data_16393 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16393 _Entry.Title ; NMR Evidence for differential phosphorylation-dependent interactions in WT and deltaF508 CFTR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-03 _Entry.Accession_date 2009-07-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Chemical shifts for wild type (WT) murine CFTR NBD1 (389-673)' _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 Voula Kanelis . . . 16393 2 Rhea Hudson . P. . 16393 3 Patrick Thibodeau . H. . 16393 4 Philip Thomas . J. . 16393 5 Julie Forman-Kay . D. . 16393 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Forman-Kay laboratory, Hospital for Sick Children' . 16393 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16393 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 166 16393 '15N chemical shifts' 170 16393 '1H chemical shifts' 170 16393 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 3 . . 2010-05-28 2009-07-03 update BMRB 'edit entity name' 16393 2 . . 2010-01-21 2009-07-03 update BMRB 'complete entry citation' 16393 1 . . 2009-12-11 2009-07-03 original author 'original release' 16393 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16394 'deltaF508 CFTR NBD1-RE' 16393 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16393 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19927121 _Citation.Full_citation . _Citation.Title 'NMR evidence for differential phosphorylation-dependent interactions in WT and DeltaF508 CFTR.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full 'The EMBO journal' _Citation.Journal_volume 29 _Citation.Journal_issue 1 _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 263 _Citation.Page_last 277 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Voula Kanelis . . . 16393 1 2 Rhea Hudson . P. . 16393 1 3 Patrick Thibodeau . H. . 16393 1 4 Philip Thomas . J. . 16393 1 5 Julie Forman-Kay . D. . 16393 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CFTR 16393 1 ICL 16393 1 NBD1 16393 1 'NMR spectroscopy' 16393 1 phosphorylation 16393 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16393 _Assembly.ID 1 _Assembly.Name 'CFTR NBD1-RE monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CFTR NBD1-RE' 1 $entity A . yes native no no . . . 16393 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 1R0X . . X-ray 2.2 'Structure of murine CFTR NBD1-RE bound with ATP' 'The protein used in this study is identical (i.e. same construct) to that used for the crystal structure, which was determined by another group.' 16393 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16393 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'CFTR NBD1-RE' _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 ; TTGIIMENVTAFWEEGFGEL LEKVQQSNGDRKHSSDENNV SFSHLCLVGNPVLKNINLNI EKGEMLAITGSTGSGKTSLL MLILGELEASEGIIKHSGRV SFCSQFSWIMPGTIKENIIF GVSYDEYRYKSVVKACQLQQ DITKFAEQDNTVLGEGGVTL SGGQRARISLARAVYKDADL YLLDSPFGYLDVFTEEQVFE SCVCKLMANKTRILVTSKME HLRKADKILILHQGSSYFYG TFSELQSLRPDFSSKLMGYD TFDQFTEERRSSILTETLRR FSVDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'This protein comprises residues T389-D673 of WT murine CFTR' _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 285 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'CFTR NBD1-RE' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 31994.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16367 . CFTR_NBD1-RE_G550E/R553M/R555K . . . . . 100.00 285 98.95 99.30 0.00e+00 . . . . 16393 1 2 no BMRB 16394 . "deltaF508 CFTR NBD1-RE" . . . . . 100.00 284 99.65 99.65 0.00e+00 . . . . 16393 1 3 no PDB 1Q3H . "Mouse Cftr Nbd1 With Amp.Pnp" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 16393 1 4 no PDB 1R0W . "Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (Nbd1) Apo" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 16393 1 5 no PDB 1R0X . "Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (Nbd1) With Atp" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 16393 1 6 no PDB 1R0Y . "Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (Nbd1) With Adp" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 16393 1 7 no PDB 1R0Z . "Phosphorylated Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide-Binding Domain One (Nbd1) With Atp" . . . . . 100.00 286 98.60 98.60 0.00e+00 . . . . 16393 1 8 no PDB 1R10 . "Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (Nbd1) With Atp, I4122 Space Group" . . . . . 100.00 286 100.00 100.00 0.00e+00 . . . . 16393 1 9 no PDB 1XF9 . "Structure Of Nbd1 From Murine Cftr- F508s Mutant" . . . . . 98.95 283 99.65 99.65 0.00e+00 . . . . 16393 1 10 no PDB 1XFA . "Structure Of Nbd1 From Murine Cftr- F508r Mutant" . . . . . 98.95 283 99.65 99.65 0.00e+00 . . . . 16393 1 11 no PDB 3SI7 . "The Crystal Structure Of The Nbd1 Domain Of The Mouse Cftr Protein, Deltaf508 Mutant" . . . . . 100.00 285 99.65 99.65 0.00e+00 . . . . 16393 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'chloride channel' 16393 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 1 389 THR . 16393 1 2 390 THR . 16393 1 3 391 GLY . 16393 1 4 392 ILE . 16393 1 5 393 ILE . 16393 1 6 394 MET . 16393 1 7 395 GLU . 16393 1 8 396 ASN . 16393 1 9 397 VAL . 16393 1 10 398 THR . 16393 1 11 399 ALA . 16393 1 12 400 PHE . 16393 1 13 401 TRP . 16393 1 14 402 GLU . 16393 1 15 403 GLU . 16393 1 16 404 GLY . 16393 1 17 405 PHE . 16393 1 18 406 GLY . 16393 1 19 407 GLU . 16393 1 20 408 LEU . 16393 1 21 409 LEU . 16393 1 22 410 GLU . 16393 1 23 411 LYS . 16393 1 24 412 VAL . 16393 1 25 413 GLN . 16393 1 26 414 GLN . 16393 1 27 415 SER . 16393 1 28 416 ASN . 16393 1 29 417 GLY . 16393 1 30 418 ASP . 16393 1 31 419 ARG . 16393 1 32 420 LYS . 16393 1 33 421 HIS . 16393 1 34 422 SER . 16393 1 35 423 SER . 16393 1 36 424 ASP . 16393 1 37 425 GLU . 16393 1 38 426 ASN . 16393 1 39 427 ASN . 16393 1 40 428 VAL . 16393 1 41 429 SER . 16393 1 42 430 PHE . 16393 1 43 431 SER . 16393 1 44 432 HIS . 16393 1 45 433 LEU . 16393 1 46 434 CYS . 16393 1 47 435 LEU . 16393 1 48 436 VAL . 16393 1 49 437 GLY . 16393 1 50 438 ASN . 16393 1 51 439 PRO . 16393 1 52 440 VAL . 16393 1 53 441 LEU . 16393 1 54 442 LYS . 16393 1 55 443 ASN . 16393 1 56 444 ILE . 16393 1 57 445 ASN . 16393 1 58 446 LEU . 16393 1 59 447 ASN . 16393 1 60 448 ILE . 16393 1 61 449 GLU . 16393 1 62 450 LYS . 16393 1 63 451 GLY . 16393 1 64 452 GLU . 16393 1 65 453 MET . 16393 1 66 454 LEU . 16393 1 67 455 ALA . 16393 1 68 456 ILE . 16393 1 69 457 THR . 16393 1 70 458 GLY . 16393 1 71 459 SER . 16393 1 72 460 THR . 16393 1 73 461 GLY . 16393 1 74 462 SER . 16393 1 75 463 GLY . 16393 1 76 464 LYS . 16393 1 77 465 THR . 16393 1 78 466 SER . 16393 1 79 467 LEU . 16393 1 80 468 LEU . 16393 1 81 469 MET . 16393 1 82 470 LEU . 16393 1 83 471 ILE . 16393 1 84 472 LEU . 16393 1 85 473 GLY . 16393 1 86 474 GLU . 16393 1 87 475 LEU . 16393 1 88 476 GLU . 16393 1 89 477 ALA . 16393 1 90 478 SER . 16393 1 91 479 GLU . 16393 1 92 480 GLY . 16393 1 93 481 ILE . 16393 1 94 482 ILE . 16393 1 95 483 LYS . 16393 1 96 484 HIS . 16393 1 97 485 SER . 16393 1 98 486 GLY . 16393 1 99 487 ARG . 16393 1 100 488 VAL . 16393 1 101 489 SER . 16393 1 102 490 PHE . 