C . 17721 1 610 . 1 1 164 164 LEU CA C 13 53.589 0.000 . 1 . . . . 526 L CA . 17721 1 611 . 1 1 164 164 LEU CB C 13 42.283 0.001 . 1 . . . . 526 L CB . 17721 1 612 . 1 1 164 164 LEU N N 15 125.413 0.016 . 1 . . . . 526 L N . 17721 1 613 . 1 1 165 165 ARG H H 1 7.868 0.000 . 1 . . . . 527 R HN . 17721 1 614 . 1 1 165 165 ARG C C 13 175.264 0.048 . 1 . . . . 527 R C . 17721 1 615 . 1 1 165 165 ARG CA C 13 53.362 0.004 . 1 . . . . 527 R CA . 17721 1 616 . 1 1 165 165 ARG N N 15 123.325 0.086 . 1 . . . . 527 R N . 17721 1 617 . 1 1 166 166 THR H H 1 8.611 0.000 . 1 . . . . 528 T HN . 17721 1 618 . 1 1 166 166 THR C C 13 174.199 0.023 . 1 . . . . 528 T C . 17721 1 619 . 1 1 166 166 THR CA C 13 59.557 0.000 . 1 . . . . 528 T CA . 17721 1 620 . 1 1 166 166 THR CB C 13 71.107 0.002 . 1 . . . . 528 T CB . 17721 1 621 . 1 1 166 166 THR N N 15 118.132 0.026 . 1 . . . . 528 T N . 17721 1 622 . 1 1 167 167 SER H H 1 8.448 0.010 . 1 . . . . 529 S HN . 17721 1 623 . 1 1 167 167 SER CA C 13 61.491 0.002 . 1 . . . . 529 S CA . 17721 1 624 . 1 1 167 167 SER N N 15 111.947 0.059 . 1 . . . . 529 S N . 17721 1 625 . 1 1 168 168 GLY H H 1 7.499 0.002 . 1 . . . . 530 G HN . 17721 1 626 . 1 1 168 168 GLY C C 13 171.392 0.016 . 1 . . . . 530 G C . 17721 1 627 . 1 1 168 168 GLY CA C 13 45.109 0.002 . 1 . . . . 530 G CA . 17721 1 628 . 1 1 168 168 GLY N N 15 109.002 0.018 . 1 . . . . 530 G N . 17721 1 629 . 1 1 169 169 ALA H H 1 8.201 0.019 . 1 . . . . 531 A HN . 17721 1 630 . 1 1 169 169 ALA CA C 13 49.386 0.015 . 1 . . . . 531 A CA . 17721 1 631 . 1 1 169 169 ALA N N 15 122.604 0.056 . 1 . . . . 531 A N . 17721 1 632 . 1 1 170 170 ARG H H 1 7.825 0.000 . 1 . . . . 532 R HN . 17721 1 633 . 1 1 170 170 ARG C C 13 176.454 0.031 . 1 . . . . 532 R C . 17721 1 634 . 1 1 170 170 ARG CA C 13 55.456 0.000 . 1 . . . . 532 R CA . 17721 1 635 . 1 1 170 170 ARG CB C 13 28.769 0.019 . 1 . . . . 532 R CB . 17721 1 636 . 1 1 170 170 ARG N N 15 120.760 0.035 . 1 . . . . 532 R N . 17721 1 637 . 1 1 171 171 GLY H H 1 8.703 0.012 . 1 . . . . 533 G HN . 17721 1 638 . 1 1 171 171 GLY C C 13 172.293 0.008 . 1 . . . . 533 G C . 17721 1 639 . 1 1 171 171 GLY CA C 13 43.149 0.002 . 1 . . . . 533 G CA . 17721 1 640 . 1 1 171 171 GLY N N 15 113.564 0.047 . 1 . . . . 533 G N . 17721 1 641 . 1 1 172 172 ASN H H 1 8.269 0.009 . 1 . . . . 534 N HN . 17721 1 642 . 1 1 172 172 ASN C C 13 174.273 0.009 . 1 . . . . 534 N C . 17721 1 643 . 1 1 172 172 ASN CA C 13 51.450 0.000 . 1 . . . . 534 N CA . 17721 1 644 . 1 1 172 172 ASN CB C 13 38.590 0.007 . 1 . . . . 534 N CB . 17721 1 645 . 1 1 172 172 ASN N N 15 119.343 0.122 . 1 . . . . 534 N N . 17721 1 646 . 1 1 173 173 VAL H H 1 8.956 0.003 . 1 . . . . 535 V HN . 17721 1 647 . 1 1 173 173 VAL C C 13 173.973 0.025 . 1 . . . . 535 V C . 17721 1 648 . 1 1 173 173 VAL CA C 13 59.962 0.000 . 1 . . . . 535 V CA . 17721 1 649 . 1 1 173 173 VAL CB C 13 35.861 0.002 . 1 . . . . 535 V CB . 17721 1 650 . 1 1 173 173 VAL N N 15 124.676 0.015 . 1 . . . . 535 V N . 17721 1 651 . 1 1 174 174 ILE H H 1 8.812 0.007 . 1 . . . . 536 I HN . 17721 1 652 . 1 1 174 174 ILE C C 13 175.439 0.001 . 1 . . . . 536 I C . 17721 1 653 . 1 1 174 174 ILE CA C 13 58.309 0.000 . 1 . . . . 536 I CA . 17721 1 654 . 1 1 174 174 ILE CB C 13 38.588 0.002 . 1 . . . . 536 I CB . 17721 1 655 . 1 1 174 174 ILE N N 15 126.779 0.012 . 1 . . . . 536 I N . 17721 1 656 . 1 1 175 175 VAL H H 1 8.922 0.000 . 1 . . . . 537 V HN . 17721 1 657 . 1 1 175 175 VAL C C 13 173.744 0.002 . 1 . . . . 537 V C . 17721 1 658 . 1 1 175 175 VAL N N 15 126.806 0.029 . 1 . . . . 537 V N . 17721 1 659 . 1 1 176 176 PRO C C 13 175.573 0.000 . 1 . . . . 538 P C . 17721 1 660 . 1 1 176 176 PRO CA C 13 61.709 0.031 . 1 . . . . 538 P CA . 17721 1 661 . 1 1 176 176 PRO CB C 13 31.971 0.000 . 1 . . . . 538 P CB . 17721 1 662 . 1 1 177 177 TYR H H 1 8.277 0.011 . 1 . . . . 539 Y HN . 17721 1 663 . 1 1 177 177 TYR C C 13 174.456 0.006 . 1 . . . . 539 Y C . 17721 1 664 . 1 1 177 177 TYR CA C 13 55.815 0.000 . 