data_16394 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16394 _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 delta F508 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 . . . 16394 2 Rhea Hudson . P. . 16394 3 Patrick Thibodeau . H. . 16394 4 Philip Thomas . J. . 16394 5 Julie Forman-Kay . D. . 16394 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' . 16394 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16394 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 114 16394 '1H chemical shifts' 114 16394 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' 16394 2 . . 2010-01-21 2009-07-03 update BMRB 'complete entry citation' 16394 1 . . 2009-12-14 2009-07-03 original author 'original release' 16394 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16393 'CFTR NBD1-RE' 16394 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16394 _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 . . . 16394 1 2 Rhea Hudson . P. . 16394 1 3 Patrick Thibodeau . H. . 16394 1 4 Philip Thomas . J. . 16394 1 5 Julie Forman-Kay . D. . 16394 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CFTR 16394 1 ICL 16394 1 NBD1 16394 1 'NMR spectroscopy' 16394 1 phosphorylation 16394 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16394 _Assembly.ID 1 _Assembly.Name 'deltaF508 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 31847.3 _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 'deltaF508 CFTR NBD1-RE' 1 $entity A . yes native no no . . . 16394 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16394 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'deltaF508 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 SFCSQFSWIMPGTIKENIIG VSYDEYRYKSVVKACQLQQD ITKFAEQDNTVLGEGGVTLS GGQRARISLARAVYKDADLY LLDSPFGYLDVFTEEQVFES CVCKLMANKTRILVTSKMEH LRKADKILILHQGSSYFYGT FSELQSLRPDFSSKLMGYDT FDQFTEERRSSILTETLRRF SVDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 284 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 . . . . . 100.35 285 98.60 98.95 0.00e+00 . . . . 16394 1 2 no BMRB 16393 . "CFTR NBD1-RE" . . . . . 100.35 285 99.65 99.65 0.00e+00 . . . . 16394 1 3 no PDB 1Q3H . "Mouse Cftr Nbd1 With Amp.Pnp" . . . . . 100.35 286 99.65 99.65 0.00e+00 . . . . 16394 1 4 no PDB 1R0W . "Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (Nbd1) Apo" . . . . . 100.35 286 99.65 99.65 0.00e+00 . . . . 16394 1 5 no PDB 1R0X . "Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (Nbd1) With Atp" . . . . . 100.35 286 99.65 99.65 0.00e+00 . . . . 16394 1 6 no PDB 1R0Y . "Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (Nbd1) With Adp" . . . . . 100.35 286 99.65 99.65 0.00e+00 . . . . 16394 1 7 no PDB 1R0Z . "Phosphorylated Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide-Binding Domain One (Nbd1) With Atp" . . . . . 100.35 286 98.25 98.25 0.00e+00 . . . . 16394 1 8 no PDB 1R10 . "Cystic Fibrosis Transmembrane Conductance Regulator (Cftr) Nucleotide- Binding Domain One (Nbd1) With Atp, I4122 Space Group" . . . . . 100.35 286 99.65 99.65 0.00e+00 . . . . 16394 1 9 no PDB 1XF9 . "Structure Of Nbd1 From Murine Cftr- F508s Mutant" . . . . . 99.30 283 99.65 99.65 0.00e+00 . . . . 16394 1 10 no PDB 1XFA . "Structure Of Nbd1 From Murine Cftr- F508r Mutant" . . . . . 99.30 283 99.65 99.65 0.00e+00 . . . . 16394 1 11 no PDB 3SI7 . "The Crystal Structure Of The Nbd1 Domain Of The Mouse Cftr Protein, Deltaf508 Mutant" . . . . . 100.00 285 100.00 100.00 0.00e+00 . . . . 16394 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'chloride channel' 16394 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 . 16394 1 2 390 THR . 16394 1 3 391 GLY . 16394 1 4 392 ILE . 16394 1 5 393 ILE . 16394 1 6 394 MET . 16394 1 7 395 GLU . 16394 1 8 396 ASN . 16394 1 9 397 VAL . 16394 1 10 398 THR . 16394 1 11 399 ALA . 16394 1 12 400 PHE . 16394 1 13 401 TRP . 16394 1 14 402 GLU . 16394 1 15 403 GLU . 16394 1 16 404 GLY . 16394 1 17 405 PHE . 16394 1 18 406 GLY . 16394 1 19 407 GLU . 16394 1 20 408 LEU . 16394 1 21 409 LEU . 16394 1 22 410 GLU . 16394 1 23 411 LYS . 16394 1 24 412 VAL . 16394 1 25 413 GLN . 16394 1 26 414 GLN . 16394 1 27 415 SER . 16394 1 28 416 ASN . 16394 1 29 417 GLY . 16394 1 30 418 ASP . 16394 1 31 419 ARG . 16394 1 32 420 LYS . 16394 1 33 421 HIS . 16394 1 34 422 SER . 16394 1 35 423 SER . 