16393 1 103 491 CYS . 16393 1 104 492 SER . 16393 1 105 493 GLN . 16393 1 106 494 PHE . 16393 1 107 495 SER . 16393 1 108 496 TRP . 16393 1 109 497 ILE . 16393 1 110 498 MET . 16393 1 111 499 PRO . 16393 1 112 500 GLY . 16393 1 113 501 THR . 16393 1 114 502 ILE . 16393 1 115 503 LYS . 16393 1 116 504 GLU . 16393 1 117 505 ASN . 16393 1 118 506 ILE . 16393 1 119 507 ILE . 16393 1 120 508 PHE . 16393 1 121 509 GLY . 16393 1 122 510 VAL . 16393 1 123 511 SER . 16393 1 124 512 TYR . 16393 1 125 513 ASP . 16393 1 126 514 GLU . 16393 1 127 515 TYR . 16393 1 128 516 ARG . 16393 1 129 517 TYR . 16393 1 130 518 LYS . 16393 1 131 519 SER . 16393 1 132 520 VAL . 16393 1 133 521 VAL . 16393 1 134 522 LYS . 16393 1 135 523 ALA . 16393 1 136 524 CYS . 16393 1 137 525 GLN . 16393 1 138 526 LEU . 16393 1 139 527 GLN . 16393 1 140 528 GLN . 16393 1 141 529 ASP . 16393 1 142 530 ILE . 16393 1 143 531 THR . 16393 1 144 532 LYS . 16393 1 145 533 PHE . 16393 1 146 534 ALA . 16393 1 147 535 GLU . 16393 1 148 536 GLN . 16393 1 149 537 ASP . 16393 1 150 538 ASN . 16393 1 151 539 THR . 16393 1 152 540 VAL . 16393 1 153 541 LEU . 16393 1 154 542 GLY . 16393 1 155 543 GLU . 16393 1 156 544 GLY . 16393 1 157 545 GLY . 16393 1 158 546 VAL . 16393 1 159 547 THR . 16393 1 160 548 LEU . 16393 1 161 549 SER . 16393 1 162 550 GLY . 16393 1 163 551 GLY . 16393 1 164 552 GLN . 16393 1 165 553 ARG . 16393 1 166 554 ALA . 16393 1 167 555 ARG . 16393 1 168 556 ILE . 16393 1 169 557 SER . 16393 1 170 558 LEU . 16393 1 171 559 ALA . 16393 1 172 560 ARG . 16393 1 173 561 ALA . 16393 1 174 562 VAL . 16393 1 175 563 TYR . 16393 1 176 564 LYS . 16393 1 177 565 ASP . 16393 1 178 566 ALA . 16393 1 179 567 ASP . 16393 1 180 568 LEU . 16393 1 181 569 TYR . 16393 1 182 570 LEU . 16393 1 183 571 LEU . 16393 1 184 572 ASP . 16393 1 185 573 SER . 16393 1 186 574 PRO . 16393 1 187 575 PHE . 16393 1 188 576 GLY . 16393 1 189 577 TYR . 16393 1 190 578 LEU . 16393 1 191 579 ASP . 16393 1 192 580 VAL . 16393 1 193 581 PHE . 16393 1 194 582 THR . 16393 1 195 583 GLU . 16393 1 196 584 GLU . 16393 1 197 585 GLN . 16393 1 198 586 VAL . 16393 1 199 587 PHE . 16393 1 200 588 GLU . 16393 1 201 589 SER . 16393 1 202 590 CYS . 16393 1 203 591 VAL . 16393 1 204 592 CYS . 16393 1 205 593 LYS . 16393 1 206 594 LEU . 16393 1 207 595 MET . 16393 1 208 596 ALA . 16393 1 209 597 ASN . 16393 1 210 598 LYS . 16393 1 211 599 THR . 16393 1 212 600 ARG . 16393 1 213 601 ILE . 16393 1 214 602 LEU . 16393 1 215 603 VAL . 16393 1 216 604 THR . 16393 1 217 605 SER . 16393 1 218 606 LYS . 16393 1 219 607 MET . 16393 1 220 608 GLU . 16393 1 221 609 HIS . 16393 1 222 610 LEU . 16393 1 223 611 ARG . 16393 1 224 612 LYS . 16393 1 225 613 ALA . 16393 1 226 614 ASP . 16393 1 227 615 LYS . 16393 1 228 616 ILE . 16393 1 229 617 LEU . 16393 1 230 618 ILE . 16393 1 231 619 LEU . 16393 1 232 620 HIS . 16393 1 233 621 GLN . 16393 1 234 622 GLY . 16393 1 235 623 SER . 16393 1 236 624 SER . 16393 1 237 625 TYR . 16393 1 238 626 PHE . 16393 1 239 627 TYR . 16393 1 240 628 GLY . 16393 1 241 629 THR . 16393 1 242 630 PHE . 16393 1 243 631 SER . 16393 1 244 632 GLU . 16393 1 245 633 LEU . 16393 1 246 634 GLN . 16393 1 247 635 SER . 16393 1 248 636 LEU . 16393 1 249 637 ARG . 16393 1 250 638 PRO . 16393 1 251 639 ASP . 16393 1 252 640 PHE . 16393 1 253 641 SER . 16393 1 254 642 SER . 16393 1 255 643 LYS . 16393 1 256 644 LEU . 16393 1 257 645 MET . 16393 1 258 646 GLY . 16393 1 259 647 TYR . 16393 1 260 648 ASP . 16393 1 261 649 THR . 16393 1 262 650 PHE . 16393 1 263 651 ASP . 16393 1 264 652 GLN . 16393 1 265 653 PHE . 16393 1 266 654 THR . 16393 1 267 655 GLU . 16393 1 268 656 GLU . 16393 1 269 657 ARG . 16393 1 270 658 ARG . 16393 1 271 659 SER . 16393 1 272 660 SER . 16393 1 273 661 ILE . 16393 1 274 662 LEU . 16393 1 275 663 THR . 16393 1 276 664 GLU . 16393 1 277 665 THR . 16393 1 278 666 LEU . 16393 1 279 667 ARG . 16393 1 280 668 ARG . 16393 1 281 669 PHE . 16393 1 282 670 SER . 16393 1 283 671 VAL . 16393 1 284 672 ASP . 16393 1 285 673 ASP . 16393 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 . THR 1 1 16393 1 . THR 2 2 16393 1 . GLY 3 3 16393 1 . ILE 4 4 16393 1 . ILE 5 5 16393 1 . MET 6 6 16393 1 . GLU 7 7 16393 1 . ASN 8 8 16393 1 . VAL 9 9 16393 1 . THR 10 10 16393 1 . ALA 11 11 16393 1 . PHE 12 12 16393 1 . TRP 13 13 16393 1 . GLU 14 14 16393 1 . GLU 15 15 16393 1 . GLY 16 16 16393 1 . PHE 17 17 16393 1 . GLY 18 18 16393 1 . GLU 19 19 16393 1 . LEU 20 20 16393 1 . LEU 21 21 16393 1 . GLU 22 22 16393 1 . LYS 23 23 16393 1 . VAL 24 24 16393 1 . GLN 25 25 16393 1 . GLN 26 26 16393 1 . SER 27 27 16393 1 . ASN 28 28 16393 1 . GLY 29 29 16393 1 . ASP 30 30 16393 1 . ARG 31 31 16393 1 . LYS 32 32 16393 1 . HIS 33 33 16393 1 . SER 34 34 16393 1 . SER 35 35 16393 1 . ASP 36 36 16393 1 . GLU 37 37 16393 1 . ASN 38 38 16393 1 . ASN 39 39 16393 1 . VAL 40 40 16393 1 . SER 41 41 16393 1 . PHE 42 42 16393 1 . SER 43 43 16393 1 . HIS 44 44 16393 1 . LEU 45 45 16393 1 . CYS 46 46 16393 1 . LEU 47 47 16393 1 . VAL 48 48 16393 1 . GLY 49 49 16393 1 . ASN 50 50 16393 1 . PRO 51 51 16393 1 . VAL 52 52 16393 1 . LEU 53 53 16393 1 . LYS 54 54 16393 1 . ASN 55 55 16393 1 . ILE 56 56 16393 1 . ASN 57 57 16393 1 . LEU 58 58 16393 1 . ASN 59 59 16393 1 . ILE 60 60 16393 1 . GLU 61 61 16393 1 . LYS 62 62 16393 1 . GLY 63 63 16393 1 . GLU 64 64 16393 1 . MET 65 65 16393 1 . LEU 66 66 16393 1 . ALA 67 67 16393 1 . ILE 68 68 16393 1 . THR 69 69 16393 1 . GLY 70 70 16393 1 . SER 71 71 16393 1 . THR 72 72 16393 1 . GLY 73 73 16393 1 . SER 74 74 16393 1 . GLY 75 75 16393 1 . LYS 76 76 16393 1 . THR 77 77 16393 1 . SER 78 78 16393 1 . LEU 79 79 16393 1 . LEU 80 80 16393 1 . MET 81 81 16393 1 . LEU 82 82 16393 1 . ILE 83 83 16393 1 . LEU 84 84 16393 1 . GLY 85 85 16393 1 . GLU 86 86 16393 1 . LEU 87 87 16393 1 . GLU 88 88 16393 1 . ALA 89 89 16393 1 . SER 90 90 16393 1 . GLU 91 91 16393 1 . GLY 92 92 16393 1 . ILE 93 93 16393 1 . ILE 94 94 16393 1 . LYS 95 95 16393 1 . HIS 96 96 16393 1 . SER 97 97 16393 1 . GLY 98 98 16393 1 . ARG 99 99 16393 1 . VAL 100 100 16393 1 . SER 101 101 16393 1 . PHE 102 102 16393 1 . CYS 103 103 16393 1 . SER 104 104 16393 1 . GLN 105 105 16393 1 . PHE 106 106 16393 1 . SER 107 107 16393 1 . TRP 108 108 16393 1 . ILE 109 109 16393 1 . MET 110 110 16393 1 . PRO 111 111 16393 1 . GLY 112 112 16393 1 . THR 113 113 16393 1 . ILE 114 114 16393 1 . LYS 115 115 16393 1 . GLU 116 116 16393 1 . ASN 117 117 16393 1 . ILE 118 118 16393 1 . ILE 119 119 16393 1 . PHE 120 120 16393 1 . GLY 121 121 16393 1 . VAL 122 122 16393 1 . SER 123 123 16393 1 . TYR 124 124 16393 1 . ASP 125 125 16393 1 . GLU 126 126 16393 1 . TYR 127 127 16393 1 . ARG 128 128 16393 1 . TYR 129 129 16393 1 . LYS 130 130 16393 1 . SER 131 131 16393 1 . VAL 132 132 16393 1 . VAL 133 133 16393 1 . LYS 134 134 16393 1 . ALA 135 135 16393 1 . CYS 136 136 16393 1 . GLN 137 137 16393 1 . LEU 138 138 16393 1 . GLN 139 139 16393 1 . GLN 140 140 16393 1 . ASP 141 141 16393 1 . ILE 142 142 16393 1 . THR 143 143 16393 1 . LYS 144 144 16393 1 . PHE 145 145 16393 1 . ALA 146 146 16393 1 . GLU 147 147 16393 1 . GLN 148 148 16393 1 . ASP 149 149 16393 1 . ASN 150 