1 . . . . 539 Y CA . 17721 1 665 . 1 1 177 177 TYR CB C 13 42.410 0.002 . 1 . . . . 539 Y CB . 17721 1 666 . 1 1 177 177 TYR N N 15 115.475 0.025 . 1 . . . . 539 Y N . 17721 1 667 . 1 1 178 178 LYS H H 1 8.570 0.009 . 1 . . . . 540 K HN . 17721 1 668 . 1 1 178 178 LYS C C 13 174.931 0.045 . 1 . . . . 540 K C . 17721 1 669 . 1 1 178 178 LYS CA C 13 55.524 0.000 . 1 . . . . 540 K CA . 17721 1 670 . 1 1 178 178 LYS CB C 13 34.157 0.003 . 1 . . . . 540 K CB . 17721 1 671 . 1 1 178 178 LYS N N 15 115.438 0.015 . 1 . . . . 540 K N . 17721 1 672 . 1 1 179 179 THR H H 1 7.967 0.013 . 1 . . . . 541 T HN . 17721 1 673 . 1 1 179 179 THR C C 13 175.488 0.021 . 1 . . . . 541 T C . 17721 1 674 . 1 1 179 179 THR CA C 13 59.838 0.000 . 1 . . . . 541 T CA . 17721 1 675 . 1 1 179 179 THR CB C 13 71.429 0.002 . 1 . . . . 541 T CB . 17721 1 676 . 1 1 179 179 THR N N 15 110.347 0.027 . 1 . . . . 541 T N . 17721 1 677 . 1 1 180 180 ILE H H 1 9.082 0.013 . 1 . . . . 542 I HN . 17721 1 678 . 1 1 180 180 ILE C C 13 176.011 0.015 . 1 . . . . 542 I C . 17721 1 679 . 1 1 180 180 ILE CA C 13 60.439 0.000 . 1 . . . . 542 I CA . 17721 1 680 . 1 1 180 180 ILE CB C 13 41.923 0.001 . 1 . . . . 542 I CB . 17721 1 681 . 1 1 180 180 ILE N N 15 121.501 0.036 . 1 . . . . 542 I N . 17721 1 682 . 1 1 181 181 GLU H H 1 8.847 0.005 . 1 . . . . 543 E HN . 17721 1 683 . 1 1 181 181 GLU C C 13 176.455 0.005 . 1 . . . . 543 E C . 17721 1 684 . 1 1 181 181 GLU CA C 13 58.120 0.001 . 1 . . . . 543 E CA . 17721 1 685 . 1 1 181 181 GLU N N 15 125.381 0.017 . 1 . . . . 543 E N . 17721 1 686 . 1 1 182 182 GLY H H 1 7.587 0.014 . 1 . . . . 544 G HN . 17721 1 687 . 1 1 182 182 GLY C C 13 174.807 0.028 . 1 . . . . 544 G C . 17721 1 688 . 1 1 182 182 GLY CA C 13 46.013 0.002 . 1 . . . . 544 G CA . 17721 1 689 . 1 1 182 182 GLY N N 15 111.516 0.018 . 1 . . . . 544 G N . 17721 1 690 . 1 1 183 183 THR H H 1 8.332 0.000 . 1 . . . . 545 T HN . 17721 1 691 . 1 1 183 183 THR C C 13 176.605 0.020 . 1 . . . . 545 T C . 17721 1 692 . 1 1 183 183 THR CA C 13 62.686 0.014 . 1 . . . . 545 T CA . 17721 1 693 . 1 1 183 183 THR N N 15 120.154 0.021 . 1 . . . . 545 T N . 17721 1 694 . 1 1 184 184 ALA H H 1 9.239 0.014 . 1 . . . . 546 A HN . 17721 1 695 . 1 1 184 184 ALA C C 13 175.748 0.007 . 1 . . . . 546 A C . 17721 1 696 . 1 1 184 184 ALA CA C 13 50.386 0.000 . 1 . . . . 546 A CA . 17721 1 697 . 1 1 184 184 ALA CB C 13 18.491 0.003 . 1 . . . . 546 A CB . 17721 1 698 . 1 1 184 184 ALA N N 15 124.081 0.018 . 1 . . . . 546 A N . 17721 1 699 . 1 1 185 185 ARG H H 1 10.203 0.013 . 1 . . . . 547 R HN . 17721 1 700 . 1 1 185 185 ARG C C 13 176.443 0.013 . 1 . . . . 547 R C . 17721 1 701 . 1 1 185 185 ARG CA C 13 54.010 0.000 . 1 . . . . 547 R CA . 17721 1 702 . 1 1 185 185 ARG CB C 13 31.176 0.002 . 1 . . . . 547 R CB . 17721 1 703 . 1 1 185 185 ARG N N 15 123.320 0.026 . 1 . . . . 547 R N . 17721 1 704 . 1 1 186 186 GLY H H 1 9.119 0.009 . 1 . . . . 548 G HN . 17721 1 705 . 1 1 186 186 GLY C C 13 177.106 0.015 . 1 . . . . 548 G C . 17721 1 706 . 1 1 186 186 GLY CA C 13 42.219 0.002 . 1 . . . . 548 G CA . 17721 1 707 . 1 1 186 186 GLY N N 15 112.505 0.020 . 1 . . . . 548 G N . 17721 1 708 . 1 1 187 187 GLY H H 1 9.070 0.004 . 1 . . . . 549 G HN . 17721 1 709 . 1 1 187 187 GLY C C 13 175.503 0.013 . 1 . . . . 549 G C . 17721 1 710 . 1 1 187 187 GLY CA C 13 46.279 0.002 . 1 . . . . 549 G CA . 17721 1 711 . 1 1 187 187 GLY N N 15 111.628 0.016 . 1 . . . . 549 G N . 17721 1 712 . 1 1 188 188 GLY H H 1 7.740 0.000 . 1 . . . . 550 G HN . 17721 1 713 . 1 1 188 188 GLY C C 13 173.202 0.019 . 1 . . . . 550 G C . 17721 1 714 . 1 1 188 188 GLY CA C 13 44.305 0.002 . 1 . . . . 550 G CA . 17721 1 715 . 1 1 188 188 GLY N N 15 104.604 0.016 . 1 . . . . 550 G N . 17721 1 716 . 1 1 189 189 GLU H H 1 7.008 0.016 . 1 . . . . 551 E HN . 17721 1 717 . 1 1 189 189 GLU C C 13 174.336 0.044 . 1 . . . . 551 E C . 17721 1 718 . 1 1 189 189 GLU CA C 13 58.116 0.002 . 1 . . . . 551 E CA . 17721 1 719 . 1 1 189 189 GLU N N 15 121.561 0.016 . 