16394 1 36 424 ASP . 16394 1 37 425 GLU . 16394 1 38 426 ASN . 16394 1 39 427 ASN . 16394 1 40 428 VAL . 16394 1 41 429 SER . 16394 1 42 430 PHE . 16394 1 43 431 SER . 16394 1 44 432 HIS . 16394 1 45 433 LEU . 16394 1 46 434 CYS . 16394 1 47 435 LEU . 16394 1 48 436 VAL . 16394 1 49 437 GLY . 16394 1 50 438 ASN . 16394 1 51 439 PRO . 16394 1 52 440 VAL . 16394 1 53 441 LEU . 16394 1 54 442 LYS . 16394 1 55 443 ASN . 16394 1 56 444 ILE . 16394 1 57 445 ASN . 16394 1 58 446 LEU . 16394 1 59 447 ASN . 16394 1 60 448 ILE . 16394 1 61 449 GLU . 16394 1 62 450 LYS . 16394 1 63 451 GLY . 16394 1 64 452 GLU . 16394 1 65 453 MET . 16394 1 66 454 LEU . 16394 1 67 455 ALA . 16394 1 68 456 ILE . 16394 1 69 457 THR . 16394 1 70 458 GLY . 16394 1 71 459 SER . 16394 1 72 460 THR . 16394 1 73 461 GLY . 16394 1 74 462 SER . 16394 1 75 463 GLY . 16394 1 76 464 LYS . 16394 1 77 465 THR . 16394 1 78 466 SER . 16394 1 79 467 LEU . 16394 1 80 468 LEU . 16394 1 81 469 MET . 16394 1 82 470 LEU . 16394 1 83 471 ILE . 16394 1 84 472 LEU . 16394 1 85 473 GLY . 16394 1 86 474 GLU . 16394 1 87 475 LEU . 16394 1 88 476 GLU . 16394 1 89 477 ALA . 16394 1 90 478 SER . 16394 1 91 479 GLU . 16394 1 92 480 GLY . 16394 1 93 481 ILE . 16394 1 94 482 ILE . 16394 1 95 483 LYS . 16394 1 96 484 HIS . 16394 1 97 485 SER . 16394 1 98 486 GLY . 16394 1 99 487 ARG . 16394 1 100 488 VAL . 16394 1 101 489 SER . 16394 1 102 490 PHE . 16394 1 103 491 CYS . 16394 1 104 492 SER . 16394 1 105 493 GLN . 16394 1 106 494 PHE . 16394 1 107 495 SER . 16394 1 108 496 TRP . 16394 1 109 497 ILE . 16394 1 110 498 MET . 16394 1 111 499 PRO . 16394 1 112 500 GLY . 16394 1 113 501 THR . 16394 1 114 502 ILE . 16394 1 115 503 LYS . 16394 1 116 504 GLU . 16394 1 117 505 ASN . 16394 1 118 506 ILE . 16394 1 119 507 ILE . 16394 1 120 509 GLY . 16394 1 121 510 VAL . 16394 1 122 511 SER . 16394 1 123 512 TYR . 16394 1 124 513 ASP . 16394 1 125 514 GLU . 16394 1 126 515 TYR . 16394 1 127 516 ARG . 16394 1 128 517 TYR . 16394 1 129 518 LYS . 16394 1 130 519 SER . 16394 1 131 520 VAL . 16394 1 132 521 VAL . 16394 1 133 522 LYS . 16394 1 134 523 ALA . 16394 1 135 524 CYS . 16394 1 136 525 GLN . 16394 1 137 526 LEU . 16394 1 138 527 GLN . 16394 1 139 528 GLN . 16394 1 140 529 ASP . 16394 1 141 530 ILE . 16394 1 142 531 THR . 16394 1 143 532 LYS . 16394 1 144 533 PHE . 16394 1 145 534 ALA . 16394 1 146 535 GLU . 16394 1 147 536 GLN . 16394 1 148 537 ASP . 16394 1 149 538 ASN . 16394 1 150 539 THR . 16394 1 151 540 VAL . 16394 1 152 541 LEU . 16394 1 153 542 GLY . 16394 1 154 543 GLU . 16394 1 155 544 GLY . 16394 1 156 545 GLY . 16394 1 157 546 VAL . 16394 1 158 547 THR . 16394 1 159 548 LEU . 16394 1 160 549 SER . 16394 1 161 550 GLY . 16394 1 162 551 GLY . 16394 1 163 552 GLN . 16394 1 164 553 ARG . 16394 1 165 554 ALA . 16394 1 166 555 ARG . 16394 1 167 556 ILE . 16394 1 168 557 SER . 16394 1 169 558 LEU . 16394 1 170 559 ALA . 16394 1 171 560 ARG . 16394 1 172 561 ALA . 16394 1 173 562 VAL . 16394 1 174 563 TYR . 16394 1 175 564 LYS . 16394 1 176 565 ASP . 16394 1 177 566 ALA . 16394 1 178 567 ASP . 16394 1 179 568 LEU . 16394 1 180 569 TYR . 16394 1 181 570 LEU . 16394 1 182 571 LEU . 16394 1 183 572 ASP . 16394 1 184 573 SER . 16394 1 185 574 PRO . 16394 1 186 575 PHE . 16394 1 187 576 GLY . 16394 1 188 577 TYR . 16394 1 189 578 LEU . 16394 1 190 579 ASP . 16394 1 191 580 VAL . 16394 1 192 581 PHE . 16394 1 193 582 THR . 16394 1 194 583 GLU . 16394 1 195 584 GLU . 16394 1 196 585 GLN . 16394 1 197 586 VAL . 16394 1 198 587 PHE . 16394 1 199 588 GLU . 16394 1 200 589 SER . 16394 1 201 590 CYS . 16394 1 202 591 VAL . 16394 1 203 592 CYS . 16394 1 204 593 LYS . 16394 1 205 594 LEU . 16394 1 206 595 MET . 16394 1 207 596 ALA . 16394 1 208 597 ASN . 16394 1 209 598 LYS . 16394 1 210 599 THR . 16394 1 211 600 ARG . 16394 1 212 601 ILE . 16394 1 213 602 LEU . 16394 1 214 603 VAL . 16394 1 215 604 THR . 16394 1 216 605 SER . 16394 1 217 606 LYS . 16394 1 218 607 MET . 16394 1 219 608 GLU . 16394 1 220 609 HIS . 16394 1 221 610 LEU . 16394 1 222 611 ARG . 16394 1 223 612 LYS . 16394 1 224 613 ALA . 16394 1 225 614 ASP . 16394 1 226 615 LYS . 16394 1 227 616 ILE . 16394 1 228 617 LEU . 16394 1 229 618 ILE . 16394 1 230 619 LEU . 16394 1 231 620 HIS . 16394 1 232 621 GLN . 16394 1 233 622 GLY . 16394 1 234 623 SER . 