150 16393 1 . THR 151 151 16393 1 . VAL 152 152 16393 1 . LEU 153 153 16393 1 . GLY 154 154 16393 1 . GLU 155 155 16393 1 . GLY 156 156 16393 1 . GLY 157 157 16393 1 . VAL 158 158 16393 1 . THR 159 159 16393 1 . LEU 160 160 16393 1 . SER 161 161 16393 1 . GLY 162 162 16393 1 . GLY 163 163 16393 1 . GLN 164 164 16393 1 . ARG 165 165 16393 1 . ALA 166 166 16393 1 . ARG 167 167 16393 1 . ILE 168 168 16393 1 . SER 169 169 16393 1 . LEU 170 170 16393 1 . ALA 171 171 16393 1 . ARG 172 172 16393 1 . ALA 173 173 16393 1 . VAL 174 174 16393 1 . TYR 175 175 16393 1 . LYS 176 176 16393 1 . ASP 177 177 16393 1 . ALA 178 178 16393 1 . ASP 179 179 16393 1 . LEU 180 180 16393 1 . TYR 181 181 16393 1 . LEU 182 182 16393 1 . LEU 183 183 16393 1 . ASP 184 184 16393 1 . SER 185 185 16393 1 . PRO 186 186 16393 1 . PHE 187 187 16393 1 . GLY 188 188 16393 1 . TYR 189 189 16393 1 . LEU 190 190 16393 1 . ASP 191 191 16393 1 . VAL 192 192 16393 1 . PHE 193 193 16393 1 . THR 194 194 16393 1 . GLU 195 195 16393 1 . GLU 196 196 16393 1 . GLN 197 197 16393 1 . VAL 198 198 16393 1 . PHE 199 199 16393 1 . GLU 200 200 16393 1 . SER 201 201 16393 1 . CYS 202 202 16393 1 . VAL 203 203 16393 1 . CYS 204 204 16393 1 . LYS 205 205 16393 1 . LEU 206 206 16393 1 . MET 207 207 16393 1 . ALA 208 208 16393 1 . ASN 209 209 16393 1 . LYS 210 210 16393 1 . THR 211 211 16393 1 . ARG 212 212 16393 1 . ILE 213 213 16393 1 . LEU 214 214 16393 1 . VAL 215 215 16393 1 . THR 216 216 16393 1 . SER 217 217 16393 1 . LYS 218 218 16393 1 . MET 219 219 16393 1 . GLU 220 220 16393 1 . HIS 221 221 16393 1 . LEU 222 222 16393 1 . ARG 223 223 16393 1 . LYS 224 224 16393 1 . ALA 225 225 16393 1 . ASP 226 226 16393 1 . LYS 227 227 16393 1 . ILE 228 228 16393 1 . LEU 229 229 16393 1 . ILE 230 230 16393 1 . LEU 231 231 16393 1 . HIS 232 232 16393 1 . GLN 233 233 16393 1 . GLY 234 234 16393 1 . SER 235 235 16393 1 . SER 236 236 16393 1 . TYR 237 237 16393 1 . PHE 238 238 16393 1 . TYR 239 239 16393 1 . GLY 240 240 16393 1 . THR 241 241 16393 1 . PHE 242 242 16393 1 . SER 243 243 16393 1 . GLU 244 244 16393 1 . LEU 245 245 16393 1 . GLN 246 246 16393 1 . SER 247 247 16393 1 . LEU 248 248 16393 1 . ARG 249 249 16393 1 . PRO 250 250 16393 1 . ASP 251 251 16393 1 . PHE 252 252 16393 1 . SER 253 253 16393 1 . SER 254 254 16393 1 . LYS 255 255 16393 1 . LEU 256 256 16393 1 . MET 257 257 16393 1 . GLY 258 258 16393 1 . TYR 259 259 16393 1 . ASP 260 260 16393 1 . THR 261 261 16393 1 . PHE 262 262 16393 1 . ASP 263 263 16393 1 . GLN 264 264 16393 1 . PHE 265 265 16393 1 . THR 266 266 16393 1 . GLU 267 267 16393 1 . GLU 268 268 16393 1 . ARG 269 269 16393 1 . ARG 270 270 16393 1 . SER 271 271 16393 1 . SER 272 272 16393 1 . ILE 273 273 16393 1 . LEU 274 274 16393 1 . THR 275 275 16393 1 . GLU 276 276 16393 1 . THR 277 277 16393 1 . LEU 278 278 16393 1 . ARG 279 279 16393 1 . ARG 280 280 16393 1 . PHE 281 281 16393 1 . SER 282 282 16393 1 . VAL 283 283 16393 1 . ASP 284 284 16393 1 . ASP 285 285 16393 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 16393 _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 $entity . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16393 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 16393 _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 $entity . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . pET-His-SUMO . . . . . . 16393 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16393 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'WT CFTR NBD1-RE' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 400 . . uM . . . . 16393 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16393 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16393 1 4 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16393 1 5 ATP 'natural abundance' . . . . . . 5 . . mM . . . . 16393 1 6 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16393 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16393 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16393 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16393 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'WT CFTR NBD1-RE' '[U-100% 13C; U-100% 15N; 50% 2H]' . . 1 $entity . . 500 . . mM . . . . 16393 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16393 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16393 2 4 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16393 2 5 ATP 'natural abundance' . . . . . . 5 . . mM . . . . 16393 2 6 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16393 2 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16393 2 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16393 2 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 16393 _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' 170 . mM 16393 1 pH 7 . pH 16393 1 pressure 1 . atm 16393 1 temperature 293 . K 16393 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16393 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16393 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16393 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16393 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16393 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16393 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16393 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16393 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16393 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16393 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16393 _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 Varian INOVA . 600 . . . 16393 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 16393 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16393 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16393 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16393 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 16393 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 16393 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 16393 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 16393 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 16393 _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 'The 1H and 15N shifts reported are from a protonated sample. The 13C shifts reported are from a sample that was 50% deuterated.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16393 1 2 '2D 1H-15N HSQC' . . . 16393 1 3 '3D HNCA' . . . 16393 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID '2H isotope effect' 'all 13C' 13 . . 16393 1 'TROSY offset' 'amide protons' 1 . . 16393 1 'TROSY offset' 'amide nitrogens' 15 . . 16393 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR H H 1 8.21 0.02 . 1 . . . . 390 THR HN . 16393 1 2 . 1 1 2 2 THR CA C 13 61.55 0.30 . 1 . . . . 390 THR CA . 16393 1 3 . 1 1 2 2 THR N N 15 117.10 0.30 . 1 . . . . 390 THR N . 16393 1 4 . 1 1 3 3 GLY H H 1 8.62 0.02 . 1 . . . . 391 GLY HN . 16393 1 5 . 1 1 3 3 GLY CA C 13 44.67 0.30 . 1 . . . . 391 GLY CA . 16393 1 6 . 1 1 3 3 GLY N N 15 114.41 0.30 . 1 . . . . 391 GLY N . 16393 1 7 . 1 1 4 4 ILE H H 1 8.58 0.02 . 1 . . . . 392 ILE HN . 16393 1 8 . 1 1 4 4 ILE CA C 13 59.80 0.30 . 