1 . . . . 551 E N . 17721 1 720 . 1 1 190 190 ASP H H 1 8.226 0.000 . 1 . . . . 552 D HN . 17721 1 721 . 1 1 190 190 ASP C C 13 176.032 0.019 . 1 . . . . 552 D C . 17721 1 722 . 1 1 190 190 ASP CA C 13 54.831 0.005 . 1 . . . . 552 D CA . 17721 1 723 . 1 1 190 190 ASP N N 15 112.325 0.089 . 1 . . . . 552 D N . 17721 1 724 . 1 1 191 191 PHE H H 1 7.553 0.007 . 1 . . . . 553 F HN . 17721 1 725 . 1 1 191 191 PHE C C 13 172.765 0.010 . 1 . . . . 553 F C . 17721 1 726 . 1 1 191 191 PHE CA C 13 55.894 0.000 . 1 . . . . 553 F CA . 17721 1 727 . 1 1 191 191 PHE CB C 13 38.653 0.002 . 1 . . . . 553 F CB . 17721 1 728 . 1 1 191 191 PHE N N 15 116.449 0.016 . 1 . . . . 553 F N . 17721 1 729 . 1 1 192 192 GLU H H 1 7.987 0.020 . 1 . . . . 554 E HN . 17721 1 730 . 1 1 192 192 GLU C C 13 175.091 0.025 . 1 . . . . 554 E C . 17721 1 731 . 1 1 192 192 GLU CA C 13 54.654 0.000 . 1 . . . . 554 E CA . 17721 1 732 . 1 1 192 192 GLU CB C 13 29.823 0.002 . 1 . . . . 554 E CB . 17721 1 733 . 1 1 192 192 GLU N N 15 119.916 0.028 . 1 . . . . 554 E N . 17721 1 734 . 1 1 193 193 ASP H H 1 8.149 0.009 . 1 . . . . 555 D HN . 17721 1 735 . 1 1 193 193 ASP C C 13 175.968 0.008 . 1 . . . . 555 D C . 17721 1 736 . 1 1 193 193 ASP CA C 13 54.419 0.000 . 1 . . . . 555 D CA . 17721 1 737 . 1 1 193 193 ASP CB C 13 40.398 0.013 . 1 . . . . 555 D CB . 17721 1 738 . 1 1 193 193 ASP N N 15 124.820 0.038 . 1 . . . . 555 D N . 17721 1 739 . 1 1 194 194 THR H H 1 8.437 0.001 . 1 . . . . 556 T HN . 17721 1 740 . 1 1 194 194 THR C C 13 171.157 0.000 . 1 . . . . 556 T C . 17721 1 741 . 1 1 194 194 THR CA C 13 61.442 0.003 . 1 . . . . 556 T CA . 17721 1 742 . 1 1 194 194 THR N N 15 117.933 0.037 . 1 . . . . 556 T N . 17721 1 743 . 1 1 195 195 CYS H H 1 7.954 0.018 . 1 . . . . 557 C HN . 17721 1 744 . 1 1 195 195 CYS C C 13 172.675 0.022 . 1 . . . . 557 C C . 17721 1 745 . 1 1 195 195 CYS CA C 13 55.612 0.000 . 1 . . . . 557 C CA . 17721 1 746 . 1 1 195 195 CYS CB C 13 29.575 0.011 . 1 . . . . 557 C CB . 17721 1 747 . 1 1 195 195 CYS N N 15 121.596 0.039 . 1 . . . . 557 C N . 17721 1 748 . 1 1 196 196 GLY H H 1 7.073 0.010 . 1 . . . . 558 G HN . 17721 1 749 . 1 1 196 196 GLY C C 13 171.278 0.020 . 1 . . . . 558 G C . 17721 1 750 . 1 1 196 196 GLY CA C 13 44.951 0.002 . 1 . . . . 558 G CA . 17721 1 751 . 1 1 196 196 GLY N N 15 108.969 0.018 . 1 . . . . 558 G N . 17721 1 752 . 1 1 197 197 GLU H H 1 8.425 0.026 . 1 . . . . 559 E HN . 17721 1 753 . 1 1 197 197 GLU C C 13 175.538 0.013 . 1 . . . . 559 E C . 17721 1 754 . 1 1 197 197 GLU CA C 13 54.713 0.000 . 1 . . . . 559 E CA . 17721 1 755 . 1 1 197 197 GLU CB C 13 31.963 0.005 . 1 . . . . 559 E CB . 17721 1 756 . 1 1 197 197 GLU N N 15 120.215 0.022 . 1 . . . . 559 E N . 17721 1 757 . 1 1 198 198 LEU H H 1 9.052 0.023 . 1 . . . . 560 L HN . 17721 1 758 . 1 1 198 198 LEU C C 13 175.377 0.012 . 1 . . . . 560 L C . 17721 1 759 . 1 1 198 198 LEU CA C 13 52.970 0.000 . 1 . . . . 560 L CA . 17721 1 760 . 1 1 198 198 LEU CB C 13 43.702 0.002 . 1 . . . . 560 L CB . 17721 1 761 . 1 1 198 198 LEU N N 15 125.439 0.013 . 1 . . . . 560 L N . 17721 1 762 . 1 1 199 199 GLU H H 1 8.538 0.008 . 1 . . . . 561 E HN . 17721 1 763 . 1 1 199 199 GLU C C 13 175.073 0.005 . 1 . . . . 561 E C . 17721 1 764 . 1 1 199 199 GLU CA C 13 54.633 0.000 . 1 . . . . 561 E CA . 17721 1 765 . 1 1 199 199 GLU CB C 13 29.847 0.002 . 1 . . . . 561 E CB . 17721 1 766 . 1 1 199 199 GLU N N 15 124.208 0.023 . 1 . . . . 561 E N . 17721 1 767 . 1 1 200 200 PHE H H 1 9.520 0.002 . 1 . . . . 562 F HN . 17721 1 768 . 1 1 200 200 PHE C C 13 175.768 0.041 . 1 . . . . 562 F C . 17721 1 769 . 1 1 200 200 PHE CA C 13 56.228 0.000 . 1 . . . . 562 F CA . 17721 1 770 . 1 1 200 200 PHE CB C 13 39.186 0.001 . 1 . . . . 562 F CB . 17721 1 771 . 1 1 200 200 PHE N N 15 127.117 0.025 . 1 . . . . 562 F N . 17721 1 772 . 1 1 201 201 GLN H H 1 9.361 0.000 . 1 . . . . 563 Q HN . 17721 1 773 . 1 1 201 201 GLN C C 13 176.721 0.000 . 1 . . . . 563 Q C . 17721 1 774 . 