16394 1 235 624 SER . 16394 1 236 625 TYR . 16394 1 237 626 PHE . 16394 1 238 627 TYR . 16394 1 239 628 GLY . 16394 1 240 629 THR . 16394 1 241 630 PHE . 16394 1 242 631 SER . 16394 1 243 632 GLU . 16394 1 244 633 LEU . 16394 1 245 634 GLN . 16394 1 246 635 SER . 16394 1 247 636 LEU . 16394 1 248 637 ARG . 16394 1 249 638 PRO . 16394 1 250 639 ASP . 16394 1 251 640 PHE . 16394 1 252 641 SER . 16394 1 253 642 SER . 16394 1 254 643 LYS . 16394 1 255 644 LEU . 16394 1 256 645 MET . 16394 1 257 646 GLY . 16394 1 258 647 TYR . 16394 1 259 648 ASP . 16394 1 260 649 THR . 16394 1 261 650 PHE . 16394 1 262 651 ASP . 16394 1 263 652 GLN . 16394 1 264 653 PHE . 16394 1 265 654 THR . 16394 1 266 655 GLU . 16394 1 267 656 GLU . 16394 1 268 657 ARG . 16394 1 269 658 ARG . 16394 1 270 659 SER . 16394 1 271 660 SER . 16394 1 272 661 ILE . 16394 1 273 662 LEU . 16394 1 274 663 THR . 16394 1 275 664 GLU . 16394 1 276 665 THR . 16394 1 277 666 LEU . 16394 1 278 667 ARG . 16394 1 279 668 ARG . 16394 1 280 669 PHE . 16394 1 281 670 SER . 16394 1 282 671 VAL . 16394 1 283 672 ASP . 16394 1 284 673 ASP . 16394 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 16394 1 . THR 2 2 16394 1 . GLY 3 3 16394 1 . ILE 4 4 16394 1 . ILE 5 5 16394 1 . MET 6 6 16394 1 . GLU 7 7 16394 1 . ASN 8 8 16394 1 . VAL 9 9 16394 1 . THR 10 10 16394 1 . ALA 11 11 16394 1 . PHE 12 12 16394 1 . TRP 13 13 16394 1 . GLU 14 14 16394 1 . GLU 15 15 16394 1 . GLY 16 16 16394 1 . PHE 17 17 16394 1 . GLY 18 18 16394 1 . GLU 19 19 16394 1 . LEU 20 20 16394 1 . LEU 21 21 16394 1 . GLU 22 22 16394 1 . LYS 23 23 16394 1 . VAL 24 24 16394 1 . GLN 25 25 16394 1 . GLN 26 26 16394 1 . SER 27 27 16394 1 . ASN 28 28 16394 1 . GLY 29 29 16394 1 . ASP 30 30 16394 1 . ARG 31 31 16394 1 . LYS 32 32 16394 1 . HIS 33 33 16394 1 . SER 34 34 16394 1 . SER 35 35 16394 1 . ASP 36 36 16394 1 . GLU 37 37 16394 1 . ASN 38 38 16394 1 . ASN 39 39 16394 1 . VAL 40 40 16394 1 . SER 41 41 16394 1 . PHE 42 42 16394 1 . SER 43 43 16394 1 . HIS 44 44 16394 1 . LEU 45 45 16394 1 . CYS 46 46 16394 1 . LEU 47 47 16394 1 . VAL 48 48 16394 1 . GLY 49 49 16394 1 . ASN 50 50 16394 1 . PRO 51 51 16394 1 . VAL 52 52 16394 1 . LEU 53 53 16394 1 . LYS 54 54 16394 1 . ASN 55 55 16394 1 . ILE 56 56 16394 1 . ASN 57 57 16394 1 . LEU 58 58 16394 1 . ASN 59 59 16394 1 . ILE 60 60 16394 1 . GLU 61 61 16394 1 . LYS 62 62 16394 1 . GLY 63 63 16394 1 . GLU 64 64 16394 1 . MET 65 65 16394 1 . LEU 66 66 16394 1 . ALA 67 67 16394 1 . ILE 68 68 16394 1 . THR 69 69 16394 1 . GLY 70 70 16394 1 . SER 71 71 16394 1 . THR 72 72 16394 1 . GLY 73 73 16394 1 . SER 74 74 16394 1 . GLY 75 75 16394 1 . LYS 76 76 16394 1 . THR 77 77 16394 1 . SER 78 78 16394 1 . LEU 79 79 16394 1 . LEU 80 80 16394 1 . MET 81 81 16394 1 . LEU 82 82 16394 1 . ILE 83 83 16394 1 . LEU 84 84 16394 1 . GLY 85 85 16394 1 . GLU 86 86 16394 1 . LEU 87 87 16394 1 . GLU 88 88 16394 1 . ALA 89 89 16394 1 . SER 90 90 16394 1 . GLU 91 91 16394 1 . GLY 92 92 16394 1 . ILE 93 93 16394 1 . ILE 94 94 16394 1 . LYS 95 95 16394 1 . HIS 96 96 16394 1 . SER 97 97 16394 1 . GLY 98 98 16394 1 . ARG 99 99 16394 1 . VAL 100 100 16394 1 . SER 101 101 16394 1 . PHE 102 102 16394 1 . CYS 103 103 16394 1 . SER 104 104 16394 1 . GLN 105 105 16394 1 . PHE 106 106 16394 1 . SER 107 107 16394 1 . TRP 108 108 16394 1 . ILE 109 109 16394 1 . MET 110 110 16394 1 . PRO 111 111 16394 1 . GLY 112 112 16394 1 . THR 113 113 16394 1 . ILE 114 114 16394 1 . LYS 115 115 16394 1 . GLU 116 116 16394 1 . ASN 117 117 16394 1 . ILE 118 118 16394 1 . ILE 119 119 16394 1 . GLY 120 120 16394 1 . VAL 121 121 16394 1 . SER 122 122 16394 1 . TYR 123 123 16394 1 . ASP 124 124 16394 1 . GLU 125 125 16394 1 . TYR 126 126 16394 1 . ARG 127 127 16394 1 . TYR 128 128 16394 1 . LYS 129 129 16394 1 . SER 130 130 16394 1 . VAL 131 131 16394 1 . VAL 132 132 16394 1 . LYS 133 133 16394 1 . ALA 134 134 16394 1 . CYS 135 135 16394 1 . GLN 136 136 16394 1 . LEU 137 137 16394 1 . GLN 138 138 16394 1 . GLN 139 139 16394 1 . ASP 140 140 16394 1 . ILE 141 141 16394 1 . THR 142 142 16394 1 . LYS 143 143 16394 1 . PHE 144 144 16394 1 . ALA 145 145 16394 1 . GLU 146 146 16394 1 . GLN 147 147 16394 1 . ASP 148 148 16394 1 . ASN 149 149 16394 1 . THR 150 150 16394 1 . VAL 151 151 16394 1 . LEU 152 152 16394 1 . GLY 153 153 16394 1 . GLU 154 154 