data_27082 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27082 _Entry.Title ; NMR backbone assignments of the Tyrosine kinase domain of human fibroblast growth receptor 3 in apo state and in complex with inhibitor PD173074 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-04-24 _Entry.Accession_date 2017-04-24 _Entry.Last_release_date 2017-04-24 _Entry.Original_release_date 2017-04-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _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.ORCID _Entry_author.Entry_ID 1 Domenico Sanfelice . . . . 27082 2 Hans Koss . . . . 27082 3 Tom Bunney . D. . . 27082 4 Nethaji Thiyagarajan . . . . 27082 5 Gary Thompson . S. . . 27082 6 Brendan Farrell . . . . 27082 7 Alexander Breeze . L. . . 27082 8 Paul Driscol . . . . 27082 9 Matilda Katan . . . . 27082 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University College London' . 27082 2 . 'Univesity of Leeds' . 27082 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27082 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 426 27082 '15N chemical shifts' 205 27082 '1H chemical shifts' 204 27082 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 1 . . 2018-03-15 . original BMRB . 27082 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27083 'Tyrosine Kinase domain of human fibroblast receptor 3 in complex with inhibitor PD173074' 27082 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27082 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.str.2018.01.016 _Citation.PubMed_ID 29478821 _Citation.Full_citation . _Citation.Title ; Disease Variants of FGFR3 Reveal Molecular Basis for the Recognition and Additional Roles for Cdc37 in Hsp90 Chaperone System ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 26 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1878-4186 _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 446 _Citation.Page_last 458 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Tom Bunney T. D. . . 27082 1 2 Alison Inglis A. J. . . 27082 1 3 Domenico Sanfelice D. . . . 27082 1 4 Brendan Farrell B. . . . 27082 1 5 Christopher Kerr C. J. . . 27082 1 6 Gary Thompson G. S. . . 27082 1 7 Glenn Masson G. R. . . 27082 1 8 Nethaji Thiyagarajan N. . . . 27082 1 9 Dmitri Svergun D. I. . . 27082 1 10 Roger Williams R. L. . . 27082 1 11 Alexander Breeze A. L. . . 27082 1 12 Matilda Katan M. . . . 27082 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27082 _Assembly.ID 1 _Assembly.Name 'Apo FGFR3' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'apo state for fibroblast growth factor receptor 3' _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 FGFR3 1 $FGFR3 A . yes native no no . . . 27082 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FGFR3 _Entity.Sf_category entity _Entity.Sf_framecode FGFR3 _Entity.Entry_ID 27082 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FGFR3 _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 ; SELELPADPKWELSRARLTL GKPLGEGAFGQVVMAEAIGI DKDRAAKPVTVAVKMLKDDA TDKDLSDLVSEMEMMKMIGK HKNIINLLGACTQGGPLYVL VEYAAKGNLREFLRARRPPG LDYSFDTSKPPEEQLTFKDL VSCAYQVARGMEYLASQKCI HRDLAARNVLVTEDNVMKIA DFGLARDVHNLDYYKKTTNG RLPVKWMAPEALFDRVYTHQ SDVWSFGVLLWEIFTLGGSP YPGIPVEELFKLLKEGHRMD KPANCTHDLYMIMRECWHAA PSQRPTFKQLVEDLDRVLTV TSTDEYLDLSAPFE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'starting aminoacid is 455' _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 314 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Tyrosine Kinase Domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Tyrosine Kinase' 27082 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 1 455 SER . 27082 1 2 456 GLU . 27082 1 3 457 LEU . 27082 1 4 458 GLU . 27082 1 5 459 LEU . 27082 1 6 460 PRO . 27082 1 7 461 ALA . 27082 1 8 462 ASP . 27082 1 9 463 PRO . 27082 1 10 464 LYS . 27082 1 11 465 TRP . 27082 1 12 466 GLU . 27082 1 13 467 LEU . 27082 1 14 468 SER . 27082 1 15 469 ARG . 27082 1 16 470 ALA . 27082 1 17 471 ARG . 27082 1 18 472 LEU . 27082 1 19 473 THR . 27082 1 20 474 LEU . 27082 1 21 475 GLY . 27082 1 22 476 LYS . 27082 1 23 477 PRO . 27082 1 24 478 LEU . 27082 1 25 479 GLY . 27082 1 26 480 GLU . 27082 1 27 481 GLY . 27082 1 28 482 ALA . 27082 1 29 483 PHE . 27082 1 30 484 GLY . 27082 1 31 485 GLN . 27082 1 32 486 VAL . 27082 1 33 487 VAL . 27082 1 34 488 MET . 27082 1 35 489 ALA . 27082 1 36 490 GLU . 27082 1 37 491 ALA . 27082 1 38 492 ILE . 27082 1 39 493 GLY . 27082 1 40 494 ILE . 27082 1 41 495 ASP . 27082 1 42 496 LYS . 27082 1 43 497 ASP . 27082 1 44 498 ARG . 27082 1 45 499 ALA . 27082 1 46 500 ALA . 27082 1 47 501 LYS . 27082 1 48 502 PRO . 27082 1 49 503 VAL . 27082 1 50 504 THR . 27082 1 51 505 VAL . 27082 1 52 506 ALA . 27082 1 53 507 VAL . 27082 1 54 508 LYS . 27082 1 55 509 MET . 27082 1 56 510 LEU . 27082 1 57 511 LYS . 27082 1 58 512 ASP . 27082 1 59 513 ASP . 27082 1 60 514 ALA . 27082 1 61 515 THR . 27082 1 62 516 ASP . 27082 1 63 517 LYS . 27082 1 64 518 ASP . 27082 1 65 519 LEU . 27082 1 66 520 SER . 27082 1 67 521 ASP . 27082 1 68 522 LEU . 27082 1 69 523 VAL . 27082 1 70 524 SER . 27082 1 71 525 GLU . 27082 1 72 526 MET . 27082 1 73 527 GLU . 27082 1 74 528 MET . 27082 1 75 529 MET . 27082 1 76 530 LYS . 27082 1 77 531 MET . 27082 1 78 532 ILE . 27082 1 79 533 GLY . 27082 1 80 534 LYS . 27082 1 81 535 HIS . 27082 1 82 536 LYS . 27082 1 83 537 ASN . 27082 1 84 538 ILE . 27082 1 85 539 ILE . 27082 1 86 540 ASN . 27082 1 87 541 LEU . 27082 1 88 542 LEU . 27082 1 89 543 GLY . 27082 1 90 544 ALA . 27082 1 91 545 CYS . 27082 1 92 546 THR . 27082 1 93 547 GLN . 27082 1 94 548 GLY . 27082 1 95 549 GLY . 27082 1 96 550 PRO . 27082 1 97 551 LEU . 27082 1 98 552 TYR . 27082 1 99 553 VAL . 27082 1 100 554 LEU . 27082 1 101 555 VAL . 27082 1 102 556 GLU . 27082 1 103 557 TYR . 27082 1 104 558 ALA . 27082 1 105 559 ALA . 27082 1 106 560 LYS . 27082 1 107 561 GLY . 27082 1 108 562 ASN . 27082 1 109 563 LEU . 27082 1 110 564 ARG . 27082 1 111 565 GLU . 27082 1 112 566 PHE . 27082 1 113 567 LEU . 27082 1 114 568 ARG . 27082 1 115 569 ALA . 27082 1 116 570 ARG . 27082 1 117 571 ARG . 27082 1 118 572 PRO . 27082 1 119 573 PRO . 27082 1 120 574 GLY . 27082 1 121 575 LEU . 27082 1 122 576 ASP . 27082 1 123 577 TYR . 27082 1 124 578 SER . 27082 1 125 579 PHE . 27082 1 126 580 ASP . 27082 1 127 581 THR . 27082 1 128 582 SER . 27082 1 129 583 LYS . 27082 1 130 584 PRO . 27082 1 131 585 PRO . 27082 1 132 586 GLU . 27082 1 133 587 GLU . 27082 1 134 588 GLN . 27082 1 135 589 LEU . 27082 1 136 590 THR . 27082 1 137 591 PHE . 27082 1 138 592 LYS . 27082 1 139 593 ASP . 27082 1 140 594 LEU . 27082 1 141 595 VAL . 27082 1 142 596 SER . 27082 1 143 597 CYS . 27082 1 144 598 ALA . 27082 1 145 599 TYR . 27082 1 146 600 GLN . 27082 1 147 601 VAL . 27082 1 148 602 ALA . 27082 1 149 603 ARG . 27082 1 150 604 GLY . 27082 1 151 605 MET . 27082 1 152 606 GLU . 27082 1 153 607 TYR . 27082 1 154 608 LEU . 27082 1 155 609 ALA . 27082 1 156 610 SER . 27082 1 157 611 GLN . 27082 1 158 612 LYS . 27082 1 159 613 CYS . 27082 1 160 614 ILE . 27082 1 161 615 HIS . 27082 1 162 616 ARG . 27082 1 163 617 ASP . 27082 1 164 618 LEU . 27082 1 165 619 ALA . 27082 1 166 620 ALA . 27082 1 167 621 ARG . 27082 1 168 622 ASN . 27082 1 169 623 VAL . 27082 1 170 624 LEU . 27082 1 171 625 VAL . 27082 1 172 626 THR . 27082 1 173 627 GLU . 27082 1 174 628 ASP . 27082 1 175 629 ASN . 27082 1 176 630 VAL . 27082 1 177 631 MET . 27082 1 178 632 LYS . 27082 1 179 633 ILE . 27082 1 180 634 ALA . 27082 1 181 635 ASP . 27082 1 182 636 PHE . 27082 1 183 637 GLY . 27082 1 184 638 LEU . 27082 1 185 639 ALA . 27082 1 186 640 ARG . 27082 1 187 641 ASP . 27082 1 188 642 VAL . 27082 1 189 643 HIS . 27082 1 190 644 ASN . 27082 1 191 645 LEU . 27082 1 192 646 ASP . 27082 1 193 647 TYR . 27082 1 194 648 TYR . 27082 1 195 649 LYS . 27082 1 196 650 LYS . 27082 1 197 651 THR . 27082 1 198 652 THR . 27082 1 199 653 ASN . 27082 1 200 654 GLY . 27082 1 201 655 ARG . 27082 1 202 656 LEU . 27082 1 203 657 PRO . 27082 1 204 658 VAL . 27082 1 205 659 LYS . 27082 1 206 660 TRP . 27082 1 207 661 MET . 27082 1 208 662 ALA . 27082 1 209 663 PRO . 27082 1 210 664 GLU . 27082 1 211 665 ALA . 27082 1 212 666 LEU . 27082 1 213 667 PHE . 27082 1 214 668 ASP . 27082 1 215 669 ARG . 27082 1 216 670 VAL . 27082 1 217 671 TYR . 27082 1 218 672 THR . 27082 1 219 673 HIS . 27082 1 220 674 GLN . 27082 1 221 675 SER . 27082 1 222 676 ASP . 27082 1 223 677 VAL . 