1 1 201 201 GLN CA C 13 54.127 0.001 . 1 . . . . 563 Q CA . 17721 1 775 . 1 1 201 201 GLN N N 15 121.862 0.013 . 1 . . . . 563 Q N . 17721 1 776 . 1 1 202 202 ASN C C 13 175.906 0.000 . 1 . . . . 564 N C . 17721 1 777 . 1 1 202 202 ASN CA C 13 55.719 0.000 . 1 . . . . 564 N CA . 17721 1 778 . 1 1 202 202 ASN CB C 13 39.334 0.000 . 1 . . . . 564 N CB . 17721 1 779 . 1 1 203 203 ASP H H 1 9.381 0.013 . 1 . . . . 565 D HN . 17721 1 780 . 1 1 203 203 ASP C C 13 174.639 0.000 . 1 . . . . 565 D C . 17721 1 781 . 1 1 203 203 ASP CA C 13 57.261 0.004 . 1 . . . . 565 D CA . 17721 1 782 . 1 1 203 203 ASP N N 15 119.518 0.016 . 1 . . . . 565 D N . 17721 1 783 . 1 1 204 204 GLU H H 1 8.027 0.003 . 1 . . . . 566 E HN . 17721 1 784 . 1 1 204 204 GLU C C 13 177.809 0.000 . 1 . . . . 566 E C . 17721 1 785 . 1 1 204 204 GLU CA C 13 56.489 0.000 . 1 . . . . 566 E CA . 17721 1 786 . 1 1 204 204 GLU CB C 13 30.610 0.002 . 1 . . . . 566 E CB . 17721 1 787 . 1 1 204 204 GLU N N 15 121.645 0.057 . 1 . . . . 566 E N . 17721 1 788 . 1 1 205 205 ILE H H 1 8.550 0.006 . 1 . . . . 567 I HN . 17721 1 789 . 1 1 205 205 ILE C C 13 174.495 0.061 . 1 . . . . 567 I C . 17721 1 790 . 1 1 205 205 ILE CA C 13 61.642 0.000 . 1 . . . . 567 I CA . 17721 1 791 . 1 1 205 205 ILE CB C 13 38.574 0.002 . 1 . . . . 567 I CB . 17721 1 792 . 1 1 205 205 ILE N N 15 115.787 0.019 . 1 . . . . 567 I N . 17721 1 793 . 1 1 206 206 VAL H H 1 7.345 0.013 . 1 . . . . 568 V HN . 17721 1 794 . 1 1 206 206 VAL C C 13 173.540 0.000 . 1 . . . . 568 V C . 17721 1 795 . 1 1 206 206 VAL CA C 13 60.709 0.002 . 1 . . . . 568 V CA . 17721 1 796 . 1 1 206 206 VAL N N 15 119.683 0.024 . 1 . . . . 568 V N . 17721 1 797 . 1 1 207 207 LYS H H 1 8.170 0.001 . 1 . . . . 569 K HN . 17721 1 798 . 1 1 207 207 LYS C C 13 174.687 0.016 . 1 . . . . 569 K C . 17721 1 799 . 1 1 207 207 LYS CA C 13 53.317 0.000 . 1 . . . . 569 K CA . 17721 1 800 . 1 1 207 207 LYS CB C 13 36.244 0.003 . 1 . . . . 569 K CB . 17721 1 801 . 1 1 207 207 LYS N N 15 125.320 0.034 . 1 . . . . 569 K N . 17721 1 802 . 1 1 208 208 THR H H 1 7.752 0.011 . 1 . . . . 570 T HN . 17721 1 803 . 1 1 208 208 THR C C 13 173.900 0.018 . 1 . . . . 570 T C . 17721 1 804 . 1 1 208 208 THR CA C 13 59.497 0.000 . 1 . . . . 570 T CA . 17721 1 805 . 1 1 208 208 THR CB C 13 71.096 0.002 . 1 . . . . 570 T CB . 17721 1 806 . 1 1 208 208 THR N N 15 110.545 0.012 . 1 . . . . 570 T N . 17721 1 807 . 1 1 209 209 ILE H H 1 8.806 0.009 . 1 . . . . 571 I HN . 17721 1 808 . 1 1 209 209 ILE C C 13 174.669 0.035 . 1 . . . . 571 I C . 17721 1 809 . 1 1 209 209 ILE CA C 13 60.051 0.001 . 1 . . . . 571 I CA . 17721 1 810 . 1 1 209 209 ILE N N 15 123.381 0.010 . 1 . . . . 571 I N . 17721 1 811 . 1 1 210 210 SER H H 1 7.975 0.000 . 1 . . . . 572 S HN . 17721 1 812 . 1 1 210 210 SER C C 13 173.630 0.003 . 1 . . . . 572 S C . 17721 1 813 . 1 1 210 210 SER CA C 13 56.698 0.000 . 1 . . . . 572 S CA . 17721 1 814 . 1 1 210 210 SER CB C 13 64.319 0.002 . 1 . . . . 572 S CB . 17721 1 815 . 1 1 210 210 SER N N 15 122.403 0.019 . 1 . . . . 572 S N . 17721 1 816 . 1 1 211 211 VAL H H 1 8.632 0.000 . 1 . . . . 573 V HN . 17721 1 817 . 1 1 211 211 VAL C C 13 174.435 0.024 . 1 . . . . 573 V C . 17721 1 818 . 1 1 211 211 VAL CA C 13 60.148 0.000 . 1 . . . . 573 V CA . 17721 1 819 . 1 1 211 211 VAL CB C 13 34.898 0.002 . 1 . . . . 573 V CB . 17721 1 820 . 1 1 211 211 VAL N N 15 123.683 0.011 . 1 . . . . 573 V N . 17721 1 821 . 1 1 212 212 LYS H H 1 9.146 0.000 . 1 . . . . 574 K HN . 17721 1 822 . 1 1 212 212 LYS C C 13 174.269 0.004 . 1 . . . . 574 K C . 17721 1 823 . 1 1 212 212 LYS CA C 13 56.313 0.000 . 1 . . . . 574 K CA . 17721 1 824 . 1 1 212 212 LYS CB C 13 31.983 0.004 . 1 . . . . 574 K CB . 17721 1 825 . 1 1 212 212 LYS N N 15 129.650 0.023 . 1 . . . . 574 K N . 17721 1 826 . 1 1 213 213 VAL H H 1 8.072 0.005 . 1 . . . . 575 V HN . 17721 1 827 . 1 1 213 213 VAL C C 13 175.635 0.000 . 1 . . . . 575 V C . 17721 1 828 . 1 1 213 213 VAL CA C 13 61.440 0.001 . 1 . . . . 575 V CA . 