16394 1 . GLY 155 155 16394 1 . GLY 156 156 16394 1 . VAL 157 157 16394 1 . THR 158 158 16394 1 . LEU 159 159 16394 1 . SER 160 160 16394 1 . GLY 161 161 16394 1 . GLY 162 162 16394 1 . GLN 163 163 16394 1 . ARG 164 164 16394 1 . ALA 165 165 16394 1 . ARG 166 166 16394 1 . ILE 167 167 16394 1 . SER 168 168 16394 1 . LEU 169 169 16394 1 . ALA 170 170 16394 1 . ARG 171 171 16394 1 . ALA 172 172 16394 1 . VAL 173 173 16394 1 . TYR 174 174 16394 1 . LYS 175 175 16394 1 . ASP 176 176 16394 1 . ALA 177 177 16394 1 . ASP 178 178 16394 1 . LEU 179 179 16394 1 . TYR 180 180 16394 1 . LEU 181 181 16394 1 . LEU 182 182 16394 1 . ASP 183 183 16394 1 . SER 184 184 16394 1 . PRO 185 185 16394 1 . PHE 186 186 16394 1 . GLY 187 187 16394 1 . TYR 188 188 16394 1 . LEU 189 189 16394 1 . ASP 190 190 16394 1 . VAL 191 191 16394 1 . PHE 192 192 16394 1 . THR 193 193 16394 1 . GLU 194 194 16394 1 . GLU 195 195 16394 1 . GLN 196 196 16394 1 . VAL 197 197 16394 1 . PHE 198 198 16394 1 . GLU 199 199 16394 1 . SER 200 200 16394 1 . CYS 201 201 16394 1 . VAL 202 202 16394 1 . CYS 203 203 16394 1 . LYS 204 204 16394 1 . LEU 205 205 16394 1 . MET 206 206 16394 1 . ALA 207 207 16394 1 . ASN 208 208 16394 1 . LYS 209 209 16394 1 . THR 210 210 16394 1 . ARG 211 211 16394 1 . ILE 212 212 16394 1 . LEU 213 213 16394 1 . VAL 214 214 16394 1 . THR 215 215 16394 1 . SER 216 216 16394 1 . LYS 217 217 16394 1 . MET 218 218 16394 1 . GLU 219 219 16394 1 . HIS 220 220 16394 1 . LEU 221 221 16394 1 . ARG 222 222 16394 1 . LYS 223 223 16394 1 . ALA 224 224 16394 1 . ASP 225 225 16394 1 . LYS 226 226 16394 1 . ILE 227 227 16394 1 . LEU 228 228 16394 1 . ILE 229 229 16394 1 . LEU 230 230 16394 1 . HIS 231 231 16394 1 . GLN 232 232 16394 1 . GLY 233 233 16394 1 . SER 234 234 16394 1 . SER 235 235 16394 1 . TYR 236 236 16394 1 . PHE 237 237 16394 1 . TYR 238 238 16394 1 . GLY 239 239 16394 1 . THR 240 240 16394 1 . PHE 241 241 16394 1 . SER 242 242 16394 1 . GLU 243 243 16394 1 . LEU 244 244 16394 1 . GLN 245 245 16394 1 . SER 246 246 16394 1 . LEU 247 247 16394 1 . ARG 248 248 16394 1 . PRO 249 249 16394 1 . ASP 250 250 16394 1 . PHE 251 251 16394 1 . SER 252 252 16394 1 . SER 253 253 16394 1 . LYS 254 254 16394 1 . LEU 255 255 16394 1 . MET 256 256 16394 1 . GLY 257 257 16394 1 . TYR 258 258 16394 1 . ASP 259 259 16394 1 . THR 260 260 16394 1 . PHE 261 261 16394 1 . ASP 262 262 16394 1 . GLN 263 263 16394 1 . PHE 264 264 16394 1 . THR 265 265 16394 1 . GLU 266 266 16394 1 . GLU 267 267 16394 1 . ARG 268 268 16394 1 . ARG 269 269 16394 1 . SER 270 270 16394 1 . SER 271 271 16394 1 . ILE 272 272 16394 1 . LEU 273 273 16394 1 . THR 274 274 16394 1 . GLU 275 275 16394 1 . THR 276 276 16394 1 . LEU 277 277 16394 1 . ARG 278 278 16394 1 . ARG 279 279 16394 1 . PHE 280 280 16394 1 . SER 281 281 16394 1 . VAL 282 282 16394 1 . ASP 283 283 16394 1 . ASP 284 284 16394 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 16394 _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 . . . . . . . . . . . . . . . . . . . . . 16394 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 16394 _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' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-His-SUMO . . . . . . 16394 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16394 _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 'deltaF508 CFTR NBD1-RE' '[U-100% 15N]' . . 1 $entity . . 175 . . mM . . . . 16394 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16394 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16394 1 4 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 16394 1 5 ATP 'natural abundance' . . . . . . 5 . . mM . . . . 16394 1 6 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16394 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16394 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16394 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 16394 _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 16394 1 pH 7 . pH 16394 1 pressure 1 . atm 16394 1 temperature 293 . K 16394 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16394 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16394 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16394 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16394 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16394 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16394 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16394 _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' . . 