27082 1 224 678 TRP . 27082 1 225 679 SER . 27082 1 226 680 PHE . 27082 1 227 681 GLY . 27082 1 228 682 VAL . 27082 1 229 683 LEU . 27082 1 230 684 LEU . 27082 1 231 685 TRP . 27082 1 232 686 GLU . 27082 1 233 687 ILE . 27082 1 234 688 PHE . 27082 1 235 689 THR . 27082 1 236 690 LEU . 27082 1 237 691 GLY . 27082 1 238 692 GLY . 27082 1 239 693 SER . 27082 1 240 694 PRO . 27082 1 241 695 TYR . 27082 1 242 696 PRO . 27082 1 243 697 GLY . 27082 1 244 698 ILE . 27082 1 245 699 PRO . 27082 1 246 700 VAL . 27082 1 247 701 GLU . 27082 1 248 702 GLU . 27082 1 249 703 LEU . 27082 1 250 704 PHE . 27082 1 251 705 LYS . 27082 1 252 706 LEU . 27082 1 253 707 LEU . 27082 1 254 708 LYS . 27082 1 255 709 GLU . 27082 1 256 710 GLY . 27082 1 257 711 HIS . 27082 1 258 712 ARG . 27082 1 259 713 MET . 27082 1 260 714 ASP . 27082 1 261 715 LYS . 27082 1 262 716 PRO . 27082 1 263 717 ALA . 27082 1 264 718 ASN . 27082 1 265 719 CYS . 27082 1 266 720 THR . 27082 1 267 721 HIS . 27082 1 268 722 ASP . 27082 1 269 723 LEU . 27082 1 270 724 TYR . 27082 1 271 725 MET . 27082 1 272 726 ILE . 27082 1 273 727 MET . 27082 1 274 728 ARG . 27082 1 275 729 GLU . 27082 1 276 730 CYS . 27082 1 277 731 TRP . 27082 1 278 732 HIS . 27082 1 279 733 ALA . 27082 1 280 734 ALA . 27082 1 281 735 PRO . 27082 1 282 736 SER . 27082 1 283 737 GLN . 27082 1 284 738 ARG . 27082 1 285 739 PRO . 27082 1 286 740 THR . 27082 1 287 741 PHE . 27082 1 288 742 LYS . 27082 1 289 743 GLN . 27082 1 290 744 LEU . 27082 1 291 745 VAL . 27082 1 292 746 GLU . 27082 1 293 747 ASP . 27082 1 294 748 LEU . 27082 1 295 749 ASP . 27082 1 296 750 ARG . 27082 1 297 751 VAL . 27082 1 298 752 LEU . 27082 1 299 753 THR . 27082 1 300 754 VAL . 27082 1 301 755 THR . 27082 1 302 756 SER . 27082 1 303 757 THR . 27082 1 304 758 ASP . 27082 1 305 759 GLU . 27082 1 306 760 TYR . 27082 1 307 761 LEU . 27082 1 308 762 ASP . 27082 1 309 763 LEU . 27082 1 310 764 SER . 27082 1 311 765 ALA . 27082 1 312 766 PRO . 27082 1 313 767 PHE . 27082 1 314 768 GLU . 27082 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 27082 1 . GLU 2 2 27082 1 . LEU 3 3 27082 1 . GLU 4 4 27082 1 . LEU 5 5 27082 1 . PRO 6 6 27082 1 . ALA 7 7 27082 1 . ASP 8 8 27082 1 . PRO 9 9 27082 1 . LYS 10 10 27082 1 . TRP 11 11 27082 1 . GLU 12 12 27082 1 . LEU 13 13 27082 1 . SER 14 14 27082 1 . ARG 15 15 27082 1 . ALA 16 16 27082 1 . ARG 17 17 27082 1 . LEU 18 18 27082 1 . THR 19 19 27082 1 . LEU 20 20 27082 1 . GLY 21 21 27082 1 . LYS 22 22 27082 1 . PRO 23 23 27082 1 . LEU 24 24 27082 1 . GLY 25 25 27082 1 . GLU 26 26 27082 1 . GLY 27 27 27082 1 . ALA 28 28 27082 1 . PHE 29 29 27082 1 . GLY 30 30 27082 1 . GLN 31 31 27082 1 . VAL 32 32 27082 1 . VAL 33 33 27082 1 . MET 34 34 27082 1 . ALA 35 35 27082 1 . GLU 36 36 27082 1 . ALA 37 37 27082 1 . ILE 38 38 27082 1 . GLY 39 39 27082 1 . ILE 40 40 27082 1 . ASP 41 41 27082 1 . LYS 42 42 27082 1 . ASP 43 43 27082 1 . ARG 44 44 27082 1 . ALA 45 45 27082 1 . ALA 46 46 27082 1 . LYS 47 47 27082 1 . PRO 48 48 27082 1 . VAL 49 49 27082 1 . THR 50 50 27082 1 . VAL 51 51 27082 1 . ALA 52 52 27082 1 . VAL 53 53 27082 1 . LYS 54 54 27082 1 . MET 55 55 27082 1 . LEU 56 56 27082 1 . LYS 57 57 27082 1 . ASP 58 58 27082 1 . ASP 59 59 27082 1 . ALA 60 60 27082 1 . THR 61 61 27082 1 . ASP 62 62 27082 1 . LYS 63 63 27082 1 . ASP 64 64 27082 1 . LEU 65 65 27082 1 . SER 66 66 27082 1 . ASP 67 67 27082 1 . LEU 68 68 27082 1 . VAL 69 69 27082 1 . SER 70 70 27082 1 . GLU 71 71 27082 1 . MET 72 72 27082 1 . GLU 73 73 27082 1 . MET 74 74 27082 1 . MET 75 75 27082 1 . LYS 76 76 27082 1 . MET 77 77 27082 1 . ILE 78 78 27082 1 . GLY 79 79 27082 1 . LYS 80 80 27082 1 . HIS 81 81 27082 1 . LYS 82 82 27082 1 . ASN 83 83 27082 1 . ILE 84 84 27082 1 . ILE 85 85 27082 1 . ASN 86 86 27082 1 . LEU 87 87 27082 1 . LEU 88 88 27082 1 . GLY 89 89 27082 1 . ALA 90 90 27082 1 . CYS 91 91 27082 1 . THR 92 92 27082 1 . GLN 93 93 27082 1 . GLY 94 94 27082 1 . GLY 95 95 27082 1 . PRO 96 96 27082 1 . LEU 97 97 27082 1 . TYR 98 98 27082 1 . VAL 99 99 27082 1 . LEU 100 100 27082 1 . VAL 101 101 27082 1 . GLU 102 102 27082 1 . TYR 103 103 27082 1 . ALA 104 104 27082 1 . ALA 105 105 27082 1 . LYS 106 106 27082 1 . GLY 107 107 27082 1 . ASN 108 108 27082 1 . LEU 109 109 27082 1 . ARG 110 110 27082 1 . GLU 111 111 27082 1 . PHE 112 112 27082 1 . LEU 113 113 27082 1 . ARG 114 114 27082 1 . ALA 115 115 27082 1 . ARG 116 116 27082 1 . ARG 117 117 27082 1 . PRO 118 118 27082 1 . PRO 119 119 27082 1 . GLY 120 120 27082 1 . LEU 121 121 27082 1 . ASP 122 122 27082 1 . TYR 123 123 27082 1 . SER 124 124 27082 1 . PHE 125 125 27082 1 . ASP 126 126 27082 1 . THR 127 127 27082 1 . SER 128 128 27082 1 . LYS 129 129 27082 1 . PRO 130 130 27082 1 . PRO 131 131 27082 1 . GLU 132 132 27082 1 . GLU 133 133 27082 1 . GLN 134 134 27082 1 . LEU 135 135 27082 1 . THR 136 136 27082 1 . PHE 137 137 27082 1 . LYS 138 138 27082 1 . ASP 139 139 27082 1 . LEU 140 140 27082 1 . VAL 141 141 27082 1 . SER 142 142 27082 1 . CYS 143 143 27082 1 . ALA 144 144 27082 1 . TYR 145 145 27082 1 . GLN 146 146 27082 1 . VAL 147 147 27082 1 . ALA 148 148 27082 1 . ARG 149 149 27082 1 . GLY 150 150 27082 1 . MET 151 151 27082 1 . GLU 152 152 27082 1 . TYR 153 153 27082 1 . LEU 154 154 27082 1 . ALA 155 155 27082 1 . SER 156 156 27082 1 . GLN 157 157 27082 1 . LYS 158 158 27082 1 . CYS 159 159 27082 1 . ILE 160 160 27082 1 . HIS 161 161 27082 1 . ARG 162 162 27082 1 . ASP 163 163 27082 1 . LEU 164 164 27082 1 . ALA 165 165 27082 1 . ALA 166 166 27082 1 . ARG 167 167 27082 1 . ASN 168 168 27082 1 . VAL 169 169 27082 1 . LEU 170 170 27082 1 . VAL 171 171 27082 1 . THR 172 172 27082 1 . GLU 173 173 27082 1 . ASP 174 174 27082 1 . ASN 175 175 27082 1 . VAL 176 176 27082 1 . MET 177 177 27082 1 . LYS 178 178 27082 1 . ILE 179 179 27082 1 . ALA 180 180 27082 1 . ASP 181 181 27082 1 . PHE 182 182 27082 1 . GLY 183 183 27082 1 . LEU 184 184 27082 1 . ALA 185 185 27082 1 . ARG 186 186 27082 1 . ASP 187 187 27082 1 . VAL 188 188 27082 1 . HIS 189 189 27082 1 . ASN 190 190 27082 1 . LEU 191 191 27082 1 . ASP 192 192 27082 1 . TYR 193 193 27082 1 . TYR 194 194 27082 1 . LYS 195 195 27082 1 . LYS 196 196 27082 1 . THR 197 197 27082 1 . THR 198 198 27082 1 . ASN 199 199 27082 1 . GLY 200 200 27082 1 . ARG 201 201 27082 1 . LEU 202 202 27082 1 . PRO 203 203 27082 1 . VAL 204 204 27082 1 . LYS 205 205 27082 1 . TRP 206 206 27082 1 . MET 207 207 27082 1 . ALA 208 208 27082 1 . PRO 209 209 27082 1 . GLU 210 210 27082 1 . ALA 211 211 27082 1 . LEU 212 212 27082 1 . PHE 213 213 27082 1 . ASP 214 214 27082 1 . ARG 215 215 27082 1 . VAL 216 216 27082 1 . TYR 217 217 27082 1 . THR 218 218 27082 1 . HIS 219 219 27082 1 . GLN 220 220 27082 1 . SER 221 221 27082 1 . ASP 222 222 27082 1 . VAL 223 223 27082 1 . TRP 224 224 27082 1 . SER 225 225 27082 1 . PHE 226 226 27082 1 . GLY 227 227 27082 1 . VAL 228 228 27082 1 . LEU 229 229 27082 1 . LEU 230 230 27082 1 . TRP 231 231 27082 1 . GLU 232 232 27082 1 . ILE 233 233 27082 1 . PHE 234 234 27082 1 . THR 235 235 27082 1 . LEU 236 236 27082 1 . GLY 237 237 27082 1 . GLY 238 238 27082 1 . SER 239 239 27082 1 . PRO 240 240 27082 1 . TYR 241 241 27082 1 . PRO 242 242 27082 1 . GLY 243 243 27082 1 . ILE 244 244 27082 1 . PRO 245 245 27082 1 . VAL 246 246 27082 1 . GLU 247 247 27082 1 . GLU 248 248 27082 1 . LEU 249 249 27082 1 . PHE 250 250 27082 1 . LYS 251 251 27082 1 . LEU 252 252 27082 1 . LEU 253 253 27082 1 . LYS 254 254 27082 1 . GLU 255 255 27082 1 . GLY 256 256 27082 1 . HIS 257 257 27082 1 . ARG 258 258 27082 1 . MET 259 259 27082 1 . ASP 260 260 27082 1 . LYS 261 261 27082 1 . PRO 262 262 27082 1 . ALA 263 263 27082 1 . ASN 264 264 27082 1 . CYS 265 265 27082 1 . THR 266 266 27082 1 . HIS 267 267 27082 1 . ASP 268 268 27082 1 . LEU 269 269 27082 1 . TYR 270 270 27082 1 . MET 271 271 27082 1 . ILE 272 272 27082 1 . MET 273 273 27082 1 . ARG 274 274 27082 1 . GLU 275 275 27082 1 . CYS 276 276 27082 1 . TRP 277 277 27082 1 . HIS 278 278 27082 1 . ALA 279 279 27082 1 . ALA 280 280 27082 1 . PRO 281 281 27082 1 . SER 282 282 27082 1 . GLN 283 283 27082 1 . ARG 284 284 27082 1 . PRO 285 285 27082 1 . THR 286 286 27082 1 . PHE 287 287 27082 1 . LYS 288 288 27082 1 . GLN 289 289 27082 1 . LEU 290 290 27082 1 . VAL 291 291 27082 1 . GLU 292 292 27082 1 . ASP 293 293 27082 1 . LEU 294 294 27082 1 . ASP 295 295 27082 1 . ARG 296 296 27082 1 . VAL 297 297 27082 1 . LEU 298 298 27082 1 . THR 299 299 27082 1 . VAL 300 300 27082 1 . THR 301 301 27082 1 . SER 302 302 27082 1 . THR 303 303 27082 1 . ASP 304 304 27082 1 . GLU 305 305 27082 1 . TYR 306 306 27082 1 . LEU 307 307 27082 1 . ASP 308 308 27082 1 . LEU 309 309 27082 1 . SER 310 310 27082 1 . ALA 311 311 27082 1 . PRO 312 312 27082 1 . PHE 313 313 27082 1 . GLU 314 314 27082 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 27082 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FGFR3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27082 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 27082 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FGFR3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pOPINS . . . 