17721 1 829 . 1 1 213 213 VAL N N 15 128.090 0.014 . 1 . . . . 575 V N . 17721 1 830 . 1 1 214 214 ILE H H 1 7.755 0.004 . 1 . . . . 576 I HN . 17721 1 831 . 1 1 214 214 ILE C C 13 174.342 0.033 . 1 . . . . 576 I C . 17721 1 832 . 1 1 214 214 ILE CA C 13 59.216 0.000 . 1 . . . . 576 I CA . 17721 1 833 . 1 1 214 214 ILE CB C 13 36.183 0.002 . 1 . . . . 576 I CB . 17721 1 834 . 1 1 214 214 ILE N N 15 130.335 0.042 . 1 . . . . 576 I N . 17721 1 835 . 1 1 215 215 ASP H H 1 8.333 0.000 . 1 . . . . 577 D HN . 17721 1 836 . 1 1 215 215 ASP C C 13 175.650 0.000 . 1 . . . . 577 D C . 17721 1 837 . 1 1 215 215 ASP CA C 13 52.776 0.002 . 1 . . . . 577 D CA . 17721 1 838 . 1 1 215 215 ASP N N 15 126.726 0.016 . 1 . . . . 577 D N . 17721 1 839 . 1 1 223 223 LYS H H 1 8.202 0.017 . 1 . . . . 585 K HN . 17721 1 840 . 1 1 223 223 LYS C C 13 174.544 0.027 . 1 . . . . 585 K C . 17721 1 841 . 1 1 223 223 LYS CA C 13 54.876 0.000 . 1 . . . . 585 K CA . 17721 1 842 . 1 1 223 223 LYS N N 15 122.014 0.088 . 1 . . . . 585 K N . 17721 1 843 . 1 1 224 224 THR H H 1 8.199 0.031 . 1 . . . . 586 T HN . 17721 1 844 . 1 1 224 224 THR C C 13 174.793 0.022 . 1 . . . . 586 T C . 17721 1 845 . 1 1 224 224 THR CA C 13 59.766 0.000 . 1 . . . . 586 T CA . 17721 1 846 . 1 1 224 224 THR CB C 13 71.880 0.001 . 1 . . . . 586 T CB . 17721 1 847 . 1 1 224 224 THR N N 15 114.975 0.025 . 1 . . . . 586 T N . 17721 1 848 . 1 1 225 225 PHE H H 1 8.579 0.010 . 1 . . . . 587 F HN . 17721 1 849 . 1 1 225 225 PHE C C 13 170.011 0.036 . 1 . . . . 587 F C . 17721 1 850 . 1 1 225 225 PHE CA C 13 55.719 0.002 . 1 . . . . 587 F CA . 17721 1 851 . 1 1 225 225 PHE N N 15 122.527 0.011 . 1 . . . . 587 F N . 17721 1 852 . 1 1 226 226 PHE H H 1 9.005 0.022 . 1 . . . . 588 F HN . 17721 1 853 . 1 1 226 226 PHE C C 13 175.063 0.000 . 1 . . . . 588 F C . 17721 1 854 . 1 1 226 226 PHE CA C 13 54.774 0.000 . 1 . . . . 588 F CA . 17721 1 855 . 1 1 226 226 PHE CB C 13 42.276 0.002 . 1 . . . . 588 F CB . 17721 1 856 . 1 1 226 226 PHE N N 15 114.807 0.019 . 1 . . . . 588 F N . 17721 1 857 . 1 1 227 227 LEU H H 1 8.695 0.006 . 1 . . . . 589 L HN . 17721 1 858 . 1 1 227 227 LEU C C 13 174.380 0.065 . 1 . . . . 589 L C . 17721 1 859 . 1 1 227 227 LEU CA C 13 53.317 0.000 . 1 . . . . 589 L CA . 17721 1 860 . 1 1 227 227 LEU CB C 13 45.734 0.001 . 1 . . . . 589 L CB . 17721 1 861 . 1 1 227 227 LEU N N 15 122.030 0.043 . 1 . . . . 589 L N . 17721 1 862 . 1 1 228 228 GLU H H 1 9.036 0.012 . 1 . . . . 590 E HN . 17721 1 863 . 1 1 228 228 GLU C C 13 176.872 0.003 . 1 . . . . 590 E C . 17721 1 864 . 1 1 228 228 GLU CA C 13 54.461 0.000 . 1 . . . . 590 E CA . 17721 1 865 . 1 1 228 228 GLU CB C 13 34.316 0.002 . 1 . . . . 590 E CB . 17721 1 866 . 1 1 228 228 GLU N N 15 123.791 0.047 . 1 . . . . 590 E N . 17721 1 867 . 1 1 229 229 ILE H H 1 8.258 0.030 . 1 . . . . 591 I HN . 17721 1 868 . 1 1 229 229 ILE C C 13 175.050 0.019 . 1 . . . . 591 I C . 17721 1 869 . 1 1 229 229 ILE CA C 13 59.056 0.000 . 1 . . . . 591 I CA . 17721 1 870 . 1 1 229 229 ILE CB C 13 39.100 0.002 . 1 . . . . 591 I CB . 17721 1 871 . 1 1 229 229 ILE N N 15 119.121 0.050 . 1 . . . . 591 I N . 17721 1 872 . 1 1 230 230 GLY H H 1 8.094 0.002 . 1 . . . . 592 G HN . 17721 1 873 . 1 1 230 230 GLY C C 13 171.511 0.076 . 1 . . . . 592 G C . 17721 1 874 . 1 1 230 230 GLY CA C 13 41.975 0.002 . 1 . . . . 592 G CA . 17721 1 875 . 1 1 230 230 GLY N N 15 108.969 0.012 . 1 . . . . 592 G N . 17721 1 876 . 1 1 231 231 GLU H H 1 7.645 0.000 . 1 . . . . 593 E HN . 17721 1 877 . 1 1 231 231 GLU C C 13 174.589 0.000 . 1 . . . . 593 E C . 17721 1 878 . 1 1 231 231 GLU CA C 13 54.306 0.002 . 1 . . . . 593 E CA . 17721 1 879 . 1 1 231 231 GLU N N 15 115.847 0.016 . 1 . . . . 593 E N . 17721 1 880 . 1 1 232 232 PRO C C 13 176.010 0.000 . 1 . . . . 594 P C . 17721 1 881 . 1 1 232 232 PRO CA C 13 60.802 0.000 . 1 . . . . 594 P CA . 17721 1 882 . 1 1 232 232 PRO CB C 13 32.302 0.000 . 1 . . . . 594 P CB . 17721 1 883 . 1 1 233 233 ARG H H 1 8.591 0.008 . 