1 . . . . 392 ILE CA . 16393 1 9 . 1 1 4 4 ILE N N 15 120.38 0.30 . 1 . . . . 392 ILE N . 16393 1 10 . 1 1 5 5 ILE H H 1 8.55 0.02 . 1 . . . . 393 ILE HN . 16393 1 11 . 1 1 5 5 ILE CA C 13 59.30 0.30 . 1 . . . . 393 ILE CA . 16393 1 12 . 1 1 5 5 ILE N N 15 126.60 0.30 . 1 . . . . 393 ILE N . 16393 1 13 . 1 1 6 6 MET H H 1 8.91 0.02 . 1 . . . . 394 MET HN . 16393 1 14 . 1 1 6 6 MET CA C 13 55.15 0.30 . 1 . . . . 394 MET CA . 16393 1 15 . 1 1 6 6 MET N N 15 124.25 0.30 . 1 . . . . 394 MET N . 16393 1 16 . 1 1 7 7 GLU H H 1 9.20 0.02 . 1 . . . . 395 GLU HN . 16393 1 17 . 1 1 7 7 GLU CA C 13 54.26 0.30 . 1 . . . . 395 GLU CA . 16393 1 18 . 1 1 7 7 GLU N N 15 125.22 0.30 . 1 . . . . 395 GLU N . 16393 1 19 . 1 1 8 8 ASN H H 1 8.90 0.02 . 1 . . . . 396 ASN HN . 16393 1 20 . 1 1 8 8 ASN CA C 13 53.77 0.30 . 1 . . . . 396 ASN CA . 16393 1 21 . 1 1 8 8 ASN N N 15 124.97 0.30 . 1 . . . . 396 ASN N . 16393 1 22 . 1 1 9 9 VAL H H 1 8.55 0.02 . 1 . . . . 397 VAL HN . 16393 1 23 . 1 1 9 9 VAL CA C 13 63.04 0.30 . 1 . . . . 397 VAL CA . 16393 1 24 . 1 1 9 9 VAL N N 15 121.16 0.30 . 1 . . . . 397 VAL N . 16393 1 25 . 1 1 10 10 THR H H 1 7.83 0.02 . 1 . . . . 398 THR HN . 16393 1 26 . 1 1 10 10 THR CA C 13 60.57 0.30 . 1 . . . . 398 THR CA . 16393 1 27 . 1 1 10 10 THR N N 15 124.69 0.30 . 1 . . . . 398 THR N . 16393 1 28 . 1 1 11 11 ALA H H 1 8.68 0.02 . 1 . . . . 399 ALA HN . 16393 1 29 . 1 1 11 11 ALA CA C 13 50.77 0.30 . 1 . . . . 399 ALA CA . 16393 1 30 . 1 1 11 11 ALA N N 15 127.77 0.30 . 1 . . . . 399 ALA N . 16393 1 31 . 1 1 12 12 PHE H H 1 9.09 0.02 . 1 . . . . 400 PHE HN . 16393 1 32 . 1 1 12 12 PHE CA C 13 56.35 0.30 . 1 . . . . 400 PHE CA . 16393 1 33 . 1 1 12 12 PHE N N 15 120.81 0.30 . 1 . . . . 400 PHE N . 16393 1 34 . 1 1 13 13 TRP H H 1 8.79 0.02 . 1 . . . . 401 TRP HN . 16393 1 35 . 1 1 13 13 TRP CA C 13 58.06 0.30 . 1 . . . . 401 TRP CA . 16393 1 36 . 1 1 13 13 TRP N N 15 122.38 0.30 . 1 . . . . 401 TRP N . 16393 1 37 . 1 1 35 35 SER H H 1 8.49 0.02 . 1 . . . . 423 SER HN . 16393 1 38 . 1 1 35 35 SER CA C 13 58.35 0.30 . 1 . . . . 423 SER CA . 16393 1 39 . 1 1 35 35 SER N N 15 118.75 0.30 . 1 . . . . 423 SER N . 16393 1 40 . 1 1 36 36 ASP H H 1 8.29 0.02 . 1 . . . . 424 ASP HN . 16393 1 41 . 1 1 36 36 ASP CA C 13 54.29 0.30 . 1 . . . . 424 ASP CA . 16393 1 42 . 1 1 36 36 ASP N N 15 122.87 0.30 . 1 . . . . 424 ASP N . 16393 1 43 . 1 1 37 37 GLU H H 1 8.30 0.02 . 1 . . . . 425 GLU HN . 16393 1 44 . 1 1 37 37 GLU CA C 13 56.73 0.30 . 1 . . . . 425 GLU CA . 16393 1 45 . 1 1 37 37 GLU N N 15 121.56 0.30 . 1 . . . . 425 GLU N . 16393 1 46 . 1 1 38 38 ASN H H 1 8.36 0.02 . 1 . . . . 426 ASN HN . 16393 1 47 . 1 1 38 38 ASN CA C 13 53.18 0.30 . 1 . . . . 426 ASN CA . 16393 1 48 . 1 1 38 38 ASN N N 15 119.28 0.30 . 1 . . . . 426 ASN N . 16393 1 49 . 1 1 39 39 ASN H H 1 8.22 0.02 . 1 . . . . 427 ASN HN . 16393 1 50 . 1 1 39 39 ASN CA C 13 53.16 0.30 . 1 . . . . 427 ASN CA . 16393 1 51 . 1 1 39 39 ASN N N 15 119.96 0.30 . 1 . . . . 427 ASN N . 16393 1 52 . 1 1 40 40 VAL H H 1 8.04 0.02 . 1 . . . . 428 VAL HN . 16393 1 53 . 1 1 40 40 VAL CA C 13 62.14 0.30 . 1 . . . . 428 VAL CA . 16393 1 54 . 1 1 40 40 VAL N N 15 120.92 0.30 . 1 . . . . 428 VAL N . 16393 1 55 . 1 1 41 41 SER H H 1 8.27 0.02 . 1 . . . . 429 SER HN . 16393 1 56 . 1 1 41 41 SER CA C 13 58.04 0.30 . 1 . . . . 429 SER CA . 16393 1 57 . 1 1 41 41 SER N N 15 119.65 0.30 . 1 . . . . 429 SER N . 16393 1 58 . 1 1 42 42 PHE H H 1 8.19 0.02 . 1 . . . . 430 PHE HN . 16393 1 59 . 1 1 42 42 PHE CA C 13 57.69 0.30 . 1 . . . . 430 PHE CA . 16393 1 60 . 1 1 42 42 PHE N N 15 122.83 0.30 . 1 . . . . 430 PHE N . 16393 1 61 . 1 1 43 43 SER H H 1 8.18 0.02 . 1 . . . . 431 SER HN . 16393 1 62 . 1 1 43 43 SER CA C 13 58.63 0.30 . 1 . . . . 431 SER CA . 16393 1 63 . 1 1 43 43 SER N N 15 117.43 0.30 . 1 . . . . 431 SER N . 16393 1 64 . 1 1 46 46 CYS H H 1 8.34 0.02 . 1 . . . . 434 CYS HN . 16393 1 65 . 1 1 46 46 CYS CA C 13 58.73 0.30 . 1 . . . . 434 CYS CA . 16393 1 66 . 1 1 46 46 CYS N N 15 120.67 0.30 . 1 . . . . 434 CYS N . 16393 1 67 . 1 1 47 47 LEU H H 1 8.05 0.02 . 1 . . . . 435 LEU HN . 16393 1 68 . 1 1 47 47 LEU CA C 13 54.56 0.30 . 1 . . . . 435 LEU CA . 16393 1 69 . 1 1 47 47 LEU N N 15 124.61 0.30 . 1 . . . . 435 LEU N . 16393 1 70 . 1 1 48 48 VAL H H 1 8.01 0.02 . 1 . . . . 436 VAL HN . 16393 1 71 . 1 1 48 48 VAL CA C 13 62.38 0.30 . 1 . . . . 436 VAL CA . 16393 1 72 . 1 1 48 48 VAL N N 15 120.21 0.30 . 1 . . . . 436 VAL N . 16393 1 73 . 1 1 49 49 GLY H H 1 8.37 0.02 . 1 . . . . 437 GLY HN . 16393 1 74 . 1 1 49 49 GLY CA C 13 44.66 0.30 . 1 . . . . 437 GLY CA . 16393 1 75 . 1 1 49 49 GLY N N 15 112.28 0.30 . 1 . . . . 437 GLY N . 16393 1 76 . 1 1 50 50 ASN H H 1 8.42 0.02 . 1 . . . . 438 ASN HN . 16393 1 77 . 1 1 50 50 ASN CA C 13 50.48 0.30 . 1 . . . . 438 ASN CA . 16393 1 78 . 1 1 50 50 ASN N N 15 120.05 0.30 . 1 . . . . 438 ASN N . 16393 1 79 . 1 1 53 53 LEU H H 1 6.94 0.02 . 1 . . . . 441 LEU HN . 16393 1 80 . 1 1 53 53 LEU CA C 13 52.74 0.30 . 1 . . . . 441 LEU CA . 16393 1 81 . 1 1 53 53 LEU N N 15 119.98 0.30 . 1 . . . . 441 LEU N . 16393 1 82 . 1 1 54 54 LYS H H 1 8.60 0.02 . 1 . . . . 442 LYS HN . 16393 1 83 . 1 1 54 54 LYS CA C 13 54.57 0.30 . 1 . . . . 442 LYS CA . 16393 1 84 . 1 1 54 54 LYS N N 15 121.67 0.30 . 1 . . . . 442 LYS N . 16393 1 85 . 1 1 55 55 ASN H H 1 7.90 0.02 . 1 . . . . 443 ASN HN . 16393 1 86 . 1 1 55 55 ASN CA C 13 53.80 0.30 . 1 . . . . 443 ASN CA . 16393 1 87 . 1 1 55 55 ASN N N 15 122.72 0.30 . 1 . . . . 443 ASN N . 16393 1 88 . 1 1 56 56 ILE H H 1 9.39 0.02 . 1 . . . . 444 ILE HN . 16393 1 89 . 1 1 56 56 ILE CA C 13 59.49 0.30 . 1 . . . . 444 ILE CA . 16393 1 90 . 1 1 56 56 ILE N N 15 120.31 0.30 . 1 . . . . 444 ILE N . 16393 1 91 . 1 1 57 57 ASN H H 1 7.42 0.02 . 1 . . . . 445 ASN HN . 16393 1 92 . 1 1 57 57 ASN CA C 13 51.69 0.30 . 1 . . . . 445 ASN CA . 16393 1 93 . 1 1 57 57 ASN N N 15 123.45 0.30 . 1 . . . . 445 ASN N . 16393 1 94 . 1 1 58 58 LEU H H 1 8.71 0.02 . 1 . . . . 446 LEU HN . 16393 1 95 . 1 1 58 58 LEU CA C 13 55.20 0.30 . 1 . . . . 446 LEU CA . 16393 1 96 . 1 1 58 58 LEU N N 15 117.16 0.30 . 1 . . . . 446 LEU N . 16393 1 97 . 1 1 59 59 ASN H H 1 7.96 0.02 . 1 . . . . 447 ASN HN . 16393 1 98 . 1 1 59 59 ASN CA C 13 53.88 0.30 . 1 . . . . 447 ASN CA . 16393 1 99 . 1 1 59 59 ASN N N 15 120.01 0.30 . 1 . . . . 447 ASN N . 16393 1 100 . 1 1 60 60 ILE H H 1 8.90 0.02 . 1 . . . . 448 ILE HN . 16393 1 101 . 1 1 60 60 ILE CA C 13 57.75 0.30 . 1 . . . . 448 ILE CA . 16393 1 102 . 1 1 60 60 ILE N N 15 124.97 0.30 . 1 . . . . 448 ILE N . 16393 1 103 . 1 1 61 61 GLU H H 1 9.06 0.02 . 1 . . . . 449 GLU HN . 16393 1 104 . 1 1 61 61 GLU CA C 13 54.73 0.30 . 1 . . . . 449 GLU CA . 16393 1 105 . 1 1 61 61 GLU N N 15 128.81 0.30 . 1 . . . . 449 GLU N . 16393 1 106 . 1 1 62 62 LYS H H 1 8.34 0.02 . 1 . . . . 450 LYS HN . 16393 1 107 . 1 1 62 62 LYS CA C 13 57.45 0.30 . 1 . . . . 450 LYS CA . 16393 1 108 . 1 1 62 62 LYS N N 15 120.67 0.30 . 1 . . . . 450 LYS N . 16393 1 109 . 1 1 63 63 GLY H H 1 8.81 0.02 . 1 . . . . 451 GLY HN . 16393 1 110 . 1 1 63 63 GLY CA C 13 44.56 0.30 . 1 . . . . 451 GLY CA . 16393 1 111 . 1 1 63 63 GLY N N 15 115.02 0.30 . 