27082 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27082 _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 FGFR3 '[U-100% 13C; U-100% 15N]' . . 1 $FGFR3 . . 0.150 0.070 0.230 mM . . . . 27082 1 2 PIPES-NaOH 'natural abundance' . . . . . . 50 . . mM . . . . 27082 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 27082 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 27082 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 27082 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 27082 _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' 50 . mM 27082 1 pH 7 . pH 27082 1 pressure 1 . atm 27082 1 temperature 298.2 . K 27082 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27082 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27082 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27082 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27082 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27082 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27082 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 27082 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 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 27082 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 27082 1 2 spectrometer_2 Bruker Avance . 750 . . . 27082 1 3 spectrometer_3 Bruker Avance . 800 . . . 27082 1 4 spectrometer_4 Bruker Avance . 950 . . . 27082 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 27082 _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 . . . . . . . . . . . . . . . . 27082 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27082 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27082 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27082 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 27082 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . 0 27082 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . 0 27082 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . 0 27082 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 27082 _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' . . . 27082 1 2 '3D HNCA' . . . 27082 1 3 '3D HNCACB' . . . 27082 1 4 '3D HNCO' . . . 27082 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.Ambiguity_set_ID _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 GLU C C 13 175.764 0.000 . . . . . . . 456 GLU C . 27082 1 2 . 1 1 2 2 GLU CA C 13 56.035 0.000 . . . . . . . 456 GLU CA . 27082 1 3 . 1 1 2 2 GLU CB C 13 29.375 0.000 . . . . . . . 456 GLU CB . 27082 1 4 . 1 1 3 3 LEU H H 1 8.173 0.005 . . . . . . . 457 LEU HN . 27082 1 5 . 1 1 3 3 LEU C C 13 176.308 0.000 . . . . . . . 457 LEU C . 27082 1 6 . 1 1 3 3 LEU CA C 13 54.772 0.000 . . . . . . . 457 LEU CA . 27082 1 7 . 1 1 3 3 LEU CB C 13 41.550 0.000 . . . . . . . 457 LEU CB . 27082 1 8 . 1 1 3 3 LEU N N 15 123.419 0.038 . . . . . . . 457 LEU N . 27082 1 9 . 1 1 4 4 GLU H H 1 8.248 0.003 . . . . . . . 458 GLU HN . 27082 1 10 . 1 1 4 4 GLU C C 13 175.367 0.000 . . . . . . . 458 GLU C . 27082 1 11 . 1 1 4 4 GLU CA C 13 55.354 0.000 . . . . . . . 458 GLU CA . 27082 1 12 . 1 1 4 4 GLU CB C 13 29.394 0.000 . . . . . . . 458 GLU CB . 27082 1 13 . 1 1 4 4 GLU N N 15 123.781 0.050 . . . . . . . 458 GLU N . 27082 1 14 . 1 1 5 5 LEU H H 1 8.287 0.005 . . . . . . . 459 LEU HN . 27082 1 15 . 1 1 5 5 LEU CA C 13 52.011 0.000 . . . . . . . 459 LEU CA . 27082 1 16 . 1 1 5 5 LEU CB C 13 41.101 0.000 . . . . . . . 459 LEU CB . 27082 1 17 . 1 1 5 5 LEU N N 15 125.734 0.056 . . . . . . . 459 LEU N . 27082 1 18 . 1 1 6 6 PRO C C 13 175.813 0.000 . . . . . . . 460 PRO C . 27082 1 19 . 1 1 6 6 PRO CA C 13 61.846 0.000 . . . . . . . 460 PRO CA . 27082 1 20 . 1 1 6 6 PRO CB C 13 30.920 0.000 . . . . . . . 460 PRO CB . 27082 1 21 . 1 1 7 7 ALA H H 1 8.297 0.003 . . . . . . . 461 ALA HN . 27082 1 22 . 1 1 7 7 ALA CA C 13 51.416 0.000 . . . . . . . 461 ALA CA . 27082 1 23 . 1 1 7 7 ALA CB C 13 18.014 0.030 . . . . . . . 461 ALA CB . 27082 1 24 . 1 1 7 7 ALA N N 15 124.799 0.014 . . . . . . . 461 ALA N . 27082 1 25 . 1 1 8 8 ASP H H 1 8.567 0.002 . . . . . . . 462 ASP HN . 27082 1 26 . 1 1 8 8 ASP CA C 13 50.673 0.000 . . . . . . . 462 ASP CA . 27082 1 27 . 1 1 8 8 ASP CB C 13 41.373 0.000 . . . . . . . 462 ASP CB . 27082 1 28 . 1 1 8 8 ASP N N 15 122.051 0.000 . . . . . . . 462 ASP N . 27082 1 29 . 1 1 9 9 PRO C C 13 177.623 0.000 . . . . . . . 463 PRO C . 27082 1 30 . 1 1 10 10 LYS H H 1 8.111 0.008 . . . . . . . 464 LYS HN . 27082 1 31 . 1 1 10 10 LYS C C 13 176.637 0.000 . . . . . . . 464 LYS C . 27082 1 32 . 1 1 10 10 LYS CB C 13 31.350 0.000 . . . . . . . 464 LYS CB . 27082 1 33 . 1 1 10 10 LYS N N 15 118.055 0.074 . . . . . . . 464 LYS N . 27082 1 34 . 1 1 11 11 TRP H H 1 7.189 0.002 . . . . . . . 465 TRP HN . 27082 1 35 . 1 1 11 11 TRP C C 13 175.142 0.000 . . . . . . . 465 TRP C . 27082 1 36 . 1 1 11 11 TRP N N 15 115.429 0.036 . . . . . . . 465 TRP N . 27082 1 37 . 1 1 12 12 GLU H H 1 7.527 0.001 . . . . . . . 466 GLU HN . 27082 1 38 . 1 1 12 12 GLU C C 13 175.758 0.000 . . . . . . . 466 GLU C . 27082 1 39 . 1 1 12 12 GLU CA C 13 56.409 0.000 . . . . . . . 466 GLU CA . 27082 1 40 . 1 1 12 12 GLU CB C 13 28.476 0.000 . . . . . . . 466 GLU CB . 27082 1 41 . 1 1 12 12 GLU N N 15 122.305 0.012 . . . . . . . 466 GLU N . 27082 1 42 . 1 1 13 13 LEU H H 1 8.824 0.001 . . . . . . . 467 LEU HN . 27082 1 43 . 1 1 13 13 LEU C C 13 175.848 0.000 . . . . . . . 467 LEU C . 27082 1 44 . 1 1 13 13 LEU CA C 13 52.942 0.000 . . . . . . . 467 LEU CA . 27082 1 45 . 1 1 13 13 LEU CB C 13 43.621 0.000 . . . . . . . 467 LEU CB . 27082 1 46 . 1 1 13 13 LEU N N 15 131.483 0.052 . . . . . . . 467 LEU N . 27082 1 47 . 1 1 14 14 SER H H 1 8.508 0.010 . . . . . . . 468 SER HN . 27082 1 48 . 1 1 14 14 SER C C 13 176.510 0.000 . . . . . . . 468 SER C . 27082 1 49 . 1 1 14 14 SER CB C 13 63.000 0.063 . . . . . . . 468 SER CB . 27082 1 50 . 1 1 14 14 SER N N 15 119.507 0.086 . . . . . . . 468 SER N . 27082 1 51 . 1 1 15 15 ARG H H 1 8.867 0.003 . . . . . . . 469 ARG HN . 27082 1 52 . 1 1 15 15 ARG C C 13 177.114 0.000 . . . . . . . 469 ARG C . 27082 1 53 . 1 1 15 15 ARG CB C 13 28.243 0.000 . . . . . . . 469 ARG CB . 27082 1 54 . 1 1 15 15 ARG N N 15 128.372 0.091 . . . . . . . 469 ARG N . 27082 1 55 . 1 1 16 16 ALA H H 1 7.896 0.007 . . . . . . . 470 ALA HN . 27082 1 56 . 1 1 16 16 ALA C C 13 178.563 0.000 . . . . . . . 470 ALA C . 27082 1 57 . 1 1 16 16 ALA CA C 13 53.239 0.000 . . . . . . . 470 ALA CA . 27082 1 58 . 1 1 16 16 ALA CB C 13 17.352 0.034 . . . . . . . 470 ALA CB . 27082 1 59 . 1 1 16 16 ALA N N 15 121.152 0.060 . . . . . . . 470 ALA N . 27082 1 60 . 1 1 17 17 ARG H H 1 7.611 0.008 . . . . . . . 471 ARG HN . 27082 1 61 . 1 1 17 17 ARG C C 13 173.813 0.000 . . . . . . . 471 ARG C . 27082 1 62 . 1 1 17 17 ARG CA C 13 55.378 0.000 . . . . . . . 471 ARG CA . 27082 1 63 . 1 1 17 17 ARG CB C 13 29.049 0.000 . . . . . . . 471 ARG CB . 27082 1 64 . 1 1 17 17 ARG N N 15 115.912 0.045 . . . . . . . 471 ARG N . 27082 1 65 . 1 1 18 18 LEU H H 1 7.326 0.002 . . . . . . . 472 LEU HN . 27082 1 66 . 1 1 18 18 LEU C C 13 175.391 0.000 . . . . . . . 472 LEU C . 27082 1 67 . 1 1 18 18 LEU CA C 13 53.153 0.000 . . . . . . . 472 LEU CA . 27082 1 68 . 1 1 18 18 LEU N N 15 121.846 0.053 . . . . . . . 472 LEU N . 27082 1 69 . 1 1 19 19 THR H H 1 8.655 0.008 . . . . . . . 473 THR HN . 27082 1 70 . 1 1 19 19 THR C C 13 174.884 0.000 . . . . . . . 473 THR C . 27082 1 71 . 1 1 19 19 THR CA C 13 60.910 0.000 . . . . . . . 473 THR CA . 27082 1 72 . 1 1 19 19 THR CB C 13 69.403 0.096 . . . . . . . 473 THR CB . 27082 1 73 . 1 1 19 19 THR N N 15 121.172 0.059 . . . . . . . 473 THR N . 27082 1 74 . 1 1 20 20 LEU H H 1 9.004 0.003 . . . . . . . 474 LEU HN . 27082 1 75 . 