1 . . . . 595 R HN . 17721 1 884 . 1 1 233 233 ARG C C 13 174.433 0.008 . 1 . . . . 595 R C . 17721 1 885 . 1 1 233 233 ARG CA C 13 53.736 0.000 . 1 . . . . 595 R CA . 17721 1 886 . 1 1 233 233 ARG CB C 13 31.993 0.003 . 1 . . . . 595 R CB . 17721 1 887 . 1 1 233 233 ARG N N 15 117.580 0.027 . 1 . . . . 595 R N . 17721 1 888 . 1 1 234 234 LEU H H 1 8.599 0.008 . 1 . . . . 596 L HN . 17721 1 889 . 1 1 234 234 LEU C C 13 177.092 0.013 . 1 . . . . 596 L C . 17721 1 890 . 1 1 234 234 LEU CA C 13 54.410 0.001 . 1 . . . . 596 L CA . 17721 1 891 . 1 1 234 234 LEU N N 15 125.518 0.013 . 1 . . . . 596 L N . 17721 1 892 . 1 1 235 235 VAL H H 1 8.398 0.007 . 1 . . . . 597 V HN . 17721 1 893 . 1 1 235 235 VAL C C 13 175.796 0.025 . 1 . . . . 597 V C . 17721 1 894 . 1 1 235 235 VAL CA C 13 62.373 0.000 . 1 . . . . 597 V CA . 17721 1 895 . 1 1 235 235 VAL CB C 13 31.640 0.005 . 1 . . . . 597 V CB . 17721 1 896 . 1 1 235 235 VAL N N 15 125.882 0.067 . 1 . . . . 597 V N . 17721 1 897 . 1 1 236 236 GLU H H 1 8.342 0.024 . 1 . . . . 598 E HN . 17721 1 898 . 1 1 236 236 GLU C C 13 176.192 0.014 . 1 . . . . 598 E C . 17721 1 899 . 1 1 236 236 GLU CA C 13 55.804 0.002 . 1 . . . . 598 E CA . 17721 1 900 . 1 1 236 236 GLU N N 15 125.648 0.036 . 1 . . . . 598 E N . 17721 1 901 . 1 1 237 237 MET H H 1 8.400 0.000 . 1 . . . . 599 M HN . 17721 1 902 . 1 1 237 237 MET CA C 13 55.161 0.009 . 1 . . . . 599 M CA . 17721 1 903 . 1 1 237 237 MET N N 15 122.684 0.052 . 1 . . . . 599 M N . 17721 1 904 . 1 1 245 245 THR C C 13 173.927 0.000 . 1 . . . . 607 T C . 17721 1 905 . 1 1 245 245 THR CA C 13 61.246 0.000 . 1 . . . . 607 T CA . 17721 1 906 . 1 1 245 245 THR CB C 13 69.523 0.000 . 1 . . . . 607 T CB . 17721 1 907 . 1 1 246 246 ILE H H 1 8.091 0.010 . 1 . . . . 608 I HN . 17721 1 908 . 1 1 246 246 ILE C C 13 176.179 0.043 . 1 . . . . 608 I C . 17721 1 909 . 1 1 246 246 ILE CA C 13 60.745 0.000 . 1 . . . . 608 I CA . 17721 1 910 . 1 1 246 246 ILE CB C 13 37.683 0.002 . 1 . . . . 608 I CB . 17721 1 911 . 1 1 246 246 ILE N N 15 123.961 0.018 . 1 . . . . 608 I N . 17721 1 912 . 1 1 247 247 THR H H 1 8.009 0.005 . 1 . . . . 609 T HN . 17721 1 913 . 1 1 247 247 THR C C 13 174.316 0.023 . 1 . . . . 609 T C . 17721 1 914 . 1 1 247 247 THR CA C 13 61.230 0.000 . 1 . . . . 609 T CA . 17721 1 915 . 1 1 247 247 THR CB C 13 69.310 0.001 . 1 . . . . 609 T CB . 17721 1 916 . 1 1 247 247 THR N N 15 118.478 0.014 . 1 . . . . 609 T N . 17721 1 917 . 1 1 248 248 GLU H H 1 8.209 0.002 . 1 . . . . 610 E HN . 17721 1 918 . 1 1 248 248 GLU C C 13 176.034 0.000 . 1 . . . . 610 E C . 17721 1 919 . 1 1 248 248 GLU CA C 13 56.101 0.001 . 1 . . . . 610 E CA . 17721 1 920 . 1 1 248 248 GLU N N 15 123.387 0.022 . 1 . . . . 610 E N . 17721 1 921 . 1 1 249 249 GLU H H 1 8.136 0.000 . 1 . . . . 611 E HN . 17721 1 922 . 1 1 249 249 GLU C C 13 175.938 0.001 . 1 . . . . 611 E C . 17721 1 923 . 1 1 249 249 GLU N N 15 121.529 0.010 . 1 . . . . 611 E N . 17721 1 924 . 1 1 255 255 PRO C C 13 176.919 0.000 . 1 . . . . 617 P C . 17721 1 925 . 1 1 255 255 PRO CA C 13 62.555 0.000 . 1 . . . . 617 P CA . 17721 1 926 . 1 1 255 255 PRO CB C 13 31.104 0.000 . 1 . . . . 617 P CB . 17721 1 927 . 1 1 256 256 LEU H H 1 8.225 0.004 . 1 . . . . 618 L HN . 17721 1 928 . 1 1 256 256 LEU C C 13 177.932 0.010 . 1 . . . . 618 L C . 17721 1 929 . 1 1 256 256 LEU CA C 13 54.876 0.000 . 1 . . . . 618 L CA . 17721 1 930 . 1 1 256 256 LEU CB C 13 41.348 0.002 . 1 . . . . 618 L CB . 17721 1 931 . 1 1 256 256 LEU N N 15 122.681 0.009 . 1 . . . . 618 L N . 17721 1 932 . 1 1 257 257 THR H H 1 8.095 0.000 . 1 . . . . 619 T HN . 17721 1 933 . 1 1 257 257 THR C C 13 174.840 0.000 . 1 . . . . 619 T C . 17721 1 934 . 1 1 257 257 THR CA C 13 61.120 0.006 . 1 . . . . 619 T CA . 17721 1 935 . 1 1 257 257 THR N N 15 114.284 0.039 . 1 . . . . 619 T N . 17721 1 936 . 1 1 265 265 ARG CA C 13 57.543 0.000 . 1 . . . . 627 R CA . 17721 1 937 . 1 1 266 266 ILE H H 1 7.867 0.000 . 1 . . . . 628 I HN . 17721 1 938 . 1 1 266 266 ILE C C 13 177.535 0.007 . 