1 . . . . 451 GLY N . 16393 1 112 . 1 1 64 64 GLU H H 1 7.96 0.02 . 1 . . . . 452 GLU HN . 16393 1 113 . 1 1 64 64 GLU CA C 13 56.05 0.30 . 1 . . . . 452 GLU CA . 16393 1 114 . 1 1 64 64 GLU N N 15 120.71 0.30 . 1 . . . . 452 GLU N . 16393 1 115 . 1 1 65 65 MET H H 1 9.71 0.02 . 1 . . . . 453 MET HN . 16393 1 116 . 1 1 65 65 MET CA C 13 53.54 0.30 . 1 . . . . 453 MET CA . 16393 1 117 . 1 1 65 65 MET N N 15 119.15 0.30 . 1 . . . . 453 MET N . 16393 1 118 . 1 1 66 66 LEU H H 1 9.05 0.02 . 1 . . . . 454 LEU HN . 16393 1 119 . 1 1 66 66 LEU CA C 13 52.03 0.30 . 1 . . . . 454 LEU CA . 16393 1 120 . 1 1 66 66 LEU N N 15 131.06 0.30 . 1 . . . . 454 LEU N . 16393 1 121 . 1 1 67 67 ALA H H 1 8.95 0.02 . 1 . . . . 455 ALA HN . 16393 1 122 . 1 1 67 67 ALA CA C 13 49.26 0.30 . 1 . . . . 455 ALA CA . 16393 1 123 . 1 1 67 67 ALA N N 15 130.33 0.30 . 1 . . . . 455 ALA N . 16393 1 124 . 1 1 68 68 ILE H H 1 9.35 0.02 . 1 . . . . 456 ILE HN . 16393 1 125 . 1 1 68 68 ILE CA C 13 59.10 0.30 . 1 . . . . 456 ILE CA . 16393 1 126 . 1 1 68 68 ILE N N 15 122.92 0.30 . 1 . . . . 456 ILE N . 16393 1 127 . 1 1 69 69 THR H H 1 9.09 0.02 . 1 . . . . 457 THR HN . 16393 1 128 . 1 1 69 69 THR CA C 13 62.20 0.30 . 1 . . . . 457 THR CA . 16393 1 129 . 1 1 69 69 THR N N 15 120.81 0.30 . 1 . . . . 457 THR N . 16393 1 130 . 1 1 78 78 SER CA C 13 64.20 0.30 . 1 . . . . 466 SER CA . 16393 1 131 . 1 1 79 79 LEU H H 1 8.18 0.02 . 1 . . . . 467 LEU HN . 16393 1 132 . 1 1 79 79 LEU CA C 13 58.69 0.30 . 1 . . . . 467 LEU CA . 16393 1 133 . 1 1 79 79 LEU N N 15 124.33 0.30 . 1 . . . . 467 LEU N . 16393 1 134 . 1 1 80 80 LEU H H 1 7.26 0.02 . 1 . . . . 468 LEU HN . 16393 1 135 . 1 1 80 80 LEU CA C 13 57.93 0.30 . 1 . . . . 468 LEU CA . 16393 1 136 . 1 1 80 80 LEU N N 15 118.64 0.30 . 1 . . . . 468 LEU N . 16393 1 137 . 1 1 81 81 MET H H 1 8.35 0.02 . 1 . . . . 469 MET HN . 16393 1 138 . 1 1 81 81 MET CA C 13 56.56 0.30 . 1 . . . . 469 MET CA . 16393 1 139 . 1 1 81 81 MET N N 15 118.14 0.30 . 1 . . . . 469 MET N . 16393 1 140 . 1 1 82 82 LEU H H 1 7.94 0.02 . 1 . . . . 470 LEU HN . 16393 1 141 . 1 1 82 82 LEU CA C 13 56.80 0.30 . 1 . . . . 470 LEU CA . 16393 1 142 . 1 1 82 82 LEU N N 15 123.97 0.30 . 1 . . . . 470 LEU N . 16393 1 143 . 1 1 83 83 ILE H H 1 7.35 0.02 . 1 . . . . 471 ILE HN . 16393 1 144 . 1 1 83 83 ILE CA C 13 64.90 0.30 . 1 . . . . 471 ILE CA . 16393 1 145 . 1 1 83 83 ILE N N 15 122.44 0.30 . 1 . . . . 471 ILE N . 16393 1 146 . 1 1 84 84 LEU H H 1 7.81 0.02 . 1 . . . . 472 LEU HN . 16393 1 147 . 1 1 84 84 LEU CA C 13 55.62 0.30 . 1 . . . . 472 LEU CA . 16393 1 148 . 1 1 84 84 LEU N N 15 117.56 0.30 . 1 . . . . 472 LEU N . 16393 1 149 . 1 1 85 85 GLY H H 1 7.48 0.02 . 1 . . . . 473 GLY HN . 16393 1 150 . 1 1 85 85 GLY CA C 13 44.48 0.30 . 1 . . . . 473 GLY CA . 16393 1 151 . 1 1 85 85 GLY N N 15 105.55 0.30 . 1 . . . . 473 GLY N . 16393 1 152 . 1 1 86 86 GLU H H 1 7.56 0.02 . 1 . . . . 474 GLU HN . 16393 1 153 . 1 1 86 86 GLU CA C 13 56.56 0.30 . 1 . . . . 474 GLU CA . 16393 1 154 . 1 1 86 86 GLU N N 15 119.50 0.30 . 1 . . . . 474 GLU N . 16393 1 155 . 1 1 87 87 LEU H H 1 6.67 0.02 . 1 . . . . 475 LEU HN . 16393 1 156 . 1 1 87 87 LEU CA C 13 52.59 0.30 . 1 . . . . 475 LEU CA . 16393 1 157 . 1 1 87 87 LEU N N 15 119.23 0.30 . 1 . . . . 475 LEU N . 16393 1 158 . 1 1 88 88 GLU H H 1 8.19 0.02 . 1 . . . . 476 GLU HN . 16393 1 159 . 1 1 88 88 GLU CA C 13 54.54 0.30 . 1 . . . . 476 GLU CA . 16393 1 160 . 1 1 88 88 GLU N N 15 123.46 0.30 . 1 . . . . 476 GLU N . 16393 1 161 . 1 1 89 89 ALA H H 1 8.79 0.02 . 1 . . . . 477 ALA HN . 16393 1 162 . 1 1 89 89 ALA CA C 13 51.50 0.30 . 1 . . . . 477 ALA CA . 16393 1 163 . 1 1 89 89 ALA N N 15 126.14 0.30 . 1 . . . . 477 ALA N . 16393 1 164 . 1 1 90 90 SER H H 1 8.84 0.02 . 1 . . . . 478 SER HN . 16393 1 165 . 1 1 90 90 SER CA C 13 59.92 0.30 . 1 . . . . 478 SER CA . 16393 1 166 . 1 1 90 90 SER N N 15 120.72 0.30 . 1 . . . . 478 SER N . 16393 1 167 . 1 1 91 91 GLU H H 1 7.84 0.02 . 1 . . . . 479 GLU HN . 16393 1 168 . 1 1 91 91 GLU CA C 13 54.88 0.30 . 1 . . . . 479 GLU CA . 16393 1 169 . 1 1 91 91 GLU N N 15 119.92 0.30 . 1 . . . . 479 GLU N . 16393 1 170 . 1 1 92 92 GLY H H 1 8.28 0.02 . 1 . . . . 480 GLY HN . 16393 1 171 . 1 1 92 92 GLY CA C 13 44.45 0.30 . 1 . . . . 480 GLY CA . 16393 1 172 . 1 1 92 92 GLY N N 15 108.94 0.30 . 1 . . . . 480 GLY N . 16393 1 173 . 1 1 93 93 ILE H H 1 7.99 0.02 . 1 . . . . 481 ILE HN . 16393 1 174 . 1 1 93 93 ILE CA C 13 59.37 0.30 . 1 . . . . 481 ILE CA . 16393 1 175 . 1 1 93 93 ILE N N 15 118.07 0.30 . 1 . . . . 481 ILE N . 16393 1 176 . 1 1 94 94 ILE H H 1 8.28 0.02 . 1 . . . . 482 ILE HN . 16393 1 177 . 1 1 94 94 ILE CA C 13 59.68 0.30 . 1 . . . . 482 ILE CA . 16393 1 178 . 1 1 94 94 ILE N N 15 125.46 0.30 . 1 . . . . 482 ILE N . 16393 1 179 . 1 1 95 95 LYS H H 1 9.10 0.02 . 1 . . . . 483 LYS HN . 16393 1 180 . 1 1 95 95 LYS CA C 13 54.89 0.30 . 1 . . . . 483 LYS CA . 16393 1 181 . 1 1 95 95 LYS N N 15 127.46 0.30 . 1 . . . . 483 LYS N . 16393 1 182 . 1 1 96 96 HIS H H 1 7.94 0.02 . 1 . . . . 484 HIS HN . 16393 1 183 . 1 1 96 96 HIS CA C 13 55.96 0.30 . 1 . . . . 484 HIS CA . 16393 1 184 . 1 1 96 96 HIS N N 15 118.91 0.30 . 1 . . . . 484 HIS N . 16393 1 185 . 1 1 98 98 GLY CA C 13 45.03 0.30 . 1 . . . . 486 GLY CA . 16393 1 186 . 1 1 99 99 ARG H H 1 8.42 0.02 . 1 . . . . 487 ARG HN . 16393 1 187 . 1 1 99 99 ARG CA C 13 55.30 0.30 . 1 . . . . 487 ARG CA . 16393 1 188 . 1 1 99 99 ARG N N 15 122.66 0.30 . 1 . . . . 487 ARG N . 16393 1 189 . 1 1 100 100 VAL H H 1 8.50 0.02 . 1 . . . . 488 VAL HN . 16393 1 190 . 1 1 100 100 VAL CA C 13 59.81 0.30 . 1 . . . . 488 VAL CA . 16393 1 191 . 1 1 100 100 VAL N N 15 125.03 0.30 . 1 . . . . 488 VAL N . 16393 1 192 . 1 1 101 101 SER H H 1 8.12 0.02 . 1 . . . . 489 SER HN . 16393 1 193 . 1 1 101 101 SER CA C 13 55.48 0.30 . 1 . . . . 489 SER CA . 16393 1 194 . 1 1 101 101 SER N N 15 119.24 0.30 . 1 . . . . 489 SER N . 16393 1 195 . 1 1 102 102 PHE H H 1 8.87 0.02 . 1 . . . . 490 PHE HN . 16393 1 196 . 1 1 102 102 PHE CA C 13 54.97 0.30 . 1 . . . . 490 PHE CA . 16393 1 197 . 1 1 102 102 PHE N N 15 130.32 0.30 . 1 . . . . 490 PHE N . 16393 1 198 . 1 1 103 103 CYS H H 1 8.78 0.02 . 1 . . . . 491 CYS HN . 16393 1 199 . 1 1 103 103 CYS CA C 13 56.53 0.30 . 1 . . . . 491 CYS CA . 16393 1 200 . 1 1 103 103 CYS N N 15 130.59 0.30 . 1 . . . . 491 CYS N . 16393 1 201 . 1 1 104 104 SER H H 1 8.02 0.02 . 1 . . . . 492 SER HN . 16393 1 202 . 1 1 104 104 SER CA C 13 56.82 0.30 . 1 . . . . 492 SER CA . 16393 1 203 . 1 1 104 104 SER N N 15 121.64 0.30 . 1 . . . . 492 SER N . 16393 1 204 . 1 1 105 105 GLN H H 1 9.13 0.02 . 1 . . . . 493 GLN HN . 16393 1 205 . 1 1 105 105 GLN N N 15 123.92 0.30 . 1 . . . . 493 GLN N . 16393 1 206 . 1 1 106 106 PHE H H 1 7.88 0.02 . 1 . . . . 494 PHE HN . 16393 1 207 . 1 1 106 106 PHE CA C 13 55.76 0.30 . 1 . . . . 494 PHE CA . 16393 1 208 . 1 1 106 106 PHE N N 15 118.61 0.30 . 1 . . . . 494 PHE N . 16393 1 209 . 1 1 108 108 TRP CA C 13 55.17 0.30 . 1 . . . . 496 TRP CA . 16393 1 210 . 1 1 109 109 ILE H H 1 8.71 0.02 . 1 . . . . 497 ILE HN . 16393 1 211 . 1 1 109 109 ILE N N 15 117.16 0.30 . 1 . . . . 497 ILE N . 