1 1 20 20 LEU C C 13 176.563 0.000 . . . . . . . 474 LEU C . 27082 1 76 . 1 1 20 20 LEU CA C 13 56.250 0.000 . . . . . . . 474 LEU CA . 27082 1 77 . 1 1 20 20 LEU CB C 13 40.919 0.000 . . . . . . . 474 LEU CB . 27082 1 78 . 1 1 20 20 LEU N N 15 130.084 0.146 . . . . . . . 474 LEU N . 27082 1 79 . 1 1 21 21 GLY H H 1 8.747 0.004 . . . . . . . 475 GLY HN . 27082 1 80 . 1 1 21 21 GLY C C 13 173.046 0.000 . . . . . . . 475 GLY C . 27082 1 81 . 1 1 21 21 GLY CA C 13 43.828 0.000 . . . . . . . 475 GLY CA . 27082 1 82 . 1 1 21 21 GLY N N 15 113.976 0.066 . . . . . . . 475 GLY N . 27082 1 83 . 1 1 22 22 LYS H H 1 8.005 0.010 . . . . . . . 476 LYS HN . 27082 1 84 . 1 1 22 22 LYS CA C 13 54.436 0.000 . . . . . . . 476 LYS CA . 27082 1 85 . 1 1 22 22 LYS CB C 13 31.537 0.000 . . . . . . . 476 LYS CB . 27082 1 86 . 1 1 22 22 LYS N N 15 124.315 0.047 . . . . . . . 476 LYS N . 27082 1 87 . 1 1 23 23 PRO C C 13 176.612 0.000 . . . . . . . 477 PRO C . 27082 1 88 . 1 1 23 23 PRO CB C 13 31.728 0.000 . . . . . . . 477 PRO CB . 27082 1 89 . 1 1 24 24 LEU H H 1 8.966 0.004 . . . . . . . 478 LEU HN . 27082 1 90 . 1 1 24 24 LEU C C 13 177.298 0.000 . . . . . . . 478 LEU C . 27082 1 91 . 1 1 24 24 LEU N N 15 122.750 0.047 . . . . . . . 478 LEU N . 27082 1 92 . 1 1 25 25 GLY H H 1 7.898 0.006 . . . . . . . 479 GLY HN . 27082 1 93 . 1 1 25 25 GLY C C 13 172.278 0.000 . . . . . . . 479 GLY C . 27082 1 94 . 1 1 25 25 GLY N N 15 108.143 0.035 . . . . . . . 479 GLY N . 27082 1 95 . 1 1 26 26 GLU H H 1 8.287 0.002 . . . . . . . 480 GLU HN . 27082 1 96 . 1 1 26 26 GLU C C 13 175.932 0.000 . . . . . . . 480 GLU C . 27082 1 97 . 1 1 26 26 GLU CB C 13 30.723 0.000 . . . . . . . 480 GLU CB . 27082 1 98 . 1 1 26 26 GLU N N 15 119.495 0.088 . . . . . . . 480 GLU N . 27082 1 99 . 1 1 27 27 GLY H H 1 8.193 0.003 . . . . . . . 481 GLY HN . 27082 1 100 . 1 1 27 27 GLY N N 15 111.078 0.018 . . . . . . . 481 GLY N . 27082 1 101 . 1 1 28 28 ALA C C 13 177.785 0.000 . . . . . . . 482 ALA C . 27082 1 102 . 1 1 29 29 PHE H H 1 7.957 0.005 . . . . . . . 483 PHE HN . 27082 1 103 . 1 1 29 29 PHE C C 13 175.056 0.000 . . . . . . . 483 PHE C . 27082 1 104 . 1 1 29 29 PHE CB C 13 39.344 0.000 . . . . . . . 483 PHE CB . 27082 1 105 . 1 1 29 29 PHE N N 15 114.150 0.047 . . . . . . . 483 PHE N . 27082 1 106 . 1 1 30 30 GLY H H 1 7.493 0.011 . . . . . . . 484 GLY HN . 27082 1 107 . 1 1 30 30 GLY C C 13 171.778 0.000 . . . . . . . 484 GLY C . 27082 1 108 . 1 1 30 30 GLY N N 15 109.155 0.061 . . . . . . . 484 GLY N . 27082 1 109 . 1 1 31 31 GLN H H 1 8.578 0.005 . . . . . . . 485 GLN HN . 27082 1 110 . 1 1 31 31 GLN C C 13 173.427 0.000 . . . . . . . 485 GLN C . 27082 1 111 . 1 1 31 31 GLN CB C 13 30.492 0.000 . . . . . . . 485 GLN CB . 27082 1 112 . 1 1 31 31 GLN N N 15 119.416 0.041 . . . . . . . 485 GLN N . 27082 1 113 . 1 1 32 32 VAL H H 1 8.270 0.002 . . . . . . . 486 VAL HN . 27082 1 114 . 1 1 32 32 VAL C C 13 175.890 0.000 . . . . . . . 486 VAL C . 27082 1 115 . 1 1 32 32 VAL CB C 13 32.914 0.000 . . . . . . . 486 VAL CB . 27082 1 116 . 1 1 32 32 VAL N N 15 121.991 0.033 . . . . . . . 486 VAL N . 27082 1 117 . 1 1 33 33 VAL H H 1 8.976 0.003 . . . . . . . 487 VAL HN . 27082 1 118 . 1 1 33 33 VAL C C 13 174.277 0.000 . . . . . . . 487 VAL C . 27082 1 119 . 1 1 33 33 VAL N N 15 124.601 0.011 . . . . . . . 487 VAL N . 27082 1 120 . 1 1 34 34 MET H H 1 8.552 0.003 . . . . . . . 488 MET HN . 27082 1 121 . 1 1 34 34 MET C C 13 177.208 0.000 . . . . . . . 488 MET C . 27082 1 122 . 1 1 34 34 MET N N 15 125.105 0.187 . . . . . . . 488 MET N . 27082 1 123 . 1 1 35 35 ALA H H 1 8.569 0.006 . . . . . . . 489 ALA HN . 27082 1 124 . 1 1 35 35 ALA C C 13 174.576 0.000 . . . . . . . 489 ALA C . 27082 1 125 . 1 1 35 35 ALA CB C 13 24.415 0.106 . . . . . . . 489 ALA CB . 27082 1 126 . 1 1 35 35 ALA N N 15 122.285 0.063 . . . . . . . 489 ALA N . 27082 1 127 . 1 1 36 36 GLU H H 1 7.880 0.003 . . . . . . . 490 GLU HN . 27082 1 128 . 1 1 36 36 GLU C C 13 175.198 0.000 . . . . . . . 490 GLU C . 27082 1 129 . 1 1 36 36 GLU CB C 13 31.615 0.000 . . . . . . . 490 GLU CB . 27082 1 130 . 1 1 36 36 GLU N N 15 117.313 0.059 . . . . . . . 490 GLU N . 27082 1 131 . 1 1 37 37 ALA H H 1 9.197 0.011 . . . . . . . 491 ALA HN . 27082 1 132 . 1 1 37 37 ALA C C 13 176.145 0.000 . . . . . . . 491 ALA C . 27082 1 133 . 1 1 37 37 ALA CB C 13 21.313 0.034 . . . . . . . 491 ALA CB . 27082 1 134 . 1 1 37 37 ALA N N 15 128.114 0.112 . . . . . . . 491 ALA N . 27082 1 135 . 1 1 38 38 ILE H H 1 8.423 0.009 . . . . . . . 492 ILE HN . 27082 1 136 . 1 1 38 38 ILE C C 13 176.372 0.000 . . . . . . . 492 ILE C . 27082 1 137 . 1 1 38 38 ILE CB C 13 38.314 0.000 . . . . . . . 492 ILE CB . 27082 1 138 . 1 1 38 38 ILE N N 15 122.975 0.063 . . . . . . . 492 ILE N . 27082 1 139 . 1 1 39 39 GLY H H 1 7.943 0.010 . . . . . . . 493 GLY HN . 27082 1 140 . 1 1 39 39 GLY C C 13 174.419 0.000 . . . . . . . 493 GLY C . 27082 1 141 . 1 1 39 39 GLY N N 15 113.354 0.038 . . . . . . . 493 GLY N . 27082 1 142 . 1 1 40 40 ILE H H 1 7.072 0.007 . . . . . . . 494 ILE HN . 27082 1 143 . 1 1 40 40 ILE C C 13 175.177 0.000 . . . . . . . 494 ILE C . 27082 1 144 . 1 1 40 40 ILE CB C 13 37.417 0.003 . . . . . . . 494 ILE CB . 27082 1 145 . 1 1 40 40 ILE N N 15 116.587 0.069 . . . . . . . 494 ILE N . 27082 1 146 . 1 1 41 41 ASP H H 1 8.110 0.003 . . . . . . . 495 ASP HN . 27082 1 147 . 1 1 41 41 ASP C C 13 176.728 0.000 . . . . . . . 495 ASP C . 27082 1 148 . 1 1 41 41 ASP CB C 13 40.663 0.026 . . . . . . . 495 ASP CB . 27082 1 149 . 1 1 41 41 ASP N N 15 121.621 0.069 . . . . . . . 495 ASP N . 27082 1 150 . 1 1 42 42 LYS H H 1 8.399 0.004 . . . . . . . 496 LYS HN . 27082 1 151 . 1 1 42 42 LYS C C 13 177.131 0.000 . . . . . . . 496 LYS C . 27082 1 152 . 1 1 42 42 LYS CB C 13 30.618 0.001 . . . . . . . 496 LYS CB . 27082 1 153 . 1 1 42 42 LYS N N 15 123.387 0.075 . . . . . . . 496 LYS N . 27082 1 154 . 1 1 43 43 ASP H H 1 8.131 0.008 . . . . . . . 497 ASP HN . 27082 1 155 . 1 1 43 43 ASP C C 13 176.029 0.000 . . . . . . . 497 ASP C . 27082 1 156 . 1 1 43 43 ASP CB C 13 40.604 0.063 . . . . . . . 497 ASP CB . 27082 1 157 . 1 1 43 43 ASP N N 15 118.076 0.043 . . . . . . . 497 ASP N . 27082 1 158 . 1 1 44 44 ARG H H 1 7.776 0.005 . . . . . . . 498 ARG HN . 27082 1 159 . 1 1 44 44 ARG C C 13 176.043 0.000 . . . . . . . 498 ARG C . 27082 1 160 . 1 1 44 44 ARG CB C 13 29.211 0.010 . . . . . . . 498 ARG CB . 27082 1 161 . 1 1 44 44 ARG N N 15 122.408 0.090 . . . . . . . 498 ARG N . 27082 1 162 . 1 1 45 45 ALA H H 1 8.137 0.004 . . . . . . . 499 ALA HN . 27082 1 163 . 1 1 45 45 ALA C C 13 177.410 0.000 . . . . . . . 499 ALA C . 27082 1 164 . 1 1 45 45 ALA CB C 13 17.971 0.000 . . . . . . . 499 ALA CB . 27082 1 165 . 1 1 45 45 ALA N N 15 124.507 0.045 . . . . . . . 499 ALA N . 27082 1 166 . 1 1 46 46 ALA H H 1 8.160 0.000 . . . . . . . 500 ALA HN . 27082 1 167 . 1 1 46 46 ALA C C 13 176.865 0.000 . . . . . . . 500 ALA C . 27082 1 168 . 1 1 46 46 ALA CB C 13 18.030 0.000 . . . . . . . 500 ALA CB . 27082 1 169 . 1 1 46 46 ALA N N 15 119.092 0.093 . . . . . . . 500 ALA N . 27082 1 170 . 1 1 47 47 LYS H H 1 7.655 0.001 . . . . . . . 501 LYS HN . 27082 1 171 . 1 1 47 47 LYS CB C 13 32.693 0.000 . . . . . . . 501 LYS CB . 27082 1 172 . 1 1 47 47 LYS N N 15 120.988 0.054 . . . . . . . 501 LYS N . 27082 1 173 . 1 1 48 48 PRO C C 13 175.895 0.000 . . . . . . . 502 PRO C . 27082 1 174 . 1 1 48 48 PRO CB C 13 31.120 0.000 . . . . . . . 502 PRO CB . 27082 1 175 . 1 1 49 49 VAL H H 1 8.512 0.003 . . . . . . . 503 VAL HN . 27082 1 176 . 1 1 49 49 VAL C C 13 175.206 0.000 . . . . . . . 503 VAL C . 27082 1 177 . 1 1 49 49 VAL CB C 13 34.441 0.054 . . . . . . . 503 VAL CB . 27082 1 178 . 1 1 49 49 VAL N N 15 123.983 0.097 . . . . . . . 503 VAL N . 27082 1 179 . 1 1 50 50 THR H H 1 8.528 0.003 . . . . . . . 504 THR HN . 27082 1 180 . 1 1 50 50 THR C C 13 173.746 0.000 . . . . . . . 504 THR C . 27082 1 181 . 1 1 50 50 THR CB C 13 67.751 0.000 . . . . . . . 504 THR CB . 27082 1 182 . 1 1 50 50 THR N N 15 124.696 0.178 . . . . . . . 504 THR N . 27082 1 183 . 1 1 51 51 VAL H H 1 9.003 0.005 . . . . . . . 505 VAL HN . 27082 1 184 . 1 1 51 51 VAL C C 13 174.328 0.000 . . . . . . . 505 VAL C . 27082 1 185 . 1 1 51 51 VAL CB C 13 33.742 0.000 . . . . . . . 505 VAL CB . 27082 1 186 . 1 1 51 51 VAL N N 15 121.117 0.060 . . . . . . . 505 VAL N . 27082 1 187 . 1 1 52 52 ALA H H 1 8.557 0.003 . . . . . . . 506 ALA HN . 