16394 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16394 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 16394 _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 16394 _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 . . . 16394 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 16394 _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 . . . . . . . . . . . . . . . . 16394 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 16394 _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 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0000 . . . . . . . . . 16394 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 16394 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 16394 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16394 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 'TROSY offset' 'amide protons' 1 . . 16394 1 'TROSY offset' 'amide nitrogens' 15 . . 16394 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 . 16394 1 2 . 1 1 2 2 THR N N 15 117.19 0.30 . 1 . . . . 390 THR N . 16394 1 3 . 1 1 3 3 GLY H H 1 8.62 0.02 . 1 . . . . 391 GLY HN . 16394 1 4 . 1 1 3 3 GLY N N 15 114.49 0.30 . 1 . . . . 391 GLY N . 16394 1 5 . 1 1 4 4 ILE H H 1 8.58 0.02 . 1 . . . . 392 ILE HN . 16394 1 6 . 1 1 4 4 ILE N N 15 120.43 0.30 . 1 . . . . 392 ILE N . 16394 1 7 . 1 1 5 5 ILE H H 1 8.54 0.02 . 1 . . . . 393 ILE HN . 16394 1 8 . 1 1 5 5 ILE N N 15 126.69 0.30 . 1 . . . . 393 ILE N . 16394 1 9 . 1 1 6 6 MET H H 1 8.90 0.02 . 1 . . . . 394 MET HN . 16394 1 10 . 1 1 6 6 MET N N 15 124.25 0.30 . 1 . . . . 394 MET N . 16394 1 11 . 1 1 7 7 GLU H H 1 9.19 0.02 . 1 . . . . 395 GLU HN . 16394 1 12 . 1 1 7 7 GLU N N 15 125.27 0.30 . 1 . . . . 395 GLU N . 16394 1 13 . 1 1 9 9 VAL H H 1 8.54 0.02 . 1 . . . . 397 VAL HN . 16394 1 14 . 1 1 9 9 VAL N N 15 121.24 0.30 . 1 . . . . 397 VAL N . 16394 1 15 . 1 1 11 11 ALA H H 1 8.67 0.02 . 1 . . . . 399 ALA HN . 16394 1 16 . 1 1 11 11 ALA N N 15 127.82 0.30 . 1 . . . . 399 ALA N . 16394 1 17 . 1 1 13 13 TRP H H 1 8.81 0.02 . 1 . . . . 401 TRP HN . 16394 1 18 . 1 1 13 13 TRP N N 15 122.50 0.30 . 1 . . . . 401 TRP N . 16394 1 19 . 1 1 35 35 SER H H 1 8.48 0.02 . 1 . . . . 423 SER HN . 16394 1 20 . 1 1 35 35 SER N N 15 118.83 0.30 . 1 . . . . 423 SER N . 16394 1 21 . 1 1 37 37 GLU H H 1 8.31 0.02 . 1 . . . . 425 GLU HN . 16394 1 22 . 1 1 37 37 GLU N N 15 121.62 0.30 . 1 . . . . 425 GLU N . 16394 1 23 . 1 1 38 38 ASN H H 1 8.36 0.02 . 1 . . . . 426 ASN HN . 16394 1 24 . 1 1 38 38 ASN N N 15 119.33 0.30 . 1 . . . . 426 ASN N . 16394 1 25 . 1 1 39 39 ASN H H 1 8.21 0.02 . 1 . . . . 427 ASN HN . 16394 1 26 . 1 1 39 39 ASN N N 15 120.03 0.30 . 1 . . . . 427 ASN N . 16394 1 27 . 1 1 42 42 PHE H H 1 8.19 0.02 . 1 . . . . 430 PHE HN . 16394 1 28 . 1 1 42 42 PHE N N 15 122.92 0.30 . 1 . . . . 430 PHE N . 16394 1 29 . 1 1 43 43 SER H H 1 8.18 0.02 . 1 . . . . 431 SER HN . 16394 1 30 . 1 1 43 43 SER N N 15 117.57 0.30 . 1 . . . . 431 SER N . 16394 1 31 . 1 1 47 47 LEU H H 1 8.05 0.02 . 1 . . . . 435 LEU HN . 16394 1 32 . 1 1 47 47 LEU N N 15 124.74 0.30 . 1 . . . . 435 LEU N . 16394 1 33 . 1 1 50 50 ASN H H 1 8.40 0.02 . 1 . . . . 438 ASN HN . 16394 1 34 . 1 1 50 50 ASN N N 15 120.14 0.30 . 1 . . . . 438 ASN N . 16394 1 35 . 1 1 53 53 LEU H H 1 6.95 0.02 . 1 . . . . 441 LEU HN . 16394 1 36 . 1 1 53 53 LEU N N 15 120.10 0.30 . 1 . . . . 441 LEU N . 16394 1 37 . 1 1 54 54 LYS H H 1 8.59 0.02 . 1 . . . . 442 LYS HN . 16394 1 38 . 1 1 54 54 LYS N N 15 121.75 0.30 . 1 . . . . 442 LYS N . 16394 1 39 . 1 1 55 55 ASN H H 1 7.89 0.02 . 1 . . . . 443 ASN HN . 16394 1 40 . 1 1 55 55 ASN N N 15 122.72 0.30 . 1 . . . . 443 ASN N . 16394 1 41 . 1 1 56 56 ILE H H 1 9.38 0.02 . 1 . . . . 444 ILE HN . 16394 1 42 . 1 1 56 56 ILE N N 15 120.37 0.30 . 1 . . . . 444 ILE N . 16394 1 43 . 1 1 57 57 ASN H H 1 7.42 0.02 . 1 . . . . 445 ASN HN . 16394 1 44 . 1 1 57 57 ASN N N 15 123.51 0.30 . 1 . . . . 445 ASN N . 16394 1 45 . 1 1 61 61 GLU H H 1 9.06 0.02 . 1 . . . . 449 GLU HN . 16394 1 46 . 1 1 61 61 GLU N N 15 128.89 0.30 . 1 . . . . 449 GLU N . 16394 1 47 . 1 1 63 63 GLY H H 1 8.81 0.02 . 