16393 1 212 . 1 1 111 111 PRO CA C 13 63.01 0.30 . 1 . . . . 499 PRO CA . 16393 1 213 . 1 1 112 112 GLY H H 1 7.85 0.02 . 1 . . . . 500 GLY HN . 16393 1 214 . 1 1 112 112 GLY CA C 13 43.55 0.30 . 1 . . . . 500 GLY CA . 16393 1 215 . 1 1 112 112 GLY N N 15 113.48 0.30 . 1 . . . . 500 GLY N . 16393 1 216 . 1 1 113 113 THR H H 1 9.08 0.02 . 1 . . . . 501 THR HN . 16393 1 217 . 1 1 113 113 THR CA C 13 60.97 0.30 . 1 . . . . 501 THR CA . 16393 1 218 . 1 1 113 113 THR N N 15 111.71 0.30 . 1 . . . . 501 THR N . 16393 1 219 . 1 1 114 114 ILE H H 1 7.75 0.02 . 1 . . . . 502 ILE HN . 16393 1 220 . 1 1 114 114 ILE CA C 13 66.80 0.30 . 1 . . . . 502 ILE CA . 16393 1 221 . 1 1 114 114 ILE N N 15 123.00 0.30 . 1 . . . . 502 ILE N . 16393 1 222 . 1 1 115 115 LYS H H 1 8.27 0.02 . 1 . . . . 503 LYS HN . 16393 1 223 . 1 1 115 115 LYS CA C 13 59.81 0.30 . 1 . . . . 503 LYS CA . 16393 1 224 . 1 1 115 115 LYS N N 15 119.65 0.30 . 1 . . . . 503 LYS N . 16393 1 225 . 1 1 116 116 GLU H H 1 8.14 0.02 . 1 . . . . 504 GLU HN . 16393 1 226 . 1 1 116 116 GLU CA C 13 58.69 0.30 . 1 . . . . 504 GLU CA . 16393 1 227 . 1 1 116 116 GLU N N 15 117.61 0.30 . 1 . . . . 504 GLU N . 16393 1 228 . 1 1 117 117 ASN H H 1 8.22 0.02 . 1 . . . . 505 ASN HN . 16393 1 229 . 1 1 117 117 ASN CA C 13 57.52 0.30 . 1 . . . . 505 ASN CA . 16393 1 230 . 1 1 117 117 ASN N N 15 118.19 0.30 . 1 . . . . 505 ASN N . 16393 1 231 . 1 1 118 118 ILE H H 1 7.70 0.02 . 1 . . . . 506 ILE HN . 16393 1 232 . 1 1 118 118 ILE CA C 13 65.19 0.30 . 1 . . . . 506 ILE CA . 16393 1 233 . 1 1 118 118 ILE N N 15 119.52 0.30 . 1 . . . . 506 ILE N . 16393 1 234 . 1 1 119 119 ILE H H 1 8.00 0.02 . 1 . . . . 507 ILE HN . 16393 1 235 . 1 1 119 119 ILE CA C 13 62.26 0.30 . 1 . . . . 507 ILE CA . 16393 1 236 . 1 1 119 119 ILE N N 15 111.86 0.30 . 1 . . . . 507 ILE N . 16393 1 237 . 1 1 120 120 PHE H H 1 7.56 0.02 . 1 . . . . 508 PHE HN . 16393 1 238 . 1 1 120 120 PHE CA C 13 58.92 0.30 . 1 . . . . 508 PHE CA . 16393 1 239 . 1 1 120 120 PHE N N 15 122.22 0.30 . 1 . . . . 508 PHE N . 16393 1 240 . 1 1 121 121 GLY H H 1 8.33 0.02 . 1 . . . . 509 GLY HN . 16393 1 241 . 1 1 121 121 GLY N N 15 109.71 0.30 . 1 . . . . 509 GLY N . 16393 1 242 . 1 1 122 122 VAL H H 1 8.17 0.02 . 1 . . . . 510 VAL HN . 16393 1 243 . 1 1 122 122 VAL CA C 13 60.90 0.30 . 1 . . . . 510 VAL CA . 16393 1 244 . 1 1 122 122 VAL N N 15 121.88 0.30 . 1 . . . . 510 VAL N . 16393 1 245 . 1 1 123 123 SER H H 1 8.22 0.02 . 1 . . . . 511 SER HN . 16393 1 246 . 1 1 123 123 SER CA C 13 59.15 0.30 . 1 . . . . 511 SER CA . 16393 1 247 . 1 1 123 123 SER N N 15 118.19 0.30 . 1 . . . . 511 SER N . 16393 1 248 . 1 1 135 135 ALA CA C 13 54.95 0.30 . 1 . . . . 523 ALA CA . 16393 1 249 . 1 1 136 136 CYS H H 1 7.86 0.02 . 1 . . . . 524 CYS HN . 16393 1 250 . 1 1 136 136 CYS CA C 13 60.68 0.30 . 1 . . . . 524 CYS CA . 16393 1 251 . 1 1 136 136 CYS N N 15 112.26 0.30 . 1 . . . . 524 CYS N . 16393 1 252 . 1 1 137 137 GLN H H 1 7.74 0.02 . 1 . . . . 525 GLN HN . 16393 1 253 . 1 1 137 137 GLN N N 15 110.28 0.30 . 1 . . . . 525 GLN N . 16393 1 254 . 1 1 139 139 GLN H H 1 7.89 0.02 . 1 . . . . 527 GLN HN . 16393 1 255 . 1 1 139 139 GLN N N 15 123.17 0.30 . 1 . . . . 527 GLN N . 16393 1 256 . 1 1 140 140 GLN CA C 13 58.15 0.30 . 1 . . . . 528 GLN CA . 16393 1 257 . 1 1 141 141 ASP H H 1 7.60 0.02 . 1 . . . . 529 ASP HN . 16393 1 258 . 1 1 141 141 ASP CA C 13 56.58 0.30 . 1 . . . . 529 ASP CA . 16393 1 259 . 1 1 141 141 ASP N N 15 118.98 0.30 . 1 . . . . 529 ASP N . 16393 1 260 . 1 1 143 143 THR H H 1 7.67 0.02 . 1 . . . . 531 THR HN . 16393 1 261 . 1 1 143 143 THR CA C 13 64.43 0.30 . 1 . . . . 531 THR CA . 16393 1 262 . 1 1 143 143 THR N N 15 110.31 0.30 . 1 . . . . 531 THR N . 16393 1 263 . 1 1 144 144 LYS H H 1 7.01 0.02 . 1 . . . . 532 LYS HN . 16393 1 264 . 1 1 144 144 LYS CA C 13 56.57 0.30 . 1 . . . . 532 LYS CA . 16393 1 265 . 1 1 144 144 LYS N N 15 118.97 0.30 . 1 . . . . 532 LYS N . 16393 1 266 . 1 1 145 145 PHE H H 1 7.32 0.02 . 1 . . . . 533 PHE HN . 16393 1 267 . 1 1 145 145 PHE CA C 13 56.70 0.30 . 1 . . . . 533 PHE CA . 16393 1 268 . 1 1 145 145 PHE N N 15 120.20 0.30 . 1 . . . . 533 PHE N . 16393 1 269 . 1 1 146 146 ALA H H 1 9.25 0.02 . 1 . . . . 534 ALA HN . 16393 1 270 . 1 1 146 146 ALA CA C 13 55.76 0.30 . 1 . . . . 534 ALA CA . 16393 1 271 . 1 1 146 146 ALA N N 15 128.90 0.30 . 1 . . . . 534 ALA N . 16393 1 272 . 1 1 147 147 GLU H H 1 8.10 0.02 . 1 . . . . 535 GLU HN . 16393 1 273 . 1 1 147 147 GLU CA C 13 54.61 0.30 . 1 . . . . 535 GLU CA . 16393 1 274 . 1 1 147 147 GLU N N 15 112.86 0.30 . 1 . . . . 535 GLU N . 16393 1 275 . 1 1 148 148 GLN H H 1 8.00 0.02 . 1 . . . . 536 GLN HN . 16393 1 276 . 1 1 148 148 GLN CA C 13 57.09 0.30 . 1 . . . . 536 GLN CA . 16393 1 277 . 1 1 148 148 GLN N N 15 116.62 0.30 . 1 . . . . 536 GLN N . 16393 1 278 . 1 1 149 149 ASP H H 1 9.03 0.02 . 1 . . . . 537 ASP HN . 16393 1 279 . 1 1 149 149 ASP CA C 13 55.34 0.30 . 1 . . . . 537 ASP CA . 16393 1 280 . 1 1 149 149 ASP N N 15 122.40 0.30 . 1 . . . . 537 ASP N . 16393 1 281 . 1 1 150 150 ASN H H 1 8.13 0.02 . 1 . . . . 538 ASN HN . 16393 1 282 . 1 1 150 150 ASN CA C 13 52.40 0.30 . 1 . . . . 538 ASN CA . 16393 1 283 . 1 1 150 150 ASN N N 15 114.49 0.30 . 1 . . . . 538 ASN N . 16393 1 284 . 1 1 151 151 THR H H 1 7.33 0.02 . 1 . . . . 539 THR HN . 16393 1 285 . 1 1 151 151 THR CA C 13 64.59 0.30 . 1 . . . . 539 THR CA . 16393 1 286 . 1 1 151 151 THR N N 15 119.87 0.30 . 1 . . . . 539 THR N . 16393 1 287 . 1 1 152 152 VAL H H 1 8.47 0.02 . 1 . . . . 540 VAL HN . 16393 1 288 . 1 1 152 152 VAL CA C 13 63.78 0.30 . 1 . . . . 540 VAL CA . 16393 1 289 . 1 1 152 152 VAL N N 15 128.97 0.30 . 1 . . . . 540 VAL N . 16393 1 290 . 1 1 153 153 LEU H H 1 8.60 0.02 . 1 . . . . 541 LEU HN . 16393 1 291 . 1 1 153 153 LEU CA C 13 52.66 0.30 . 1 . . . . 541 LEU CA . 16393 1 292 . 1 1 153 153 LEU N N 15 127.91 0.30 . 1 . . . . 541 LEU N . 16393 1 293 . 1 1 154 154 GLY H H 1 8.33 0.02 . 1 . . . . 542 GLY HN . 16393 1 294 . 1 1 154 154 GLY CA C 13 43.49 0.30 . 1 . . . . 542 GLY CA . 16393 1 295 . 1 1 154 154 GLY N N 15 108.76 0.30 . 1 . . . . 542 GLY N . 16393 1 296 . 1 1 157 157 GLY H H 1 8.22 0.02 . 1 . . . . 545 GLY HN . 16393 1 297 . 1 1 157 157 GLY CA C 13 44.70 0.30 . 1 . . . . 545 GLY CA . 16393 1 298 . 1 1 157 157 GLY N N 15 111.11 0.30 . 1 . . . . 545 GLY N . 16393 1 299 . 1 1 159 159 THR H H 1 8.39 0.02 . 1 . . . . 547 THR HN . 16393 1 300 . 1 1 159 159 THR N N 15 120.99 0.30 . 1 . . . . 547 THR N . 16393 1 301 . 1 1 173 173 ALA H H 1 7.32 0.02 . 1 . . . . 561 ALA HN . 16393 1 302 . 1 1 173 173 ALA CA C 13 53.96 0.30 . 1 . . . . 561 ALA CA . 16393 1 303 . 1 1 173 173 ALA N N 15 120.20 0.30 . 1 . . . . 561 ALA N . 16393 1 304 . 1 1 174 174 VAL H H 1 8.34 0.02 . 1 . . . . 562 VAL HN . 16393 1 305 . 1 1 174 174 VAL CA C 13 63.67 0.30 . 1 . . . . 562 VAL CA . 16393 1 306 . 1 1 174 174 VAL N N 15 116.09 0.30 . 1 . . . . 562 VAL N . 16393 1 307 . 1 1 175 175 TYR H H 1 8.76 0.02 . 1 . . . . 563 TYR HN . 16393 1 308 . 1 1 175 175 TYR CA C 13 61.63 0.30 . 1 . . . . 563 TYR CA . 16393 1 309 . 1 1 175 175 TYR N N 15 121.62 0.30 . 1 . . . . 563 TYR N . 16393 1 310 . 