27082 1 188 . 1 1 52 52 ALA C C 13 175.138 0.000 . . . . . . . 506 ALA C . 27082 1 189 . 1 1 52 52 ALA CB C 13 19.966 0.000 . . . . . . . 506 ALA CB . 27082 1 190 . 1 1 52 52 ALA N N 15 122.123 0.046 . . . . . . . 506 ALA N . 27082 1 191 . 1 1 53 53 VAL H H 1 9.172 0.000 . . . . . . . 507 VAL HN . 27082 1 192 . 1 1 53 53 VAL C C 13 175.300 0.000 . . . . . . . 507 VAL C . 27082 1 193 . 1 1 53 53 VAL N N 15 121.577 0.000 . . . . . . . 507 VAL N . 27082 1 194 . 1 1 54 54 LYS H H 1 9.367 0.007 . . . . . . . 508 LYS HN . 27082 1 195 . 1 1 54 54 LYS C C 13 174.703 0.000 . . . . . . . 508 LYS C . 27082 1 196 . 1 1 54 54 LYS CB C 13 32.468 0.088 . . . . . . . 508 LYS CB . 27082 1 197 . 1 1 54 54 LYS N N 15 126.943 0.124 . . . . . . . 508 LYS N . 27082 1 198 . 1 1 55 55 MET H H 1 8.468 0.007 . . . . . . . 509 MET HN . 27082 1 199 . 1 1 55 55 MET C C 13 173.874 0.000 . . . . . . . 509 MET C . 27082 1 200 . 1 1 55 55 MET CB C 13 35.972 0.065 . . . . . . . 509 MET CB . 27082 1 201 . 1 1 55 55 MET N N 15 118.907 0.034 . . . . . . . 509 MET N . 27082 1 202 . 1 1 56 56 LEU H H 1 8.989 0.005 . . . . . . . 510 LEU HN . 27082 1 203 . 1 1 56 56 LEU C C 13 178.670 0.000 . . . . . . . 510 LEU C . 27082 1 204 . 1 1 56 56 LEU CA C 13 53.804 0.000 . . . . . . . 510 LEU CA . 27082 1 205 . 1 1 56 56 LEU CB C 13 41.338 0.028 . . . . . . . 510 LEU CB . 27082 1 206 . 1 1 56 56 LEU N N 15 119.948 0.089 . . . . . . . 510 LEU N . 27082 1 207 . 1 1 57 57 LYS H H 1 8.571 0.007 . . . . . . . 511 LYS HN . 27082 1 208 . 1 1 57 57 LYS C C 13 177.169 0.000 . . . . . . . 511 LYS C . 27082 1 209 . 1 1 57 57 LYS CB C 13 32.697 0.000 . . . . . . . 511 LYS CB . 27082 1 210 . 1 1 57 57 LYS N N 15 120.503 0.040 . . . . . . . 511 LYS N . 27082 1 211 . 1 1 58 58 ASP H H 1 8.597 0.004 . . . . . . . 512 ASP HN . 27082 1 212 . 1 1 58 58 ASP C C 13 176.215 0.000 . . . . . . . 512 ASP C . 27082 1 213 . 1 1 58 58 ASP CB C 13 39.758 0.050 . . . . . . . 512 ASP CB . 27082 1 214 . 1 1 58 58 ASP N N 15 120.707 0.098 . . . . . . . 512 ASP N . 27082 1 215 . 1 1 59 59 ASP H H 1 8.258 0.003 . . . . . . . 513 ASP HN . 27082 1 216 . 1 1 59 59 ASP C C 13 175.346 0.000 . . . . . . . 513 ASP C . 27082 1 217 . 1 1 59 59 ASP CB C 13 38.505 0.016 . . . . . . . 513 ASP CB . 27082 1 218 . 1 1 59 59 ASP N N 15 116.887 0.062 . . . . . . . 513 ASP N . 27082 1 219 . 1 1 60 60 ALA H H 1 7.147 0.006 . . . . . . . 514 ALA HN . 27082 1 220 . 1 1 60 60 ALA C C 13 177.915 0.000 . . . . . . . 514 ALA C . 27082 1 221 . 1 1 60 60 ALA CB C 13 20.909 0.047 . . . . . . . 514 ALA CB . 27082 1 222 . 1 1 60 60 ALA N N 15 121.971 0.042 . . . . . . . 514 ALA N . 27082 1 223 . 1 1 61 61 THR H H 1 9.107 0.015 . . . . . . . 515 THR HN . 27082 1 224 . 1 1 61 61 THR C C 13 175.392 0.000 . . . . . . . 515 THR C . 27082 1 225 . 1 1 61 61 THR CB C 13 71.818 0.000 . . . . . . . 515 THR CB . 27082 1 226 . 1 1 61 61 THR N N 15 112.493 0.046 . . . . . . . 515 THR N . 27082 1 227 . 1 1 62 62 ASP H H 1 8.735 0.005 . . . . . . . 516 ASP HN . 27082 1 228 . 1 1 62 62 ASP CB C 13 39.309 0.000 . . . . . . . 516 ASP CB . 27082 1 229 . 1 1 62 62 ASP N N 15 120.891 0.076 . . . . . . . 516 ASP N . 27082 1 230 . 1 1 63 63 LYS H H 1 7.757 0.000 . . . . . . . 517 LYS HN . 27082 1 231 . 1 1 63 63 LYS C C 13 177.358 0.000 . . . . . . . 517 LYS C . 27082 1 232 . 1 1 63 63 LYS CA C 13 57.885 0.000 . . . . . . . 517 LYS CA . 27082 1 233 . 1 1 63 63 LYS N N 15 121.003 0.000 . . . . . . . 517 LYS N . 27082 1 234 . 1 1 64 64 ASP H H 1 7.373 0.001 . . . . . . . 518 ASP HN . 27082 1 235 . 1 1 64 64 ASP C C 13 178.299 0.000 . . . . . . . 518 ASP C . 27082 1 236 . 1 1 64 64 ASP CA C 13 57.425 0.000 . . . . . . . 518 ASP CA . 27082 1 237 . 1 1 64 64 ASP CB C 13 40.279 0.000 . . . . . . . 518 ASP CB . 27082 1 238 . 1 1 64 64 ASP N N 15 119.971 0.028 . . . . . . . 518 ASP N . 27082 1 239 . 1 1 65 65 LEU H H 1 7.512 0.003 . . . . . . . 519 LEU HN . 27082 1 240 . 1 1 65 65 LEU C C 13 177.471 0.000 . . . . . . . 519 LEU C . 27082 1 241 . 1 1 65 65 LEU CA C 13 58.107 0.000 . . . . . . . 519 LEU CA . 27082 1 242 . 1 1 65 65 LEU CB C 13 39.640 0.000 . . . . . . . 519 LEU CB . 27082 1 243 . 1 1 65 65 LEU N N 15 120.307 0.030 . . . . . . . 519 LEU N . 27082 1 244 . 1 1 66 66 SER H H 1 8.030 0.005 . . . . . . . 520 SER HN . 27082 1 245 . 1 1 66 66 SER C C 13 177.336 0.000 . . . . . . . 520 SER C . 27082 1 246 . 1 1 66 66 SER CA C 13 61.368 0.000 . . . . . . . 520 SER CA . 27082 1 247 . 1 1 66 66 SER N N 15 114.374 0.032 . . . . . . . 520 SER N . 27082 1 248 . 1 1 67 67 ASP H H 1 8.427 0.005 . . . . . . . 521 ASP HN . 27082 1 249 . 1 1 67 67 ASP C C 13 178.379 0.000 . . . . . . . 521 ASP C . 27082 1 250 . 1 1 67 67 ASP CA C 13 57.040 0.000 . . . . . . . 521 ASP CA . 27082 1 251 . 1 1 67 67 ASP CB C 13 38.680 0.000 . . . . . . . 521 ASP CB . 27082 1 252 . 1 1 67 67 ASP N N 15 123.198 0.130 . . . . . . . 521 ASP N . 27082 1 253 . 1 1 68 68 LEU H H 1 7.744 0.009 . . . . . . . 522 LEU HN . 27082 1 254 . 1 1 68 68 LEU C C 13 178.350 0.000 . . . . . . . 522 LEU C . 27082 1 255 . 1 1 68 68 LEU CA C 13 57.565 0.000 . . . . . . . 522 LEU CA . 27082 1 256 . 1 1 68 68 LEU CB C 13 40.236 0.039 . . . . . . . 522 LEU CB . 27082 1 257 . 1 1 68 68 LEU N N 15 125.512 0.034 . . . . . . . 522 LEU N . 27082 1 258 . 1 1 69 69 VAL H H 1 8.462 0.005 . . . . . . . 523 VAL HN . 27082 1 259 . 1 1 69 69 VAL C C 13 177.618 0.000 . . . . . . . 523 VAL C . 27082 1 260 . 1 1 69 69 VAL CB C 13 30.940 0.000 . . . . . . . 523 VAL CB . 27082 1 261 . 1 1 69 69 VAL N N 15 120.265 0.043 . . . . . . . 523 VAL N . 27082 1 262 . 1 1 70 70 SER H H 1 8.416 0.005 . . . . . . . 524 SER HN . 27082 1 263 . 1 1 70 70 SER C C 13 176.727 0.000 . . . . . . . 524 SER C . 27082 1 264 . 1 1 70 70 SER CB C 13 62.235 0.000 . . . . . . . 524 SER CB . 27082 1 265 . 1 1 70 70 SER N N 15 114.498 0.073 . . . . . . . 524 SER N . 27082 1 266 . 1 1 71 71 GLU H H 1 7.760 0.006 . . . . . . . 525 GLU HN . 27082 1 267 . 1 1 71 71 GLU C C 13 178.046 0.000 . . . . . . . 525 GLU C . 27082 1 268 . 1 1 71 71 GLU CB C 13 28.010 0.000 . . . . . . . 525 GLU CB . 27082 1 269 . 1 1 71 71 GLU N N 15 124.622 0.124 . . . . . . . 525 GLU N . 27082 1 270 . 1 1 72 72 MET H H 1 8.035 0.004 . . . . . . . 526 MET HN . 27082 1 271 . 1 1 72 72 MET C C 13 177.092 0.000 . . . . . . . 526 MET C . 27082 1 272 . 1 1 72 72 MET CA C 13 59.464 0.000 . . . . . . . 526 MET CA . 27082 1 273 . 1 1 72 72 MET CB C 13 31.186 0.000 . . . . . . . 526 MET CB . 27082 1 274 . 1 1 72 72 MET N N 15 120.264 0.002 . . . . . . . 526 MET N . 27082 1 275 . 1 1 73 73 GLU H H 1 8.748 0.001 . . . . . . . 527 GLU HN . 27082 1 276 . 1 1 73 73 GLU C C 13 179.630 0.000 . . . . . . . 527 GLU C . 27082 1 277 . 1 1 73 73 GLU CA C 13 58.567 0.000 . . . . . . . 527 GLU CA . 27082 1 278 . 1 1 73 73 GLU CB C 13 28.193 0.000 . . . . . . . 527 GLU CB . 27082 1 279 . 1 1 73 73 GLU N N 15 117.437 0.095 . . . . . . . 527 GLU N . 27082 1 280 . 1 1 74 74 MET H H 1 8.387 0.002 . . . . . . . 528 MET HN . 27082 1 281 . 1 1 74 74 MET C C 13 178.820 0.000 . . . . . . . 528 MET C . 27082 1 282 . 1 1 74 74 MET CB C 13 30.314 0.000 . . . . . . . 528 MET CB . 27082 1 283 . 1 1 74 74 MET N N 15 121.688 0.041 . . . . . . . 528 MET N . 27082 1 284 . 1 1 75 75 MET H H 1 8.221 0.001 . . . . . . . 529 MET HN . 27082 1 285 . 1 1 75 75 MET C C 13 179.805 0.000 . . . . . . . 529 MET C . 27082 1 286 . 1 1 75 75 MET CB C 13 33.913 0.000 . . . . . . . 529 MET CB . 27082 1 287 . 1 1 75 75 MET N N 15 117.799 0.118 . . . . . . . 529 MET N . 27082 1 288 . 1 1 76 76 LYS H H 1 7.751 0.000 . . . . . . . 530 LYS HN . 27082 1 289 . 1 1 76 76 LYS C C 13 174.285 0.000 . . . . . . . 530 LYS C . 27082 1 290 . 1 1 76 76 LYS CB C 13 32.508 0.000 . . . . . . . 530 LYS CB . 27082 1 291 . 1 1 76 76 LYS N N 15 119.475 0.000 . . . . . . . 530 LYS N . 27082 1 292 . 1 1 77 77 MET H H 1 7.411 0.003 . . . . . . . 531 MET HN . 27082 1 293 . 1 1 77 77 MET C C 13 178.148 0.000 . . . . . . . 531 MET C . 27082 1 294 . 1 1 77 77 MET CB C 13 32.230 0.000 . . . . . . . 531 MET CB . 27082 1 295 . 1 1 77 77 MET N N 15 117.277 0.033 . . . . . . . 531 MET N . 27082 1 296 . 1 1 78 78 ILE H H 1 8.109 0.008 . . . . . . . 532 ILE HN . 27082 1 297 . 1 1 78 78 ILE C C 13 176.567 0.000 . . . . . . . 532 ILE C . 27082 1 298 . 1 1 78 78 ILE CB C 13 38.403 0.000 . . . . . . . 532 ILE CB . 27082 1 299 . 1 1 78 78 ILE N N 15 120.378 0.060 . . . . . . . 532 ILE N . 27082 1 300 . 