1 . . . . 451 GLY HN . 16394 1 48 . 1 1 63 63 GLY N N 15 114.96 0.30 . 1 . . . . 451 GLY N . 16394 1 49 . 1 1 64 64 GLU H H 1 7.95 0.02 . 1 . . . . 452 GLU HN . 16394 1 50 . 1 1 64 64 GLU N N 15 120.73 0.30 . 1 . . . . 452 GLU N . 16394 1 51 . 1 1 65 65 MET H H 1 9.70 0.02 . 1 . . . . 453 MET HN . 16394 1 52 . 1 1 65 65 MET N N 15 119.15 0.30 . 1 . . . . 453 MET N . 16394 1 53 . 1 1 66 66 LEU H H 1 9.04 0.02 . 1 . . . . 454 LEU HN . 16394 1 54 . 1 1 66 66 LEU N N 15 131.11 0.30 . 1 . . . . 454 LEU N . 16394 1 55 . 1 1 67 67 ALA H H 1 8.95 0.02 . 1 . . . . 455 ALA HN . 16394 1 56 . 1 1 67 67 ALA N N 15 130.40 0.30 . 1 . . . . 455 ALA N . 16394 1 57 . 1 1 68 68 ILE H H 1 9.34 0.02 . 1 . . . . 456 ILE HN . 16394 1 58 . 1 1 68 68 ILE N N 15 122.93 0.30 . 1 . . . . 456 ILE N . 16394 1 59 . 1 1 79 79 LEU H H 1 8.18 0.02 . 1 . . . . 467 LEU HN . 16394 1 60 . 1 1 79 79 LEU N N 15 124.31 0.30 . 1 . . . . 467 LEU N . 16394 1 61 . 1 1 80 80 LEU H H 1 7.24 0.02 . 1 . . . . 468 LEU HN . 16394 1 62 . 1 1 80 80 LEU N N 15 118.65 0.30 . 1 . . . . 468 LEU N . 16394 1 63 . 1 1 81 81 MET H H 1 8.32 0.02 . 1 . . . . 469 MET HN . 16394 1 64 . 1 1 81 81 MET N N 15 118.07 0.30 . 1 . . . . 469 MET N . 16394 1 65 . 1 1 82 82 LEU H H 1 7.92 0.02 . 1 . . . . 470 LEU HN . 16394 1 66 . 1 1 82 82 LEU N N 15 124.03 0.30 . 1 . . . . 470 LEU N . 16394 1 67 . 1 1 83 83 ILE H H 1 7.34 0.02 . 1 . . . . 471 ILE HN . 16394 1 68 . 1 1 83 83 ILE N N 15 122.47 0.30 . 1 . . . . 471 ILE N . 16394 1 69 . 1 1 85 85 GLY H H 1 7.47 0.02 . 1 . . . . 473 GLY HN . 16394 1 70 . 1 1 85 85 GLY N N 15 105.74 0.30 . 1 . . . . 473 GLY N . 16394 1 71 . 1 1 86 86 GLU H H 1 7.56 0.02 . 1 . . . . 474 GLU HN . 16394 1 72 . 1 1 86 86 GLU N N 15 119.47 0.30 . 1 . . . . 474 GLU N . 16394 1 73 . 1 1 87 87 LEU H H 1 6.67 0.02 . 1 . . . . 475 LEU HN . 16394 1 74 . 1 1 87 87 LEU N N 15 119.17 0.30 . 1 . . . . 475 LEU N . 16394 1 75 . 1 1 88 88 GLU H H 1 8.16 0.02 . 1 . . . . 476 GLU HN . 16394 1 76 . 1 1 88 88 GLU N N 15 123.51 0.30 . 1 . . . . 476 GLU N . 16394 1 77 . 1 1 89 89 ALA H H 1 8.79 0.02 . 1 . . . . 477 ALA HN . 16394 1 78 . 1 1 89 89 ALA N N 15 126.22 0.30 . 1 . . . . 477 ALA N . 16394 1 79 . 1 1 90 90 SER H H 1 8.84 0.02 . 1 . . . . 478 SER HN . 16394 1 80 . 1 1 90 90 SER N N 15 120.82 0.30 . 1 . . . . 478 SER N . 16394 1 81 . 1 1 91 91 GLU H H 1 7.83 0.02 . 1 . . . . 479 GLU HN . 16394 1 82 . 1 1 91 91 GLU N N 15 119.94 0.30 . 1 . . . . 479 GLU N . 16394 1 83 . 1 1 92 92 GLY H H 1 8.28 0.02 . 1 . . . . 480 GLY HN . 16394 1 84 . 1 1 92 92 GLY N N 15 109.00 0.30 . 1 . . . . 480 GLY N . 16394 1 85 . 1 1 93 93 ILE H H 1 8.00 0.02 . 1 . . . . 481 ILE HN . 16394 1 86 . 1 1 93 93 ILE N N 15 118.19 0.30 . 1 . . . . 481 ILE N . 16394 1 87 . 1 1 94 94 ILE H H 1 8.28 0.02 . 1 . . . . 482 ILE HN . 16394 1 88 . 1 1 94 94 ILE N N 15 125.60 0.30 . 1 . . . . 482 ILE N . 16394 1 89 . 1 1 95 95 LYS H H 1 9.09 0.02 . 1 . . . . 483 LYS HN . 16394 1 90 . 1 1 95 95 LYS N N 15 127.55 0.30 . 1 . . . . 483 LYS N . 16394 1 91 . 1 1 99 99 ARG H H 1 8.42 0.02 . 1 . . . . 487 ARG HN . 16394 1 92 . 1 1 99 99 ARG N N 15 122.69 0.30 . 1 . . . . 487 ARG N . 16394 1 93 . 1 1 100 100 VAL H H 1 8.50 0.02 . 1 . . . . 488 VAL HN . 16394 1 94 . 1 1 100 100 VAL N N 15 125.31 0.30 . 1 . . . . 488 VAL N . 16394 1 95 . 1 1 102 102 PHE H H 1 8.90 0.02 . 1 . . . . 490 PHE HN . 16394 1 96 . 1 1 102 102 PHE N N 15 130.39 0.30 . 1 . . . . 490 PHE N . 16394 1 97 . 1 1 106 106 PHE H H 1 7.86 0.02 . 1 . . . . 494 PHE HN . 16394 1 98 . 1 1 106 106 PHE N N 15 118.68 0.30 . 1 . . . . 494 PHE N . 16394 1 99 . 1 1 112 112 GLY H H 1 7.85 0.02 . 1 . . . . 500 GLY HN . 16394 1 100 . 1 1 112 112 GLY N N 15 113.28 0.30 . 1 . . . . 500 GLY N . 16394 1 101 . 1 1 113 113 THR H H 1 9.04 0.02 . 1 . . . . 501 THR HN . 16394 1 102 . 1 1 113 113 THR N N 15 111.75 0.30 . 1 . . . . 501 THR N . 16394 1 103 . 1 1 114 114 ILE H H 1 7.76 0.02 . 1 . . . . 502 ILE HN . 16394 1 104 . 1 1 114 114 ILE N N 15 122.99 0.30 . 1 . . . . 502 ILE N . 16394 1 105 . 1 1 140 140 ASP H H 1 7.55 0.02 . 1 . . . . 529 ASP HN . 16394 1 106 . 1 1 140 140 ASP N N 15 119.00 0.30 . 1 . . . . 529 ASP N . 16394 1 107 . 1 1 143 143 LYS H H 1 7.03 0.02 . 1 . . . . 532 LYS HN . 16394 1 108 . 1 1 143 143 LYS N N 15 119.14 0.30 . 1 . . . . 532 LYS N . 16394 1 109 . 1 1 145 145 ALA H H 1 9.25 0.02 . 