1 1 176 176 LYS H H 1 6.83 0.02 . 1 . . . . 564 LYS HN . 16393 1 311 . 1 1 176 176 LYS CA C 13 56.70 0.30 . 1 . . . . 564 LYS CA . 16393 1 312 . 1 1 176 176 LYS N N 15 119.12 0.30 . 1 . . . . 564 LYS N . 16393 1 313 . 1 1 177 177 ASP H H 1 8.83 0.02 . 1 . . . . 565 ASP HN . 16393 1 314 . 1 1 177 177 ASP CA C 13 54.56 0.30 . 1 . . . . 565 ASP CA . 16393 1 315 . 1 1 177 177 ASP N N 15 127.77 0.30 . 1 . . . . 565 ASP N . 16393 1 316 . 1 1 178 178 ALA H H 1 7.82 0.02 . 1 . . . . 566 ALA HN . 16393 1 317 . 1 1 178 178 ALA CA C 13 49.89 0.30 . 1 . . . . 566 ALA CA . 16393 1 318 . 1 1 178 178 ALA N N 15 128.51 0.30 . 1 . . . . 566 ALA N . 16393 1 319 . 1 1 179 179 ASP H H 1 7.81 0.02 . 1 . . . . 567 ASP HN . 16393 1 320 . 1 1 179 179 ASP N N 15 117.56 0.30 . 1 . . . . 567 ASP N . 16393 1 321 . 1 1 182 182 LEU H H 1 9.17 0.02 . 1 . . . . 570 LEU HN . 16393 1 322 . 1 1 182 182 LEU CA C 13 52.38 0.30 . 1 . . . . 570 LEU CA . 16393 1 323 . 1 1 182 182 LEU N N 15 123.99 0.30 . 1 . . . . 570 LEU N . 16393 1 324 . 1 1 183 183 LEU H H 1 9.49 0.02 . 1 . . . . 571 LEU HN . 16393 1 325 . 1 1 183 183 LEU CA C 13 52.66 0.30 . 1 . . . . 571 LEU CA . 16393 1 326 . 1 1 183 183 LEU N N 15 125.37 0.30 . 1 . . . . 571 LEU N . 16393 1 327 . 1 1 184 184 ASP H H 1 8.50 0.02 . 1 . . . . 572 ASP HN . 16393 1 328 . 1 1 184 184 ASP CA C 13 52.38 0.30 . 1 . . . . 572 ASP CA . 16393 1 329 . 1 1 184 184 ASP N N 15 127.04 0.30 . 1 . . . . 572 ASP N . 16393 1 330 . 1 1 193 193 PHE H H 1 8.02 0.02 . 1 . . . . 581 PHE HN . 16393 1 331 . 1 1 193 193 PHE CA C 13 60.43 0.30 . 1 . . . . 581 PHE CA . 16393 1 332 . 1 1 193 193 PHE N N 15 121.64 0.30 . 1 . . . . 581 PHE N . 16393 1 333 . 1 1 198 198 VAL H H 1 8.69 0.02 . 1 . . . . 586 VAL HN . 16393 1 334 . 1 1 198 198 VAL N N 15 120.60 0.30 . 1 . . . . 586 VAL N . 16393 1 335 . 1 1 200 200 GLU H H 1 7.81 0.02 . 1 . . . . 588 GLU HN . 16393 1 336 . 1 1 200 200 GLU CA C 13 58.71 0.30 . 1 . . . . 588 GLU CA . 16393 1 337 . 1 1 200 200 GLU N N 15 117.65 0.30 . 1 . . . . 588 GLU N . 16393 1 338 . 1 1 201 201 SER H H 1 8.71 0.02 . 1 . . . . 589 SER HN . 16393 1 339 . 1 1 201 201 SER CA C 13 61.87 0.30 . 1 . . . . 589 SER CA . 16393 1 340 . 1 1 201 201 SER N N 15 112.45 0.30 . 1 . . . . 589 SER N . 16393 1 341 . 1 1 202 202 CYS H H 1 9.02 0.02 . 1 . . . . 590 CYS HN . 16393 1 342 . 1 1 202 202 CYS CA C 13 60.39 0.30 . 1 . . . . 590 CYS CA . 16393 1 343 . 1 1 202 202 CYS N N 15 121.97 0.30 . 1 . . . . 590 CYS N . 16393 1 344 . 1 1 203 203 VAL H H 1 6.97 0.02 . 1 . . . . 591 VAL HN . 16393 1 345 . 1 1 203 203 VAL CA C 13 66.04 0.30 . 1 . . . . 591 VAL CA . 16393 1 346 . 1 1 203 203 VAL N N 15 116.88 0.30 . 1 . . . . 591 VAL N . 16393 1 347 . 1 1 204 204 CYS H H 1 7.29 0.02 . 1 . . . . 592 CYS HN . 16393 1 348 . 1 1 204 204 CYS CA C 13 61.15 0.30 . 1 . . . . 592 CYS CA . 16393 1 349 . 1 1 204 204 CYS N N 15 113.17 0.30 . 1 . . . . 592 CYS N . 16393 1 350 . 1 1 205 205 LYS H H 1 6.81 0.02 . 1 . . . . 593 LYS HN . 16393 1 351 . 1 1 205 205 LYS CA C 13 58.06 0.30 . 1 . . . . 593 LYS CA . 16393 1 352 . 1 1 205 205 LYS N N 15 117.48 0.30 . 1 . . . . 593 LYS N . 16393 1 353 . 1 1 206 206 LEU H H 1 7.89 0.02 . 1 . . . . 594 LEU HN . 16393 1 354 . 1 1 206 206 LEU CA C 13 58.71 0.30 . 1 . . . . 594 LEU CA . 16393 1 355 . 1 1 206 206 LEU N N 15 123.17 0.30 . 1 . . . . 594 LEU N . 16393 1 356 . 1 1 207 207 MET H H 1 7.19 0.02 . 1 . . . . 595 MET HN . 16393 1 357 . 1 1 207 207 MET CA C 13 54.38 0.30 . 1 . . . . 595 MET CA . 16393 1 358 . 1 1 207 207 MET N N 15 112.51 0.30 . 1 . . . . 595 MET N . 16393 1 359 . 1 1 208 208 ALA H H 1 6.75 0.02 . 1 . . . . 596 ALA HN . 16393 1 360 . 1 1 208 208 ALA CA C 13 54.57 0.30 . 1 . . . . 596 ALA CA . 16393 1 361 . 1 1 208 208 ALA N N 15 119.81 0.30 . 1 . . . . 596 ALA N . 16393 1 362 . 1 1 209 209 ASN H H 1 8.46 0.02 . 1 . . . . 597 ASN HN . 16393 1 363 . 1 1 209 209 ASN CA C 13 52.77 0.30 . 1 . . . . 597 ASN CA . 16393 1 364 . 1 1 209 209 ASN N N 15 111.45 0.30 . 1 . . . . 597 ASN N . 16393 1 365 . 1 1 210 210 LYS H H 1 7.90 0.02 . 1 . . . . 598 LYS HN . 16393 1 366 . 1 1 210 210 LYS CA C 13 52.55 0.30 . 1 . . . . 598 LYS CA . 16393 1 367 . 1 1 210 210 LYS N N 15 119.00 0.30 . 1 . . . . 598 LYS N . 16393 1 368 . 1 1 211 211 THR H H 1 8.58 0.02 . 1 . . . . 599 THR HN . 16393 1 369 . 1 1 211 211 THR CA C 13 63.25 0.30 . 1 . . . . 599 THR CA . 16393 1 370 . 1 1 211 211 THR N N 15 123.33 0.30 . 1 . . . . 599 THR N . 16393 1 371 . 1 1 212 212 ARG H H 1 8.98 0.02 . 1 . . . . 600 ARG HN . 16393 1 372 . 1 1 212 212 ARG N N 15 127.41 0.30 . 1 . . . . 600 ARG N . 16393 1 373 . 1 1 213 213 ILE H H 1 9.10 0.02 . 1 . . . . 601 ILE HN . 16393 1 374 . 1 1 213 213 ILE CA C 13 59.92 0.30 . 1 . . . . 601 ILE CA . 16393 1 375 . 1 1 213 213 ILE N N 15 122.68 0.30 . 1 . . . . 601 ILE N . 16393 1 376 . 1 1 214 214 LEU H H 1 9.24 0.02 . 1 . . . . 602 LEU HN . 16393 1 377 . 1 1 214 214 LEU CA C 13 52.42 0.30 . 1 . . . . 602 LEU CA . 16393 1 378 . 1 1 214 214 LEU N N 15 130.71 0.30 . 1 . . . . 602 LEU N . 16393 1 379 . 1 1 215 215 VAL H H 1 8.99 0.02 . 1 . . . . 603 VAL HN . 16393 1 380 . 1 1 215 215 VAL CA C 13 61.27 0.30 . 1 . . . . 603 VAL CA . 16393 1 381 . 1 1 215 215 VAL N N 15 129.86 0.30 . 1 . . . . 603 VAL N . 16393 1 382 . 1 1 216 216 THR H H 1 8.93 0.02 . 1 . . . . 604 THR HN . 16393 1 383 . 1 1 216 216 THR CA C 13 58.91 0.30 . 1 . . . . 604 THR CA . 16393 1 384 . 1 1 216 216 THR N N 15 122.44 0.30 . 1 . . . . 604 THR N . 16393 1 385 . 1 1 223 223 ARG H H 1 7.72 0.02 . 1 . . . . 611 ARG HN . 16393 1 386 . 1 1 223 223 ARG CA C 13 58.32 0.30 . 1 . . . . 611 ARG CA . 16393 1 387 . 1 1 223 223 ARG N N 15 115.76 0.30 . 1 . . . . 611 ARG N . 16393 1 388 . 1 1 224 224 LYS H H 1 7.25 0.02 . 1 . . . . 612 LYS HN . 16393 1 389 . 1 1 224 224 LYS CA C 13 55.54 0.30 . 1 . . . . 612 LYS CA . 16393 1 390 . 1 1 224 224 LYS N N 15 116.98 0.30 . 1 . . . . 612 LYS N . 16393 1 391 . 1 1 225 225 ALA H H 1 7.34 0.02 . 1 . . . . 613 ALA HN . 16393 1 392 . 1 1 225 225 ALA CA C 13 52.23 0.30 . 1 . . . . 613 ALA CA . 16393 1 393 . 1 1 225 225 ALA N N 15 123.09 0.30 . 1 . . . . 613 ALA N . 16393 1 394 . 1 1 226 226 ASP H H 1 8.76 0.02 . 1 . . . . 614 ASP HN . 16393 1 395 . 1 1 226 226 ASP CA C 13 57.58 0.30 . 1 . . . . 614 ASP CA . 16393 1 396 . 1 1 226 226 ASP N N 15 121.09 0.30 . 1 . . . . 614 ASP N . 16393 1 397 . 1 1 227 227 LYS H H 1 8.06 0.02 . 1 . . . . 615 LYS HN . 16393 1 398 . 1 1 227 227 LYS CA C 13 53.68 0.30 . 1 . . . . 615 LYS CA . 16393 1 399 . 1 1 227 227 LYS N N 15 116.40 0.30 . 1 . . . . 615 LYS N . 16393 1 400 . 1 1 228 228 ILE H H 1 8.39 0.02 . 1 . . . . 616 ILE HN . 16393 1 401 . 1 1 228 228 ILE CA C 13 56.71 0.30 . 1 . . . . 616 ILE CA . 16393 1 402 . 1 1 228 228 ILE N N 15 123.92 0.30 . 1 . . . . 616 ILE N . 16393 1 403 . 1 1 230 230 ILE H H 1 9.39 0.02 . 1 . . . . 618 ILE HN . 16393 1 404 . 1 1 230 230 ILE CA C 13 59.24 0.30 . 1 . . . . 618 ILE CA . 16393 1 405 . 1 1 230 230 ILE N N 15 124.84 0.30 . 1 . . . . 618 ILE N . 16393 1 406 . 1 1 231 231 LEU H H 1 9.18 0.02 . 1 . . . . 619 LEU HN . 16393 1 407 . 1 1 231 231 LEU CA C 13 53.15 0.30 . 1 . . . . 619 LEU CA . 16393 1 408 . 1 1 231 231 LEU N N 15 129.40 0.30 . 1 . . . . 