1 1 79 79 GLY H H 1 7.225 0.002 . . . . . . . 533 GLY HN . 27082 1 301 . 1 1 79 79 GLY C C 13 171.569 0.000 . . . . . . . 533 GLY C . 27082 1 302 . 1 1 79 79 GLY N N 15 106.767 0.086 . . . . . . . 533 GLY N . 27082 1 303 . 1 1 80 80 LYS H H 1 7.662 0.002 . . . . . . . 534 LYS HN . 27082 1 304 . 1 1 80 80 LYS C C 13 176.272 0.000 . . . . . . . 534 LYS C . 27082 1 305 . 1 1 80 80 LYS CB C 13 34.297 0.000 . . . . . . . 534 LYS CB . 27082 1 306 . 1 1 80 80 LYS N N 15 116.383 0.033 . . . . . . . 534 LYS N . 27082 1 307 . 1 1 81 81 HIS H H 1 7.774 0.001 . . . . . . . 535 HIS HN . 27082 1 308 . 1 1 81 81 HIS C C 13 174.467 0.000 . . . . . . . 535 HIS C . 27082 1 309 . 1 1 81 81 HIS CB C 13 33.713 0.061 . . . . . . . 535 HIS CB . 27082 1 310 . 1 1 81 81 HIS N N 15 119.190 0.019 . . . . . . . 535 HIS N . 27082 1 311 . 1 1 82 82 LYS H H 1 7.418 0.003 . . . . . . . 536 LYS HN . 27082 1 312 . 1 1 82 82 LYS C C 13 177.272 0.000 . . . . . . . 536 LYS C . 27082 1 313 . 1 1 82 82 LYS CA C 13 58.898 0.000 . . . . . . . 536 LYS CA . 27082 1 314 . 1 1 82 82 LYS CB C 13 32.241 0.000 . . . . . . . 536 LYS CB . 27082 1 315 . 1 1 82 82 LYS N N 15 127.879 0.074 . . . . . . . 536 LYS N . 27082 1 316 . 1 1 83 83 ASN H H 1 11.191 0.000 . . . . . . . 537 ASN HN . 27082 1 317 . 1 1 83 83 ASN C C 13 174.072 0.000 . . . . . . . 537 ASN C . 27082 1 318 . 1 1 83 83 ASN CA C 13 54.564 0.000 . . . . . . . 537 ASN CA . 27082 1 319 . 1 1 83 83 ASN CB C 13 39.852 0.000 . . . . . . . 537 ASN CB . 27082 1 320 . 1 1 83 83 ASN N N 15 118.835 0.000 . . . . . . . 537 ASN N . 27082 1 321 . 1 1 84 84 ILE H H 1 7.321 0.006 . . . . . . . 538 ILE HN . 27082 1 322 . 1 1 84 84 ILE C C 13 173.637 0.000 . . . . . . . 538 ILE C . 27082 1 323 . 1 1 84 84 ILE CA C 13 59.216 0.000 . . . . . . . 538 ILE CA . 27082 1 324 . 1 1 84 84 ILE CB C 13 39.419 0.073 . . . . . . . 538 ILE CB . 27082 1 325 . 1 1 84 84 ILE N N 15 111.900 0.043 . . . . . . . 538 ILE N . 27082 1 326 . 1 1 85 85 ILE H H 1 7.986 0.007 . . . . . . . 539 ILE HN . 27082 1 327 . 1 1 85 85 ILE C C 13 174.846 0.000 . . . . . . . 539 ILE C . 27082 1 328 . 1 1 85 85 ILE CA C 13 57.929 0.000 . . . . . . . 539 ILE CA . 27082 1 329 . 1 1 85 85 ILE CB C 13 34.681 0.000 . . . . . . . 539 ILE CB . 27082 1 330 . 1 1 85 85 ILE N N 15 120.351 0.032 . . . . . . . 539 ILE N . 27082 1 331 . 1 1 86 86 ASN H H 1 8.774 0.012 . . . . . . . 540 ASN HN . 27082 1 332 . 1 1 86 86 ASN C C 13 175.235 0.000 . . . . . . . 540 ASN C . 27082 1 333 . 1 1 86 86 ASN CA C 13 53.449 0.000 . . . . . . . 540 ASN CA . 27082 1 334 . 1 1 86 86 ASN CB C 13 39.961 0.000 . . . . . . . 540 ASN CB . 27082 1 335 . 1 1 86 86 ASN N N 15 125.360 0.092 . . . . . . . 540 ASN N . 27082 1 336 . 1 1 87 87 LEU H H 1 8.169 0.004 . . . . . . . 541 LEU HN . 27082 1 337 . 1 1 87 87 LEU C C 13 175.420 0.000 . . . . . . . 541 LEU C . 27082 1 338 . 1 1 87 87 LEU CA C 13 54.705 0.000 . . . . . . . 541 LEU CA . 27082 1 339 . 1 1 87 87 LEU CB C 13 41.741 0.000 . . . . . . . 541 LEU CB . 27082 1 340 . 1 1 87 87 LEU N N 15 120.844 0.026 . . . . . . . 541 LEU N . 27082 1 341 . 1 1 88 88 LEU H H 1 9.306 0.014 . . . . . . . 542 LEU HN . 27082 1 342 . 1 1 88 88 LEU C C 13 177.566 0.000 . . . . . . . 542 LEU C . 27082 1 343 . 1 1 88 88 LEU CA C 13 53.917 0.000 . . . . . . . 542 LEU CA . 27082 1 344 . 1 1 88 88 LEU N N 15 123.739 0.027 . . . . . . . 542 LEU N . 27082 1 345 . 1 1 89 89 GLY H H 1 7.852 0.007 . . . . . . . 543 GLY HN . 27082 1 346 . 1 1 89 89 GLY C C 13 171.45 0.000 . . . . . . . 543 GLY C . 27082 1 347 . 1 1 89 89 GLY CA C 13 45.417 0.000 . . . . . . . 543 GLY CA . 27082 1 348 . 1 1 89 89 GLY N N 15 104.884 0.074 . . . . . . . 543 GLY N . 27082 1 349 . 1 1 90 90 ALA H H 1 8.589 0.001 . . . . . . . 544 ALA HN . 27082 1 350 . 1 1 90 90 ALA C C 13 174.623 0.000 . . . . . . . 544 ALA C . 27082 1 351 . 1 1 90 90 ALA CA C 13 51.348 0.000 . . . . . . . 544 ALA CA . 27082 1 352 . 1 1 90 90 ALA CB C 13 22.618 0.018 . . . . . . . 544 ALA CB . 27082 1 353 . 1 1 90 90 ALA N N 15 121.234 0.050 . . . . . . . 544 ALA N . 27082 1 354 . 1 1 91 91 CYS H H 1 9.109 0.012 . . . . . . . 545 CYS HN . 27082 1 355 . 1 1 91 91 CYS C C 13 174.298 0.000 . . . . . . . 545 CYS C . 27082 1 356 . 1 1 91 91 CYS CA C 13 56.450 0.000 . . . . . . . 545 CYS CA . 27082 1 357 . 1 1 91 91 CYS CB C 13 28.348 0.000 . . . . . . . 545 CYS CB . 27082 1 358 . 1 1 91 91 CYS N N 15 119.278 0.060 . . . . . . . 545 CYS N . 27082 1 359 . 1 1 92 92 THR H H 1 10.349 0.002 . . . . . . . 546 THR HN . 27082 1 360 . 1 1 92 92 THR C C 13 174.898 0.000 . . . . . . . 546 THR C . 27082 1 361 . 1 1 92 92 THR CA C 13 61.643 0.000 . . . . . . . 546 THR CA . 27082 1 362 . 1 1 92 92 THR CB C 13 69.777 0.000 . . . . . . . 546 THR CB . 27082 1 363 . 1 1 92 92 THR N N 15 116.081 0.051 . . . . . . . 546 THR N . 27082 1 364 . 1 1 93 93 GLN H H 1 7.452 0.008 . . . . . . . 547 GLN HN . 27082 1 365 . 1 1 93 93 GLN C C 13 175.335 0.000 . . . . . . . 547 GLN C . 27082 1 366 . 1 1 93 93 GLN CA C 13 53.477 0.000 . . . . . . . 547 GLN CA . 27082 1 367 . 1 1 93 93 GLN CB C 13 29.906 0.000 . . . . . . . 547 GLN CB . 27082 1 368 . 1 1 93 93 GLN N N 15 120.825 0.048 . . . . . . . 547 GLN N . 27082 1 369 . 1 1 94 94 GLY H H 1 7.863 0.001 . . . . . . . 548 GLY HN . 27082 1 370 . 1 1 94 94 GLY C C 13 173.386 0.000 . . . . . . . 548 GLY C . 27082 1 371 . 1 1 94 94 GLY N N 15 110.217 0.005 . . . . . . . 548 GLY N . 27082 1 372 . 1 1 95 95 GLY H H 1 7.289 0.003 . . . . . . . 549 GLY HN . 27082 1 373 . 1 1 95 95 GLY N N 15 106.883 0.054 . . . . . . . 549 GLY N . 27082 1 374 . 1 1 96 96 PRO C C 13 175.648 0.000 . . . . . . . 550 PRO C . 27082 1 375 . 1 1 96 96 PRO CA C 13 61.580 0.000 . . . . . . . 550 PRO CA . 27082 1 376 . 1 1 96 96 PRO CB C 13 31.546 0.000 . . . . . . . 550 PRO CB . 27082 1 377 . 1 1 97 97 LEU H H 1 7.991 0.006 . . . . . . . 551 LEU HN . 27082 1 378 . 1 1 97 97 LEU C C 13 175.361 0.000 . . . . . . . 551 LEU C . 27082 1 379 . 1 1 97 97 LEU CA C 13 55.312 0.000 . . . . . . . 551 LEU CA . 27082 1 380 . 1 1 97 97 LEU CB C 13 40.666 0.000 . . . . . . . 551 LEU CB . 27082 1 381 . 1 1 97 97 LEU N N 15 124.308 0.063 . . . . . . . 551 LEU N . 27082 1 382 . 1 1 98 98 TYR C C 13 174.905 0.000 . . . . . . . 552 TYR C . 27082 1 383 . 1 1 98 98 TYR CB C 13 40.041 0.015 . . . . . . . 552 TYR CB . 27082 1 384 . 1 1 99 99 VAL H H 1 8.910 0.010 . . . . . . . 553 VAL HN . 27082 1 385 . 1 1 99 99 VAL C C 13 173.809 0.000 . . . . . . . 553 VAL C . 27082 1 386 . 1 1 99 99 VAL CA C 13 62.241 0.000 . . . . . . . 553 VAL CA . 27082 1 387 . 1 1 99 99 VAL CB C 13 32.613 0.000 . . . . . . . 553 VAL CB . 27082 1 388 . 1 1 99 99 VAL N N 15 123.855 0.041 . . . . . . . 553 VAL N . 27082 1 389 . 1 1 100 100 LEU H H 1 8.690 0.002 . . . . . . . 554 LEU HN . 27082 1 390 . 1 1 100 100 LEU C C 13 175.298 0.000 . . . . . . . 554 LEU C . 27082 1 391 . 1 1 100 100 LEU CA C 13 54.583 0.000 . . . . . . . 554 LEU CA . 27082 1 392 . 1 1 100 100 LEU CB C 13 41.420 0.000 . . . . . . . 554 LEU CB . 27082 1 393 . 1 1 100 100 LEU N N 15 128.045 0.152 . . . . . . . 554 LEU N . 27082 1 394 . 1 1 101 101 VAL H H 1 9.433 0.007 . . . . . . . 555 VAL HN . 27082 1 395 . 1 1 101 101 VAL C C 13 174.258 0.000 . . . . . . . 555 VAL C . 27082 1 396 . 1 1 101 101 VAL N N 15 117.354 0.043 . . . . . . . 555 VAL N . 27082 1 397 . 1 1 102 102 GLU C C 13 174.019 0.000 . . . . . . . 556 GLU C . 27082 1 398 . 1 1 102 102 GLU CB C 13 30.996 0.000 . . . . . . . 556 GLU CB . 27082 1 399 . 1 1 103 103 TYR H H 1 8.351 0.006 . . . . . . . 557 TYR HN . 27082 1 400 . 1 1 103 103 TYR C C 13 173.997 0.000 . . . . . . . 557 TYR C . 27082 1 401 . 1 1 103 103 TYR CB C 13 39.660 0.000 . . . . . . . 557 TYR CB . 27082 1 402 . 1 1 103 103 TYR N N 15 119.294 0.103 . . . . . . . 557 TYR N . 27082 1 403 . 1 1 104 104 ALA H H 1 8.607 0.016 . . . . . . . 558 ALA HN . 27082 1 404 . 1 1 104 104 ALA CB C 13 19.309 0.000 . . . . . . . 558 ALA CB . 27082 1 405 . 1 1 104 104 ALA N N 15 134.330 0.000 . . . . . . . 558 ALA N . 27082 1 406 . 1 1 106 106 LYS C C 13 176.043 0.000 . . . . . . . 560 LYS C . 27082 1 407 . 1 1 107 107 GLY H H 1 7.054 0.003 . . . . . . . 561 GLY HN . 27082 1 408 . 1 1 107 107 GLY C C 13 172.231 0.000 . . . . . . . 561 GLY C . 27082 1 409 . 1 1 107 107 GLY N N 15 105.559 0.036 . . . . . . . 561 GLY N . 27082 1 410 . 1 1 108 108 ASN H H 1 8.181 0.019 . . . . . . . 562 ASN HN . 27082 1 411 . 1 1 108 108 ASN C C 13 175.238 0.000 . . . . . . . 