1 . . . . 534 ALA HN . 16394 1 110 . 1 1 145 145 ALA N N 15 129.10 0.30 . 1 . . . . 534 ALA N . 16394 1 111 . 1 1 146 146 GLU H H 1 8.09 0.02 . 1 . . . . 535 GLU HN . 16394 1 112 . 1 1 146 146 GLU N N 15 113.09 0.30 . 1 . . . . 535 GLU N . 16394 1 113 . 1 1 147 147 GLN H H 1 7.98 0.02 . 1 . . . . 536 GLN HN . 16394 1 114 . 1 1 147 147 GLN N N 15 116.65 0.30 . 1 . . . . 536 GLN N . 16394 1 115 . 1 1 149 149 ASN H H 1 8.09 0.02 . 1 . . . . 538 ASN HN . 16394 1 116 . 1 1 149 149 ASN N N 15 114.72 0.30 . 1 . . . . 538 ASN N . 16394 1 117 . 1 1 150 150 THR H H 1 7.27 0.02 . 1 . . . . 539 THR HN . 16394 1 118 . 1 1 150 150 THR N N 15 119.77 0.30 . 1 . . . . 539 THR N . 16394 1 119 . 1 1 151 151 VAL H H 1 8.47 0.02 . 1 . . . . 540 VAL HN . 16394 1 120 . 1 1 151 151 VAL N N 15 129.19 0.30 . 1 . . . . 540 VAL N . 16394 1 121 . 1 1 153 153 GLY H H 1 8.34 0.02 . 1 . . . . 542 GLY HN . 16394 1 122 . 1 1 153 153 GLY N N 15 108.85 0.30 . 1 . . . . 542 GLY N . 16394 1 123 . 1 1 177 177 ALA H H 1 7.76 0.02 . 1 . . . . 566 ALA HN . 16394 1 124 . 1 1 177 177 ALA N N 15 128.84 0.30 . 1 . . . . 566 ALA N . 16394 1 125 . 1 1 181 181 LEU H H 1 9.19 0.02 . 1 . . . . 570 LEU HN . 16394 1 126 . 1 1 181 181 LEU N N 15 123.97 0.30 . 1 . . . . 570 LEU N . 16394 1 127 . 1 1 182 182 LEU H H 1 9.51 0.02 . 1 . . . . 571 LEU HN . 16394 1 128 . 1 1 182 182 LEU N N 15 125.52 0.30 . 1 . . . . 571 LEU N . 16394 1 129 . 1 1 183 183 ASP H H 1 8.52 0.02 . 1 . . . . 572 ASP HN . 16394 1 130 . 1 1 183 183 ASP N N 15 127.10 0.30 . 1 . . . . 572 ASP N . 16394 1 131 . 1 1 197 197 VAL H H 1 8.70 0.02 . 1 . . . . 586 VAL HN . 16394 1 132 . 1 1 197 197 VAL N N 15 120.63 0.30 . 1 . . . . 586 VAL N . 16394 1 133 . 1 1 200 200 SER H H 1 8.71 0.02 . 1 . . . . 589 SER HN . 16394 1 134 . 1 1 200 200 SER N N 15 112.58 0.30 . 1 . . . . 589 SER N . 16394 1 135 . 1 1 201 201 CYS H H 1 9.02 0.02 . 1 . . . . 590 CYS HN . 16394 1 136 . 1 1 201 201 CYS N N 15 121.86 0.30 . 1 . . . . 590 CYS N . 16394 1 137 . 1 1 202 202 VAL H H 1 6.99 0.02 . 1 . . . . 591 VAL HN . 16394 1 138 . 1 1 202 202 VAL N N 15 117.06 0.30 . 1 . . . . 591 VAL N . 16394 1 139 . 1 1 203 203 CYS H H 1 7.28 0.02 . 1 . . . . 592 CYS HN . 16394 1 140 . 1 1 203 203 CYS N N 15 113.23 0.30 . 1 . . . . 592 CYS N . 16394 1 141 . 1 1 204 204 LYS H H 1 6.82 0.02 . 1 . . . . 593 LYS HN . 16394 1 142 . 1 1 204 204 LYS N N 15 117.58 0.30 . 1 . . . . 593 LYS N . 16394 1 143 . 1 1 206 206 MET H H 1 7.19 0.02 . 1 . . . . 595 MET HN . 16394 1 144 . 1 1 206 206 MET N N 15 112.61 0.30 . 1 . . . . 595 MET N . 16394 1 145 . 1 1 207 207 ALA H H 1 6.74 0.02 . 1 . . . . 596 ALA HN . 16394 1 146 . 1 1 207 207 ALA N N 15 119.90 0.30 . 1 . . . . 596 ALA N . 16394 1 147 . 1 1 208 208 ASN H H 1 8.44 0.02 . 1 . . . . 597 ASN HN . 16394 1 148 . 1 1 208 208 ASN N N 15 111.47 0.30 . 1 . . . . 597 ASN N . 16394 1 149 . 1 1 210 210 THR H H 1 8.57 0.02 . 1 . . . . 599 THR HN . 16394 1 150 . 1 1 210 210 THR N N 15 123.33 0.30 . 1 . . . . 599 THR N . 16394 1 151 . 1 1 212 212 ILE H H 1 9.10 0.02 . 1 . . . . 601 ILE HN . 16394 1 152 . 1 1 212 212 ILE N N 15 122.63 0.30 . 1 . . . . 601 ILE N . 16394 1 153 . 1 1 213 213 LEU H H 1 9.23 0.02 . 1 . . . . 602 LEU HN . 16394 1 154 . 1 1 213 213 LEU N N 15 130.75 0.30 . 1 . . . . 602 LEU N . 16394 1 155 . 1 1 214 214 VAL H H 1 8.99 0.02 . 1 . . . . 603 VAL HN . 16394 1 156 . 1 1 214 214 VAL N N 15 129.91 0.30 . 1 . . . . 603 VAL N . 16394 1 157 . 1 1 215 215 THR H H 1 8.93 0.02 . 1 . . . . 604 THR HN . 16394 1 158 . 1 1 215 215 THR N N 15 122.61 0.30 . 1 . . . . 604 THR N . 16394 1 159 . 1 1 222 222 ARG H H 1 7.72 0.02 . 1 . . . . 611 ARG HN . 16394 1 160 . 1 1 222 222 ARG N N 15 115.88 0.30 . 1 . . . . 611 ARG N . 16394 1 161 . 1 1 223 223 LYS H H 1 7.25 0.02 . 1 . . . . 612 LYS HN . 16394 1 162 . 1 1 223 223 LYS N N 15 117.06 0.30 . 1 . . . . 612 LYS N . 16394 1 163 . 1 1 224 224 ALA H H 1 7.32 0.02 . 1 . . . . 613 ALA HN . 16394 1 164 . 1 1 224 224 ALA N N 15 123.11 0.30 . 1 . . . . 613 ALA N . 16394 1 165 . 1 1 225 225 ASP H H 1 8.75 0.02 . 1 . . . . 614 ASP HN . 16394 1 166 . 1 1 225 225 ASP N N 15 121.00 0.30 . 1 . . . . 614 ASP N . 16394 1 167 . 1 1 226 226 LYS H H 1 8.06 0.02 . 1 . . . . 615 LYS HN . 16394 1 168 . 1 1 226 226 LYS N N 15 116.46 0.30 . 1 . . . . 615 LYS N . 16394 1 169 . 