1 . . . . 628 I C . 17721 1 939 . 1 1 266 266 ILE CA C 13 62.460 0.000 . 1 . . . . 628 I CA . 17721 1 940 . 1 1 266 266 ILE CB C 13 37.195 0.002 . 1 . . . . 628 I CB . 17721 1 941 . 1 1 266 266 ILE N N 15 120.401 0.047 . 1 . . . . 628 I N . 17721 1 942 . 1 1 267 267 ALA H H 1 7.852 0.002 . 1 . . . . 629 A HN . 17721 1 943 . 1 1 267 267 ALA C C 13 178.929 0.000 . 1 . . . . 629 A C . 17721 1 944 . 1 1 267 267 ALA CA C 13 53.196 0.006 . 1 . . . . 629 A CA . 17721 1 945 . 1 1 267 267 ALA N N 15 124.725 0.049 . 1 . . . . 629 A N . 17721 1 946 . 1 1 268 268 GLU H H 1 7.899 0.024 . 1 . . . . 630 E HN . 17721 1 947 . 1 1 268 268 GLU C C 13 177.415 0.014 . 1 . . . . 630 E C . 17721 1 948 . 1 1 268 268 GLU CA C 13 56.889 0.001 . 1 . . . . 630 E CA . 17721 1 949 . 1 1 268 268 GLU N N 15 118.371 0.015 . 1 . . . . 630 E N . 17721 1 950 . 1 1 269 269 MET H H 1 7.815 0.013 . 1 . . . . 631 M HN . 17721 1 951 . 1 1 269 269 MET C C 13 176.852 0.014 . 1 . . . . 631 M C . 17721 1 952 . 1 1 269 269 MET CA C 13 56.117 0.000 . 1 . . . . 631 M CA . 17721 1 953 . 1 1 269 269 MET CB C 13 31.945 0.005 . 1 . . . . 631 M CB . 17721 1 954 . 1 1 269 269 MET N N 15 119.583 0.056 . 1 . . . . 631 M N . 17721 1 955 . 1 1 270 270 GLY H H 1 8.040 0.013 . 1 . . . . 632 G HN . 17721 1 956 . 1 1 270 270 GLY C C 13 173.227 0.010 . 1 . . . . 632 G C . 17721 1 957 . 1 1 270 270 GLY CA C 13 44.946 0.002 . 1 . . . . 632 G CA . 17721 1 958 . 1 1 270 270 GLY N N 15 109.310 0.032 . 1 . . . . 632 G N . 17721 1 959 . 1 1 271 271 ARG H H 1 7.260 0.000 . 1 . . . . 633 R HN . 17721 1 960 . 1 1 271 271 ARG C C 13 172.875 0.000 . 1 . . . . 633 R C . 17721 1 961 . 1 1 271 271 ARG CA C 13 53.808 0.002 . 1 . . . . 633 R CA . 17721 1 962 . 1 1 271 271 ARG N N 15 121.310 0.014 . 1 . . . . 633 R N . 17721 1 963 . 1 1 272 272 PRO C C 13 175.984 0.000 . 1 . . . . 634 P C . 17721 1 964 . 1 1 272 272 PRO CA C 13 61.779 0.000 . 1 . . . . 634 P CA . 17721 1 965 . 1 1 272 272 PRO CB C 13 31.563 0.000 . 1 . . . . 634 P CB . 17721 1 966 . 1 1 273 273 ILE H H 1 8.296 0.003 . 1 . . . . 635 I HN . 17721 1 967 . 1 1 273 273 ILE C C 13 175.492 0.004 . 1 . . . . 635 I C . 17721 1 968 . 1 1 273 273 ILE CA C 13 59.181 0.000 . 1 . . . . 635 I CA . 17721 1 969 . 1 1 273 273 ILE CB C 13 43.381 0.002 . 1 . . . . 635 I CB . 17721 1 970 . 1 1 273 273 ILE N N 15 113.842 0.047 . 1 . . . . 635 I N . 17721 1 971 . 1 1 274 274 LEU H H 1 8.457 0.006 . 1 . . . . 636 L HN . 17721 1 972 . 1 1 274 274 LEU C C 13 177.947 0.007 . 1 . . . . 636 L C . 17721 1 973 . 1 1 274 274 LEU CA C 13 54.058 0.000 . 1 . . . . 636 L CA . 17721 1 974 . 1 1 274 274 LEU CB C 13 41.797 0.003 . 1 . . . . 636 L CB . 17721 1 975 . 1 1 274 274 LEU N N 15 120.885 0.011 . 1 . . . . 636 L N . 17721 1 976 . 1 1 275 275 GLY H H 1 8.823 0.004 . 1 . . . . 637 G HN . 17721 1 977 . 1 1 275 275 GLY C C 13 173.441 0.005 . 1 . . . . 637 G C . 17721 1 978 . 1 1 275 275 GLY CA C 13 43.496 0.003 . 1 . . . . 637 G CA . 17721 1 979 . 1 1 275 275 GLY N N 15 109.834 0.011 . 1 . . . . 637 G N . 17721 1 980 . 1 1 276 276 GLU H H 1 8.191 0.005 . 1 . . . . 638 E HN . 17721 1 981 . 1 1 276 276 GLU C C 13 176.783 0.009 . 1 . . . . 638 E C . 17721 1 982 . 1 1 276 276 GLU CA C 13 59.265 0.000 . 1 . . . . 638 E CA . 17721 1 983 . 1 1 276 276 GLU CB C 13 29.593 0.002 . 1 . . . . 638 E CB . 17721 1 984 . 1 1 276 276 GLU N N 15 121.007 0.013 . 1 . . . . 638 E N . 17721 1 985 . 1 1 277 277 HIS H H 1 7.983 0.008 . 1 . . . . 639 H HN . 17721 1 986 . 1 1 277 277 HIS C C 13 174.493 0.009 . 1 . . . . 639 H C . 17721 1 987 . 1 1 277 277 HIS CA C 13 53.074 0.000 . 1 . . . . 639 H CA . 17721 1 988 . 1 1 277 277 HIS CB C 13 30.360 0.003 . 1 . . . . 639 H CB . 17721 1 989 . 1 1 277 277 HIS N N 15 115.425 0.030 . 1 . . . . 639 H N . 17721 1 990 . 1 1 278 278 THR H H 1 8.382 0.000 . 1 . . . . 640 T HN . 17721 1 991 . 1 1 278 278 THR C C 13 172.763 0.000 . 1 . . . . 640 T C . 17721 1 992 . 1 1 278 278 THR CA C 13 60.944 0.002 . 1 . . . . 640 T CA . 17721 1 993 . 