562 ASN C . 27082 1 412 . 1 1 108 108 ASN CB C 13 40.172 0.000 . . . . . . . 562 ASN CB . 27082 1 413 . 1 1 108 108 ASN N N 15 116.870 0.058 . . . . . . . 562 ASN N . 27082 1 414 . 1 1 119 119 PRO C C 13 177.159 0.000 . . . . . . . 573 PRO C . 27082 1 415 . 1 1 119 119 PRO CA C 13 62.638 0.000 . . . . . . . 573 PRO CA . 27082 1 416 . 1 1 119 119 PRO CB C 13 31.466 0.000 . . . . . . . 573 PRO CB . 27082 1 417 . 1 1 120 120 GLY H H 1 8.133 0.010 . . . . . . . 574 GLY HN . 27082 1 418 . 1 1 120 120 GLY C C 13 174.107 0.000 . . . . . . . 574 GLY C . 27082 1 419 . 1 1 120 120 GLY CA C 13 44.436 0.000 . . . . . . . 574 GLY CA . 27082 1 420 . 1 1 120 120 GLY N N 15 108.570 0.104 . . . . . . . 574 GLY N . 27082 1 421 . 1 1 121 121 LEU H H 1 8.171 0.003 . . . . . . . 575 LEU HN . 27082 1 422 . 1 1 121 121 LEU C C 13 177.090 0.000 . . . . . . . 575 LEU C . 27082 1 423 . 1 1 121 121 LEU CA C 13 55.475 0.000 . . . . . . . 575 LEU CA . 27082 1 424 . 1 1 121 121 LEU CB C 13 40.684 0.000 . . . . . . . 575 LEU CB . 27082 1 425 . 1 1 121 121 LEU N N 15 121.479 0.098 . . . . . . . 575 LEU N . 27082 1 426 . 1 1 122 122 ASP H H 1 8.265 0.005 . . . . . . . 576 ASP HN . 27082 1 427 . 1 1 122 122 ASP C C 13 175.488 0.000 . . . . . . . 576 ASP C . 27082 1 428 . 1 1 122 122 ASP CA C 13 53.657 0.000 . . . . . . . 576 ASP CA . 27082 1 429 . 1 1 122 122 ASP CB C 13 39.934 0.000 . . . . . . . 576 ASP CB . 27082 1 430 . 1 1 122 122 ASP N N 15 118.729 0.028 . . . . . . . 576 ASP N . 27082 1 431 . 1 1 123 123 TYR H H 1 7.774 0.005 . . . . . . . 577 TYR HN . 27082 1 432 . 1 1 123 123 TYR C C 13 175.288 0.000 . . . . . . . 577 TYR C . 27082 1 433 . 1 1 123 123 TYR CB C 13 37.927 0.000 . . . . . . . 577 TYR CB . 27082 1 434 . 1 1 123 123 TYR N N 15 121.028 0.039 . . . . . . . 577 TYR N . 27082 1 435 . 1 1 124 124 SER H H 1 7.934 0.002 . . . . . . . 578 SER HN . 27082 1 436 . 1 1 124 124 SER C C 13 173.678 0.000 . . . . . . . 578 SER C . 27082 1 437 . 1 1 124 124 SER CB C 13 63.238 0.009 . . . . . . . 578 SER CB . 27082 1 438 . 1 1 124 124 SER N N 15 118.264 0.112 . . . . . . . 578 SER N . 27082 1 439 . 1 1 125 125 PHE H H 1 7.975 0.005 . . . . . . . 579 PHE HN . 27082 1 440 . 1 1 125 125 PHE CB C 13 38.655 0.000 . . . . . . . 579 PHE CB . 27082 1 441 . 1 1 125 125 PHE N N 15 122.634 0.096 . . . . . . . 579 PHE N . 27082 1 442 . 1 1 131 131 PRO C C 13 176.983 0.000 . . . . . . . 585 PRO C . 27082 1 443 . 1 1 131 131 PRO CB C 13 31.081 0.000 . . . . . . . 585 PRO CB . 27082 1 444 . 1 1 132 132 GLU H H 1 8.422 0.002 . . . . . . . 586 GLU HN . 27082 1 445 . 1 1 132 132 GLU C C 13 176.191 0.000 . . . . . . . 586 GLU C . 27082 1 446 . 1 1 132 132 GLU CB C 13 29.542 0.044 . . . . . . . 586 GLU CB . 27082 1 447 . 1 1 132 132 GLU N N 15 120.818 0.016 . . . . . . . 586 GLU N . 27082 1 448 . 1 1 133 133 GLU H H 1 8.048 0.016 . . . . . . . 587 GLU HN . 27082 1 449 . 1 1 133 133 GLU CB C 13 29.716 0.000 . . . . . . . 587 GLU CB . 27082 1 450 . 1 1 133 133 GLU N N 15 119.659 0.058 . . . . . . . 587 GLU N . 27082 1 451 . 1 1 134 134 GLN C C 13 176.101 0.000 . . . . . . . 588 GLN C . 27082 1 452 . 1 1 134 134 GLN CB C 13 29.688 0.000 . . . . . . . 588 GLN CB . 27082 1 453 . 1 1 135 135 LEU H H 1 8.527 0.005 . . . . . . . 589 LEU HN . 27082 1 454 . 1 1 135 135 LEU C C 13 176.101 0.000 . . . . . . . 589 LEU C . 27082 1 455 . 1 1 135 135 LEU CB C 13 42.784 0.000 . . . . . . . 589 LEU CB . 27082 1 456 . 1 1 135 135 LEU N N 15 123.564 0.023 . . . . . . . 589 LEU N . 27082 1 457 . 1 1 136 136 THR H H 1 8.998 0.012 . . . . . . . 590 THR HN . 27082 1 458 . 1 1 136 136 THR C C 13 175.233 0.000 . . . . . . . 590 THR C . 27082 1 459 . 1 1 136 136 THR CB C 13 72.128 0.000 . . . . . . . 590 THR CB . 27082 1 460 . 1 1 136 136 THR N N 15 112.326 0.018 . . . . . . . 590 THR N . 27082 1 461 . 1 1 137 137 PHE H H 1 9.440 0.002 . . . . . . . 591 PHE HN . 27082 1 462 . 1 1 137 137 PHE C C 13 176.689 0.000 . . . . . . . 591 PHE C . 27082 1 463 . 1 1 137 137 PHE N N 15 121.987 0.004 . . . . . . . 591 PHE N . 27082 1 464 . 1 1 138 138 LYS H H 1 8.131 0.003 . . . . . . . 592 LYS HN . 27082 1 465 . 1 1 138 138 LYS CB C 13 30.948 0.000 . . . . . . . 592 LYS CB . 27082 1 466 . 1 1 138 138 LYS N N 15 117.350 0.060 . . . . . . . 592 LYS N . 27082 1 467 . 1 1 139 139 ASP H H 1 7.492 0.000 . . . . . . . 593 ASP HN . 27082 1 468 . 1 1 139 139 ASP C C 13 178.914 0.000 . . . . . . . 593 ASP C . 27082 1 469 . 1 1 139 139 ASP N N 15 118.782 0.000 . . . . . . . 593 ASP N . 27082 1 470 . 1 1 140 140 LEU H H 1 7.434 0.000 . . . . . . . 594 LEU HN . 27082 1 471 . 1 1 140 140 LEU C C 13 178.409 0.000 . . . . . . . 594 LEU C . 27082 1 472 . 1 1 140 140 LEU N N 15 119.601 0.000 . . . . . . . 594 LEU N . 27082 1 473 . 1 1 141 141 VAL H H 1 7.613 0.002 . . . . . . . 595 VAL HN . 27082 1 474 . 1 1 141 141 VAL CB C 13 30.001 0.000 . . . . . . . 595 VAL CB . 27082 1 475 . 1 1 141 141 VAL N N 15 118.581 0.051 . . . . . . . 595 VAL N . 27082 1 476 . 1 1 155 155 ALA H H 1 9.172 0.000 . . . . . . . 609 ALA HN . 27082 1 477 . 1 1 155 155 ALA C C 13 181.461 0.000 . . . . . . . 609 ALA C . 27082 1 478 . 1 1 155 155 ALA CB C 13 15.564 0.000 . . . . . . . 609 ALA CB . 27082 1 479 . 1 1 155 155 ALA N N 15 122.314 0.000 . . . . . . . 609 ALA N . 27082 1 480 . 1 1 156 156 SER H H 1 7.839 0.002 . . . . . . . 610 SER HN . 27082 1 481 . 1 1 156 156 SER C C 13 174.810 0.000 . . . . . . . 610 SER C . 27082 1 482 . 1 1 156 156 SER CB C 13 61.907 0.066 . . . . . . . 610 SER CB . 27082 1 483 . 1 1 156 156 SER N N 15 117.779 0.035 . . . . . . . 610 SER N . 27082 1 484 . 1 1 157 157 GLN H H 1 7.071 0.004 . . . . . . . 611 GLN HN . 27082 1 485 . 1 1 157 157 GLN C C 13 174.348 0.000 . . . . . . . 611 GLN C . 27082 1 486 . 1 1 157 157 GLN CB C 13 27.221 0.000 . . . . . . . 611 GLN CB . 27082 1 487 . 1 1 157 157 GLN N N 15 120.315 0.066 . . . . . . . 611 GLN N . 27082 1 488 . 1 1 158 158 LYS H H 1 7.838 0.002 . . . . . . . 612 LYS HN . 27082 1 489 . 1 1 158 158 LYS C C 13 175.247 0.000 . . . . . . . 612 LYS C . 27082 1 490 . 1 1 158 158 LYS CB C 13 27.290 0.000 . . . . . . . 612 LYS CB . 27082 1 491 . 1 1 158 158 LYS N N 15 113.036 0.075 . . . . . . . 612 LYS N . 27082 1 492 . 1 1 159 159 CYS H H 1 8.168 0.000 . . . . . . . 613 CYS HN . 27082 1 493 . 1 1 159 159 CYS C C 13 172.927 0.000 . . . . . . . 613 CYS C . 27082 1 494 . 1 1 159 159 CYS N N 15 120.608 0.000 . . . . . . . 613 CYS N . 27082 1 495 . 1 1 160 160 ILE H H 1 8.267 0.000 . . . . . . . 614 ILE HN . 27082 1 496 . 1 1 160 160 ILE C C 13 175.598 0.000 . . . . . . . 614 ILE C . 27082 1 497 . 1 1 160 160 ILE CB C 13 38.111 0.000 . . . . . . . 614 ILE CB . 27082 1 498 . 1 1 160 160 ILE N N 15 131.905 0.000 . . . . . . . 614 ILE N . 27082 1 499 . 1 1 161 161 HIS H H 1 11.490 0.000 . . . . . . . 615 HIS HN . 27082 1 500 . 1 1 161 161 HIS N N 15 106.818 0.000 . . . . . . . 615 HIS N . 27082 1 501 . 1 1 163 163 ASP C C 13 173.726 0.000 . . . . . . . 617 ASP C . 27082 1 502 . 1 1 164 164 LEU H H 1 9.264 0.011 . . . . . . . 618 LEU HN . 27082 1 503 . 1 1 164 164 LEU CB C 13 40.128 0.000 . . . . . . . 618 LEU CB . 27082 1 504 . 1 1 164 164 LEU N N 15 126.008 0.043 . . . . . . . 618 LEU N . 27082 1 505 . 1 1 165 165 ALA H H 1 6.297 0.000 . . . . . . . 619 ALA HN . 27082 1 506 . 1 1 165 165 ALA C C 13 177.466 0.000 . . . . . . . 619 ALA C . 27082 1 507 . 1 1 165 165 ALA N N 15 122.986 0.000 . . . . . . . 619 ALA N . 27082 1 508 . 1 1 166 166 ALA H H 1 10.532 0.000 . . . . . . . 620 ALA HN . 27082 1 509 . 1 1 166 166 ALA N N 15 127.507 0.000 . . . . . . . 620 ALA N . 27082 1 510 . 1 1 167 167 ARG H H 1 8.923 0.000 . . . . . . . 621 ARG HN . 27082 1 511 . 1 1 167 167 ARG N N 15 114.638 0.000 . . . . . . . 621 ARG N . 27082 1 512 . 1 1 172 172 THR C C 13 175.147 0.000 . . . . . . . 626 THR C . 27082 1 513 . 1 1 173 173 GLU H H 1 8.491 0.002 . . . . . . . 627 GLU HN . 27082 1 514 . 1 1 173 173 GLU C C 13 174.933 0.000 . . . . . . . 627 GLU C . 27082 1 515 . 1 1 173 173 GLU CB C 13 28.850 0.000 . . . . . . . 627 GLU CB . 27082 1 516 . 1 1 173 173 GLU N N 15 117.550 0.020 . . . . . . . 627 GLU N . 27082 1 517 . 1 1 174 174 ASP H H 1 7.760 0.013 . . . . . . . 628 ASP HN . 27082 1 518 . 1 1 174 174 ASP C C 13 173.887 0.000 . . . . . . . 628 ASP C . 27082 1 519 . 1 1 174 174 ASP CB C 13 38.953 0.000 . . . . . . . 628 ASP CB . 27082 1 520 . 1 1 174 174 ASP N N 15 114.561 0.016 . . . . . . . 628 ASP N . 27082 1 521 . 