619 LEU N . 16393 1 409 . 1 1 232 232 HIS H H 1 8.87 0.02 . 1 . . . . 620 HIS HN . 16393 1 410 . 1 1 232 232 HIS CA C 13 56.71 0.30 . 1 . . . . 620 HIS CA . 16393 1 411 . 1 1 232 232 HIS N N 15 116.64 0.30 . 1 . . . . 620 HIS N . 16393 1 412 . 1 1 233 233 GLN H H 1 8.68 0.02 . 1 . . . . 621 GLN HN . 16393 1 413 . 1 1 233 233 GLN CA C 13 56.12 0.30 . 1 . . . . 621 GLN CA . 16393 1 414 . 1 1 233 233 GLN N N 15 126.41 0.30 . 1 . . . . 621 GLN N . 16393 1 415 . 1 1 234 234 GLY H H 1 7.69 0.02 . 1 . . . . 622 GLY HN . 16393 1 416 . 1 1 234 234 GLY CA C 13 46.79 0.30 . 1 . . . . 622 GLY CA . 16393 1 417 . 1 1 234 234 GLY N N 15 105.86 0.30 . 1 . . . . 622 GLY N . 16393 1 418 . 1 1 235 235 SER H H 1 7.77 0.02 . 1 . . . . 623 SER HN . 16393 1 419 . 1 1 235 235 SER CA C 13 56.53 0.30 . 1 . . . . 623 SER CA . 16393 1 420 . 1 1 235 235 SER N N 15 113.90 0.30 . 1 . . . . 623 SER N . 16393 1 421 . 1 1 236 236 SER H H 1 9.13 0.02 . 1 . . . . 624 SER HN . 16393 1 422 . 1 1 236 236 SER CA C 13 56.74 0.30 . 1 . . . . 624 SER CA . 16393 1 423 . 1 1 236 236 SER N N 15 117.07 0.30 . 1 . . . . 624 SER N . 16393 1 424 . 1 1 237 237 TYR H H 1 9.49 0.02 . 1 . . . . 625 TYR HN . 16393 1 425 . 1 1 237 237 TYR CA C 13 59.65 0.30 . 1 . . . . 625 TYR CA . 16393 1 426 . 1 1 237 237 TYR N N 15 134.13 0.30 . 1 . . . . 625 TYR N . 16393 1 427 . 1 1 238 238 PHE H H 1 7.81 0.02 . 1 . . . . 626 PHE HN . 16393 1 428 . 1 1 238 238 PHE CA C 13 58.71 0.30 . 1 . . . . 626 PHE CA . 16393 1 429 . 1 1 238 238 PHE N N 15 117.56 0.30 . 1 . . . . 626 PHE N . 16393 1 430 . 1 1 239 239 TYR H H 1 7.02 0.02 . 1 . . . . 627 TYR HN . 16393 1 431 . 1 1 239 239 TYR CA C 13 55.31 0.30 . 1 . . . . 627 TYR CA . 16393 1 432 . 1 1 239 239 TYR N N 15 128.91 0.30 . 1 . . . . 627 TYR N . 16393 1 433 . 1 1 240 240 GLY H H 1 7.85 0.02 . 1 . . . . 628 GLY HN . 16393 1 434 . 1 1 240 240 GLY CA C 13 44.89 0.30 . 1 . . . . 628 GLY CA . 16393 1 435 . 1 1 240 240 GLY N N 15 116.02 0.30 . 1 . . . . 628 GLY N . 16393 1 436 . 1 1 241 241 THR H H 1 8.85 0.02 . 1 . . . . 629 THR HN . 16393 1 437 . 1 1 241 241 THR CA C 13 60.31 0.30 . 1 . . . . 629 THR CA . 16393 1 438 . 1 1 241 241 THR N N 15 114.38 0.30 . 1 . . . . 629 THR N . 16393 1 439 . 1 1 242 242 PHE H H 1 9.29 0.02 . 1 . . . . 630 PHE HN . 16393 1 440 . 1 1 242 242 PHE CA C 13 62.22 0.30 . 1 . . . . 630 PHE CA . 16393 1 441 . 1 1 242 242 PHE N N 15 122.88 0.30 . 1 . . . . 630 PHE N . 16393 1 442 . 1 1 243 243 SER H H 1 8.65 0.02 . 1 . . . . 631 SER HN . 16393 1 443 . 1 1 243 243 SER CA C 13 61.31 0.30 . 1 . . . . 631 SER CA . 16393 1 444 . 1 1 243 243 SER N N 15 113.90 0.30 . 1 . . . . 631 SER N . 16393 1 445 . 1 1 244 244 GLU H H 1 7.66 0.02 . 1 . . . . 632 GLU HN . 16393 1 446 . 1 1 244 244 GLU CA C 13 58.09 0.30 . 1 . . . . 632 GLU CA . 16393 1 447 . 1 1 244 244 GLU N N 15 122.89 0.30 . 1 . . . . 632 GLU N . 16393 1 448 . 1 1 245 245 LEU H H 1 7.97 0.02 . 1 . . . . 633 LEU HN . 16393 1 449 . 1 1 245 245 LEU CA C 13 57.73 0.30 . 1 . . . . 633 LEU CA . 16393 1 450 . 1 1 245 245 LEU N N 15 124.35 0.30 . 1 . . . . 633 LEU N . 16393 1 451 . 1 1 252 252 PHE H H 1 8.00 0.02 . 1 . . . . 640 PHE HN . 16393 1 452 . 1 1 252 252 PHE CA C 13 60.68 0.30 . 1 . . . . 640 PHE CA . 16393 1 453 . 1 1 252 252 PHE N N 15 123.38 0.30 . 1 . . . . 640 PHE N . 16393 1 454 . 1 1 253 253 SER H H 1 8.26 0.02 . 1 . . . . 641 SER HN . 16393 1 455 . 1 1 253 253 SER CA C 13 61.91 0.30 . 1 . . . . 641 SER CA . 16393 1 456 . 1 1 253 253 SER N N 15 113.24 0.30 . 1 . . . . 641 SER N . 16393 1 457 . 1 1 254 254 SER H H 1 8.13 0.02 . 1 . . . . 642 SER HN . 16393 1 458 . 1 1 254 254 SER CA C 13 61.06 0.30 . 1 . . . . 642 SER CA . 16393 1 459 . 1 1 254 254 SER N N 15 116.58 0.30 . 1 . . . . 642 SER N . 16393 1 460 . 1 1 255 255 LYS H H 1 7.34 0.02 . 1 . . . . 643 LYS HN . 16393 1 461 . 1 1 255 255 LYS CA C 13 57.11 0.30 . 1 . . . . 643 LYS CA . 16393 1 462 . 1 1 255 255 LYS N N 15 121.95 0.30 . 1 . . . . 643 LYS N . 16393 1 463 . 1 1 256 256 LEU H H 1 7.42 0.02 . 1 . . . . 644 LEU HN . 16393 1 464 . 1 1 256 256 LEU CA C 13 56.87 0.30 . 1 . . . . 644 LEU CA . 16393 1 465 . 1 1 256 256 LEU N N 15 119.52 0.30 . 1 . . . . 644 LEU N . 16393 1 466 . 1 1 257 257 MET H H 1 8.18 0.02 . 1 . . . . 645 MET HN . 16393 1 467 . 1 1 257 257 MET CA C 13 56.33 0.30 . 1 . . . . 645 MET CA . 16393 1 468 . 1 1 257 257 MET N N 15 114.91 0.30 . 1 . . . . 645 MET N . 16393 1 469 . 1 1 258 258 GLY H H 1 7.44 0.02 . 1 . . . . 646 GLY HN . 16393 1 470 . 1 1 258 258 GLY N N 15 106.54 0.30 . 1 . . . . 646 GLY N . 16393 1 471 . 1 1 259 259 TYR H H 1 7.21 0.02 . 1 . . . . 647 TYR HN . 16393 1 472 . 1 1 259 259 TYR CA C 13 57.11 0.30 . 1 . . . . 647 TYR CA . 16393 1 473 . 1 1 259 259 TYR N N 15 120.28 0.30 . 1 . . . . 647 TYR N . 16393 1 474 . 1 1 264 264 GLN H H 1 7.84 0.02 . 1 . . . . 652 GLN HN . 16393 1 475 . 1 1 264 264 GLN CA C 13 55.37 0.30 . 1 . . . . 652 GLN CA . 16393 1 476 . 1 1 264 264 GLN N N 15 116.47 0.30 . 1 . . . . 652 GLN N . 16393 1 477 . 1 1 265 265 PHE H H 1 7.35 0.02 . 1 . . . . 653 PHE HN . 16393 1 478 . 1 1 265 265 PHE CA C 13 53.98 0.30 . 1 . . . . 653 PHE CA . 16393 1 479 . 1 1 265 265 PHE N N 15 121.07 0.30 . 1 . . . . 653 PHE N . 16393 1 480 . 1 1 266 266 THR H H 1 8.22 0.02 . 1 . . . . 654 THR HN . 16393 1 481 . 1 1 266 266 THR CA C 13 61.19 0.30 . 1 . . . . 654 THR CA . 16393 1 482 . 1 1 266 266 THR N N 15 111.11 0.30 . 1 . . . . 654 THR N . 16393 1 483 . 1 1 267 267 GLU H H 1 8.91 0.02 . 1 . . . . 655 GLU HN . 16393 1 484 . 1 1 267 267 GLU CA C 13 59.48 0.30 . 1 . . . . 655 GLU CA . 16393 1 485 . 1 1 267 267 GLU N N 15 123.10 0.30 . 1 . . . . 655 GLU N . 16393 1 486 . 1 1 268 268 GLU H H 1 8.72 0.02 . 1 . . . . 656 GLU HN . 16393 1 487 . 1 1 268 268 GLU CA C 13 59.15 0.30 . 1 . . . . 656 GLU CA . 16393 1 488 . 1 1 268 268 GLU N N 15 119.15 0.30 . 1 . . . . 656 GLU N . 16393 1 489 . 1 1 269 269 ARG H H 1 7.61 0.02 . 1 . . . . 657 ARG HN . 16393 1 490 . 1 1 269 269 ARG CA C 13 58.07 0.30 . 1 . . . . 657 ARG CA . 16393 1 491 . 1 1 269 269 ARG N N 15 122.95 0.30 . 1 . . . . 657 ARG N . 16393 1 492 . 1 1 281 281 PHE H H 1 7.59 0.02 . 1 . . . . 669 PHE HN . 16393 1 493 . 1 1 281 281 PHE CA C 13 57.92 0.30 . 1 . . . . 669 PHE CA . 16393 1 494 . 1 1 281 281 PHE N N 15 116.35 0.30 . 1 . . . . 669 PHE N . 16393 1 495 . 1 1 282 282 SER H H 1 7.79 0.02 . 1 . . . . 670 SER HN . 16393 1 496 . 1 1 282 282 SER CA C 13 58.43 0.30 . 1 . . . . 670 SER CA . 16393 1 497 . 1 1 282 282 SER N N 15 117.14 0.30 . 1 . . . . 670 SER N . 16393 1 498 . 1 1 283 283 VAL H H 1 8.17 0.02 . 1 . . . . 671 VAL HN . 16393 1 499 . 1 1 283 283 VAL CA C 13 61.66 0.30 . 1 . . . . 671 VAL CA . 16393 1 500 . 1 1 283 283 VAL N N 15 121.88 0.30 . 1 . . . . 671 VAL N . 16393 1 501 . 1 1 284 284 ASP H H 1 8.40 0.02 . 1 . . . . 672 ASP HN . 16393 1 502 . 1 1 284 284 ASP CA C 13 54.14 0.30 . 1 . . . . 672 ASP CA . 16393 1 503 . 1 1 284 284 ASP N N 15 125.16 0.30 . 1 . . . . 672 ASP N . 16393 1 504 . 1 1 285 285 ASP H H 1 7.95 0.02 . 1 . . . . 673 ASP HN . 16393 1 505 . 1 1 285 285 ASP CA C 13 55.61 0.30 . 1 . . . . 673 ASP CA . 16393 1 506 . 1 1 285 285 ASP N N 15 127.25 0.30 . 1 . . . . 673 ASP N . 16393 1 stop_ save_