1 1 278 278 THR N N 15 113.884 0.019 . 1 . . . . 640 T N . 17721 1 994 . 1 1 279 279 LYS C C 13 173.720 0.000 . 1 . . . . 641 K C . 17721 1 995 . 1 1 279 279 LYS CA C 13 55.068 0.000 . 1 . . . . 641 K CA . 17721 1 996 . 1 1 279 279 LYS CB C 13 34.142 0.000 . 1 . . . . 641 K CB . 17721 1 997 . 1 1 280 280 LEU H H 1 9.023 0.004 . 1 . . . . 642 L HN . 17721 1 998 . 1 1 280 280 LEU C C 13 174.437 0.008 . 1 . . . . 642 L C . 17721 1 999 . 1 1 280 280 LEU CA C 13 52.857 0.000 . 1 . . . . 642 L CA . 17721 1 1000 . 1 1 280 280 LEU CB C 13 43.073 0.002 . 1 . . . . 642 L CB . 17721 1 1001 . 1 1 280 280 LEU N N 15 130.913 0.021 . 1 . . . . 642 L N . 17721 1 1002 . 1 1 281 281 GLU H H 1 8.093 0.012 . 1 . . . . 643 E HN . 17721 1 1003 . 1 1 281 281 GLU C C 13 172.572 0.004 . 1 . . . . 643 E C . 17721 1 1004 . 1 1 281 281 GLU CA C 13 54.803 0.000 . 1 . . . . 643 E CA . 17721 1 1005 . 1 1 281 281 GLU CB C 13 30.037 0.002 . 1 . . . . 643 E CB . 17721 1 1006 . 1 1 281 281 GLU N N 15 129.705 0.006 . 1 . . . . 643 E N . 17721 1 1007 . 1 1 282 282 VAL H H 1 8.451 0.006 . 1 . . . . 644 V HN . 17721 1 1008 . 1 1 282 282 VAL C C 13 173.650 0.016 . 1 . . . . 644 V C . 17721 1 1009 . 1 1 282 282 VAL CA C 13 60.307 0.002 . 1 . . . . 644 V CA . 17721 1 1010 . 1 1 282 282 VAL N N 15 128.538 0.011 . 1 . . . . 644 V N . 17721 1 1011 . 1 1 283 283 ILE H H 1 7.994 0.007 . 1 . . . . 645 I HN . 17721 1 1012 . 1 1 283 283 ILE C C 13 174.971 0.000 . 1 . . . . 645 I C . 17721 1 1013 . 1 1 283 283 ILE CA C 13 60.076 0.000 . 1 . . . . 645 I CA . 17721 1 1014 . 1 1 283 283 ILE CB C 13 37.775 0.002 . 1 . . . . 645 I CB . 17721 1 1015 . 1 1 283 283 ILE N N 15 126.509 0.009 . 1 . . . . 645 I N . 17721 1 1016 . 1 1 284 284 ILE H H 1 8.913 0.008 . 1 . . . . 646 I HN . 17721 1 1017 . 1 1 284 284 ILE C C 13 176.012 0.000 . 1 . . . . 646 I C . 17721 1 1018 . 1 1 284 284 ILE CA C 13 60.273 0.000 . 1 . . . . 646 I CA . 17721 1 1019 . 1 1 284 284 ILE CB C 13 37.577 0.002 . 1 . . . . 646 I CB . 17721 1 1020 . 1 1 284 284 ILE N N 15 128.003 0.015 . 1 . . . . 646 I N . 17721 1 1021 . 1 1 285 285 GLU H H 1 8.827 0.012 . 1 . . . . 647 E HN . 17721 1 1022 . 1 1 285 285 GLU C C 13 175.635 0.003 . 1 . . . . 647 E C . 17721 1 1023 . 1 1 285 285 GLU CA C 13 53.923 0.000 . 1 . . . . 647 E CA . 17721 1 1024 . 1 1 285 285 GLU CB C 13 31.677 0.001 . 1 . . . . 647 E CB . 17721 1 1025 . 1 1 285 285 GLU N N 15 126.306 0.021 . 1 . . . . 647 E N . 17721 1 1026 . 1 1 286 286 GLU H H 1 8.313 0.000 . 1 . . . . 648 E HN . 17721 1 1027 . 1 1 286 286 GLU C C 13 176.273 0.003 . 1 . . . . 648 E C . 17721 1 1028 . 1 1 286 286 GLU CA C 13 55.984 0.000 . 1 . . . . 648 E CA . 17721 1 1029 . 1 1 286 286 GLU CB C 13 29.018 0.001 . 1 . . . . 648 E CB . 17721 1 1030 . 1 1 286 286 GLU N N 15 120.822 0.015 . 1 . . . . 648 E N . 17721 1 1031 . 1 1 287 287 SER H H 1 8.831 0.000 . 1 . . . . 649 S HN . 17721 1 1032 . 1 1 287 287 SER C C 13 174.784 0.000 . 1 . . . . 649 S C . 17721 1 1033 . 1 1 287 287 SER CA C 13 57.771 0.005 . 1 . . . . 649 S CA . 17721 1 1034 . 1 1 287 287 SER N N 15 117.769 0.019 . 1 . . . . 649 S N . 17721 1 1035 . 1 1 293 293 THR C C 13 174.331 0.000 . 1 . . . . 655 T C . 17721 1 1036 . 1 1 293 293 THR CA C 13 61.131 0.000 . 1 . . . . 655 T CA . 17721 1 1037 . 1 1 293 293 THR CB C 13 69.394 0.000 . 1 . . . . 655 T CB . 17721 1 1038 . 1 1 294 294 VAL H H 1 7.943 0.007 . 1 . . . . 656 V HN . 17721 1 1039 . 1 1 294 294 VAL C C 13 174.962 0.021 . 1 . . . . 656 V C . 17721 1 1040 . 1 1 294 294 VAL CA C 13 61.514 0.000 . 1 . . . . 656 V CA . 17721 1 1041 . 1 1 294 294 VAL CB C 13 31.946 0.004 . 1 . . . . 656 V CB . 17721 1 1042 . 1 1 294 294 VAL N N 15 121.538 0.020 . 1 . . . . 656 V N . 17721 1 1043 . 1 1 295 295 ASP H H 1 7.755 0.000 . 1 . . . . 657 D HN . 17721 1 1044 . 1 1 295 295 ASP C C 13 180.734 0.000 . 1 . . . . 657 D C . 17721 1 1045 . 1 1 295 295 ASP CA C 13 55.512 0.002 . 1 . . . . 657 D CA . 17721 1 1046 . 1 1 295 295 ASP N N 15 129.258 0.010 . 1 . . . . 657 D N . 17721 1 stop_ save_