1 1 229 229 ILE H H 1 8.88 0.02 . 1 . . . . 618 ILE HN . 16394 1 170 . 1 1 229 229 ILE N N 15 124.47 0.30 . 1 . . . . 618 ILE N . 16394 1 171 . 1 1 230 230 LEU H H 1 9.17 0.02 . 1 . . . . 619 LEU HN . 16394 1 172 . 1 1 230 230 LEU N N 15 129.40 0.30 . 1 . . . . 619 LEU N . 16394 1 173 . 1 1 231 231 HIS H H 1 8.86 0.02 . 1 . . . . 620 HIS HN . 16394 1 174 . 1 1 231 231 HIS N N 15 116.67 0.30 . 1 . . . . 620 HIS N . 16394 1 175 . 1 1 232 232 GLN H H 1 8.66 0.02 . 1 . . . . 621 GLN HN . 16394 1 176 . 1 1 232 232 GLN N N 15 126.50 0.30 . 1 . . . . 621 GLN N . 16394 1 177 . 1 1 233 233 GLY H H 1 7.74 0.02 . 1 . . . . 622 GLY HN . 16394 1 178 . 1 1 233 233 GLY N N 15 106.02 0.30 . 1 . . . . 622 GLY N . 16394 1 179 . 1 1 234 234 SER H H 1 7.77 0.02 . 1 . . . . 623 SER HN . 16394 1 180 . 1 1 234 234 SER N N 15 114.00 0.30 . 1 . . . . 623 SER N . 16394 1 181 . 1 1 235 235 SER H H 1 9.12 0.02 . 1 . . . . 624 SER HN . 16394 1 182 . 1 1 235 235 SER N N 15 117.14 0.30 . 1 . . . . 624 SER N . 16394 1 183 . 1 1 236 236 TYR H H 1 9.47 0.02 . 1 . . . . 625 TYR HN . 16394 1 184 . 1 1 236 236 TYR N N 15 134.14 0.30 . 1 . . . . 625 TYR N . 16394 1 185 . 1 1 238 238 TYR H H 1 7.01 0.02 . 1 . . . . 627 TYR HN . 16394 1 186 . 1 1 238 238 TYR N N 15 129.00 0.30 . 1 . . . . 627 TYR N . 16394 1 187 . 1 1 239 239 GLY H H 1 7.84 0.02 . 1 . . . . 628 GLY HN . 16394 1 188 . 1 1 239 239 GLY N N 15 116.06 0.30 . 1 . . . . 628 GLY N . 16394 1 189 . 1 1 240 240 THR H H 1 8.86 0.02 . 1 . . . . 629 THR HN . 16394 1 190 . 1 1 240 240 THR N N 15 114.42 0.30 . 1 . . . . 629 THR N . 16394 1 191 . 1 1 241 241 PHE H H 1 9.28 0.02 . 1 . . . . 630 PHE HN . 16394 1 192 . 1 1 241 241 PHE N N 15 122.94 0.30 . 1 . . . . 630 PHE N . 16394 1 193 . 1 1 242 242 SER H H 1 8.64 0.02 . 1 . . . . 631 SER HN . 16394 1 194 . 1 1 242 242 SER N N 15 113.97 0.30 . 1 . . . . 631 SER N . 16394 1 195 . 1 1 243 243 GLU H H 1 7.66 0.02 . 1 . . . . 632 GLU HN . 16394 1 196 . 1 1 243 243 GLU N N 15 122.94 0.30 . 1 . . . . 632 GLU N . 16394 1 197 . 1 1 244 244 LEU H H 1 7.97 0.02 . 1 . . . . 633 LEU HN . 16394 1 198 . 1 1 244 244 LEU N N 15 124.41 0.30 . 1 . . . . 633 LEU N . 16394 1 199 . 1 1 251 251 PHE H H 1 7.99 0.02 . 1 . . . . 640 PHE HN . 16394 1 200 . 1 1 251 251 PHE N N 15 123.38 0.30 . 1 . . . . 640 PHE N . 16394 1 201 . 1 1 252 252 SER H H 1 8.26 0.02 . 1 . . . . 641 SER HN . 16394 1 202 . 1 1 252 252 SER N N 15 113.30 0.30 . 1 . . . . 641 SER N . 16394 1 203 . 1 1 253 253 SER H H 1 8.13 0.02 . 1 . . . . 642 SER HN . 16394 1 204 . 1 1 253 253 SER N N 15 116.69 0.30 . 1 . . . . 642 SER N . 16394 1 205 . 1 1 254 254 LYS H H 1 7.33 0.02 . 1 . . . . 643 LYS HN . 16394 1 206 . 1 1 254 254 LYS N N 15 122.02 0.30 . 1 . . . . 643 LYS N . 16394 1 207 . 1 1 255 255 LEU H H 1 7.42 0.02 . 1 . . . . 644 LEU HN . 16394 1 208 . 1 1 255 255 LEU N N 15 119.57 0.30 . 1 . . . . 644 LEU N . 16394 1 209 . 1 1 256 256 MET H H 1 8.19 0.02 . 1 . . . . 645 MET HN . 16394 1 210 . 1 1 256 256 MET N N 15 114.99 0.30 . 1 . . . . 645 MET N . 16394 1 211 . 1 1 257 257 GLY H H 1 7.42 0.02 . 1 . . . . 646 GLY HN . 16394 1 212 . 1 1 257 257 GLY N N 15 106.58 0.30 . 1 . . . . 646 GLY N . 16394 1 213 . 1 1 263 263 GLN H H 1 7.83 0.02 . 1 . . . . 652 GLN HN . 16394 1 214 . 1 1 263 263 GLN N N 15 116.54 0.30 . 1 . . . . 652 GLN N . 16394 1 215 . 1 1 264 264 PHE H H 1 7.33 0.02 . 1 . . . . 653 PHE HN . 16394 1 216 . 1 1 264 264 PHE N N 15 121.16 0.30 . 1 . . . . 653 PHE N . 16394 1 217 . 1 1 266 266 GLU H H 1 8.91 0.02 . 1 . . . . 655 GLU HN . 16394 1 218 . 1 1 266 266 GLU N N 15 123.17 0.30 . 1 . . . . 655 GLU N . 16394 1 219 . 1 1 267 267 GLU H H 1 8.74 0.02 . 1 . . . . 656 GLU HN . 16394 1 220 . 1 1 267 267 GLU N N 15 119.16 0.30 . 1 . . . . 656 GLU N . 16394 1 221 . 1 1 268 268 ARG H H 1 7.62 0.02 . 1 . . . . 657 ARG HN . 16394 1 222 . 1 1 268 268 ARG N N 15 123.09 0.30 . 1 . . . . 657 ARG N . 16394 1 223 . 1 1 280 280 PHE H H 1 7.57 0.02 . 1 . . . . 669 PHE HN . 16394 1 224 . 1 1 280 280 PHE N N 15 116.34 0.30 . 1 . . . . 669 PHE N . 16394 1 225 . 1 1 283 283 ASP H H 1 8.40 0.02 . 1 . . . . 672 ASP HN . 16394 1 226 . 1 1 283 283 ASP N N 15 125.25 0.30 . 1 . . . . 672 ASP N . 16394 1 227 . 1 1 284 284 ASP H H 1 7.94 0.02 . 1 . . . . 673 ASP HN . 16394 1 228 . 1 1 284 284 ASP N N 15 127.33 0.30 . 1 . . . . 673 ASP N . 16394 1 stop_ save_