1 1 175 175 ASN H H 1 7.879 0.008 . . . . . . . 629 ASN HN . 27082 1 522 . 1 1 175 175 ASN C C 13 173.175 0.000 . . . . . . . 629 ASN C . 27082 1 523 . 1 1 175 175 ASN CB C 13 34.344 0.000 . . . . . . . 629 ASN CB . 27082 1 524 . 1 1 175 175 ASN N N 15 115.684 0.075 . . . . . . . 629 ASN N . 27082 1 525 . 1 1 176 176 VAL H H 1 7.470 0.004 . . . . . . . 630 VAL HN . 27082 1 526 . 1 1 176 176 VAL C C 13 175.998 0.000 . . . . . . . 630 VAL C . 27082 1 527 . 1 1 176 176 VAL CB C 13 30.813 0.000 . . . . . . . 630 VAL CB . 27082 1 528 . 1 1 176 176 VAL N N 15 119.763 0.111 . . . . . . . 630 VAL N . 27082 1 529 . 1 1 177 177 MET H H 1 7.580 0.003 . . . . . . . 631 MET HN . 27082 1 530 . 1 1 177 177 MET C C 13 175.955 0.000 . . . . . . . 631 MET C . 27082 1 531 . 1 1 177 177 MET CB C 13 31.937 0.000 . . . . . . . 631 MET CB . 27082 1 532 . 1 1 177 177 MET N N 15 123.057 0.117 . . . . . . . 631 MET N . 27082 1 533 . 1 1 178 178 LYS H H 1 9.242 0.008 . . . . . . . 632 LYS HN . 27082 1 534 . 1 1 178 178 LYS C C 13 174.680 0.000 . . . . . . . 632 LYS C . 27082 1 535 . 1 1 178 178 LYS N N 15 121.771 0.078 . . . . . . . 632 LYS N . 27082 1 536 . 1 1 179 179 ILE H H 1 8.600 0.006 . . . . . . . 633 ILE HN . 27082 1 537 . 1 1 179 179 ILE C C 13 173.451 0.000 . . . . . . . 633 ILE C . 27082 1 538 . 1 1 179 179 ILE CB C 13 35.787 0.000 . . . . . . . 633 ILE CB . 27082 1 539 . 1 1 179 179 ILE N N 15 126.128 0.183 . . . . . . . 633 ILE N . 27082 1 540 . 1 1 180 180 ALA H H 1 8.744 0.003 . . . . . . . 634 ALA HN . 27082 1 541 . 1 1 180 180 ALA C C 13 176.723 0.000 . . . . . . . 634 ALA C . 27082 1 542 . 1 1 180 180 ALA CB C 13 21.705 0.000 . . . . . . . 634 ALA CB . 27082 1 543 . 1 1 180 180 ALA N N 15 129.696 0.116 . . . . . . . 634 ALA N . 27082 1 544 . 1 1 181 181 ASP H H 1 8.871 0.008 . . . . . . . 635 ASP HN . 27082 1 545 . 1 1 181 181 ASP C C 13 174.579 0.000 . . . . . . . 635 ASP C . 27082 1 546 . 1 1 181 181 ASP CB C 13 37.055 0.000 . . . . . . . 635 ASP CB . 27082 1 547 . 1 1 181 181 ASP N N 15 115.465 0.085 . . . . . . . 635 ASP N . 27082 1 548 . 1 1 182 182 PHE H H 1 6.632 0.006 . . . . . . . 636 PHE HN . 27082 1 549 . 1 1 182 182 PHE C C 13 174.573 0.000 . . . . . . . 636 PHE C . 27082 1 550 . 1 1 182 182 PHE CB C 13 39.169 0.000 . . . . . . . 636 PHE CB . 27082 1 551 . 1 1 182 182 PHE N N 15 112.698 0.067 . . . . . . . 636 PHE N . 27082 1 552 . 1 1 183 183 GLY C C 13 172.363 0.000 . . . . . . . 637 GLY C . 27082 1 553 . 1 1 183 183 GLY N N 15 109.797 0.000 . . . . . . . 637 GLY N . 27082 1 554 . 1 1 184 184 LEU H H 1 6.539 0.003 . . . . . . . 638 LEU HN . 27082 1 555 . 1 1 184 184 LEU C C 13 176.148 0.000 . . . . . . . 638 LEU C . 27082 1 556 . 1 1 184 184 LEU CB C 13 41.283 0.000 . . . . . . . 638 LEU CB . 27082 1 557 . 1 1 184 184 LEU N N 15 118.883 0.028 . . . . . . . 638 LEU N . 27082 1 558 . 1 1 185 185 ALA H H 1 8.265 0.004 . . . . . . . 639 ALA HN . 27082 1 559 . 1 1 185 185 ALA CB C 13 17.503 0.000 . . . . . . . 639 ALA CB . 27082 1 560 . 1 1 185 185 ALA N N 15 126.492 0.081 . . . . . . . 639 ALA N . 27082 1 561 . 1 1 206 206 TRP C C 13 175.005 0.000 . . . . . . . 660 TRP C . 27082 1 562 . 1 1 207 207 MET H H 1 7.339 0.003 . . . . . . . 661 MET HN . 27082 1 563 . 1 1 207 207 MET C C 13 174.047 0.000 . . . . . . . 661 MET C . 27082 1 564 . 1 1 207 207 MET CB C 13 34.648 0.000 . . . . . . . 661 MET CB . 27082 1 565 . 1 1 207 207 MET N N 15 121.324 0.075 . . . . . . . 661 MET N . 27082 1 566 . 1 1 208 208 ALA H H 1 7.980 0.008 . . . . . . . 662 ALA HN . 27082 1 567 . 1 1 208 208 ALA CB C 13 17.547 0.000 . . . . . . . 662 ALA CB . 27082 1 568 . 1 1 208 208 ALA N N 15 125.074 0.155 . . . . . . . 662 ALA N . 27082 1 569 . 1 1 209 209 PRO C C 13 176.580 0.000 . . . . . . . 663 PRO C . 27082 1 570 . 1 1 209 209 PRO CB C 13 30.141 0.000 . . . . . . . 663 PRO CB . 27082 1 571 . 1 1 210 210 GLU H H 1 9.233 0.003 . . . . . . . 664 GLU HN . 27082 1 572 . 1 1 210 210 GLU C C 13 177.538 0.000 . . . . . . . 664 GLU C . 27082 1 573 . 1 1 210 210 GLU CB C 13 25.442 0.000 . . . . . . . 664 GLU CB . 27082 1 574 . 1 1 210 210 GLU N N 15 114.927 0.031 . . . . . . . 664 GLU N . 27082 1 575 . 1 1 211 211 ALA H H 1 6.785 0.000 . . . . . . . 665 ALA HN . 27082 1 576 . 1 1 211 211 ALA C C 13 178.415 0.000 . . . . . . . 665 ALA C . 27082 1 577 . 1 1 211 211 ALA N N 15 126.510 0.000 . . . . . . . 665 ALA N . 27082 1 578 . 1 1 212 212 LEU H H 1 7.184 0.003 . . . . . . . 666 LEU HN . 27082 1 579 . 1 1 212 212 LEU C C 13 177.833 0.000 . . . . . . . 666 LEU C . 27082 1 580 . 1 1 212 212 LEU N N 15 119.409 0.033 . . . . . . . 666 LEU N . 27082 1 581 . 1 1 213 213 PHE H H 1 8.244 0.005 . . . . . . . 667 PHE HN . 27082 1 582 . 1 1 213 213 PHE C C 13 177.128 0.000 . . . . . . . 667 PHE C . 27082 1 583 . 1 1 213 213 PHE N N 15 114.727 0.066 . . . . . . . 667 PHE N . 27082 1 584 . 1 1 214 214 ASP H H 1 7.225 0.001 . . . . . . . 668 ASP HN . 27082 1 585 . 1 1 214 214 ASP C C 13 175.184 0.000 . . . . . . . 668 ASP C . 27082 1 586 . 1 1 214 214 ASP N N 15 115.762 0.072 . . . . . . . 668 ASP N . 27082 1 587 . 1 1 215 215 ARG H H 1 7.139 0.002 . . . . . . . 669 ARG HN . 27082 1 588 . 1 1 215 215 ARG C C 13 174.361 0.000 . . . . . . . 669 ARG C . 27082 1 589 . 1 1 215 215 ARG N N 15 114.602 0.026 . . . . . . . 669 ARG N . 27082 1 590 . 1 1 216 216 VAL H H 1 7.234 0.002 . . . . . . . 670 VAL HN . 27082 1 591 . 1 1 216 216 VAL C C 13 173.275 0.000 . . . . . . . 670 VAL C . 27082 1 592 . 1 1 216 216 VAL N N 15 119.756 0.045 . . . . . . . 670 VAL N . 27082 1 593 . 1 1 217 217 TYR H H 1 7.945 0.004 . . . . . . . 671 TYR HN . 27082 1 594 . 1 1 217 217 TYR C C 13 175.870 0.000 . . . . . . . 671 TYR C . 27082 1 595 . 1 1 217 217 TYR CB C 13 39.650 0.000 . . . . . . . 671 TYR CB . 27082 1 596 . 1 1 217 217 TYR N N 15 123.649 0.124 . . . . . . . 671 TYR N . 27082 1 597 . 1 1 218 218 THR H H 1 9.490 0.016 . . . . . . . 672 THR HN . 27082 1 598 . 1 1 218 218 THR C C 13 175.870 0.000 . . . . . . . 672 THR C . 27082 1 599 . 1 1 218 218 THR CB C 13 73.664 0.000 . . . . . . . 672 THR CB . 27082 1 600 . 1 1 218 218 THR N N 15 113.696 0.065 . . . . . . . 672 THR N . 27082 1 601 . 1 1 219 219 HIS H H 1 7.657 0.000 . . . . . . . 673 HIS HN . 27082 1 602 . 1 1 219 219 HIS N N 15 114.591 0.000 . . . . . . . 673 HIS N . 27082 1 603 . 1 1 221 221 SER C C 13 178.347 0.000 . . . . . . . 675 SER C . 27082 1 604 . 1 1 222 222 ASP H H 1 7.681 0.009 . . . . . . . 676 ASP HN . 27082 1 605 . 1 1 222 222 ASP C C 13 178.720 0.000 . . . . . . . 676 ASP C . 27082 1 606 . 1 1 222 222 ASP CB C 13 39.672 0.000 . . . . . . . 676 ASP CB . 27082 1 607 . 1 1 222 222 ASP N N 15 126.086 0.124 . . . . . . . 676 ASP N . 27082 1 608 . 1 1 223 223 VAL H H 1 7.731 0.007 . . . . . . . 677 VAL HN . 27082 1 609 . 1 1 223 223 VAL C C 13 176.168 0.000 . . . . . . . 677 VAL C . 27082 1 610 . 1 1 223 223 VAL CB C 13 30.385 0.000 . . . . . . . 677 VAL CB . 27082 1 611 . 1 1 223 223 VAL N N 15 123.168 0.071 . . . . . . . 677 VAL N . 27082 1 612 . 1 1 224 224 TRP H H 1 7.126 0.000 . . . . . . . 678 TRP HN . 27082 1 613 . 1 1 224 224 TRP C C 13 176.988 0.000 . . . . . . . 678 TRP C . 27082 1 614 . 1 1 224 224 TRP N N 15 121.285 0.000 . . . . . . . 678 TRP N . 27082 1 615 . 1 1 225 225 SER H H 1 8.379 0.013 . . . . . . . 679 SER HN . 27082 1 616 . 1 1 225 225 SER CB C 13 63.515 0.000 . . . . . . . 679 SER CB . 27082 1 617 . 1 1 225 225 SER N N 15 116.210 0.026 . . . . . . . 679 SER N . 27082 1 618 . 1 1 226 226 PHE H H 1 9.268 0.007 . . . . . . . 680 PHE HN . 27082 1 619 . 1 1 226 226 PHE N N 15 123.279 0.104 . . . . . . . 680 PHE N . 27082 1 620 . 1 1 227 227 GLY H H 1 8.426 0.019 . . . . . . . 681 GLY HN . 27082 1 621 . 1 1 227 227 GLY N N 15 108.079 0.015 . . . . . . . 681 GLY N . 27082 1 622 . 1 1 230 230 LEU H H 1 8.788 0.001 . . . . . . . 684 LEU HN . 27082 1 623 . 1 1 230 230 LEU N N 15 120.751 0.041 . . . . . . . 684 LEU N . 27082 1 624 . 1 1 236 236 LEU C C 13 175.734 0.000 . . . . . . . 690 LEU C . 27082 1 625 . 1 1 237 237 GLY H H 1 9.285 0.004 . . . . . . . 691 GLY HN . 27082 1 626 . 1 1 237 237 GLY C C 13 175.405 0.000 . . . . . . . 691 GLY C . 27082 1 627 . 1 1 237 237 GLY CA C 13 45.255 0.000 . . . . . . . 691 GLY CA . 27082 1 628 . 1 1 237 237 GLY N N 15 105.045 0.011 . . . . . . . 691 GLY N . 27082 1 629 . 1 1 238 238 GLY H H 1 7.803 0.002 . . . . . . . 692 GLY HN . 27082 1 630 . 1 1 238 238 GLY C C 13 173.454 0.000 . . . . . . . 692 GLY C . 27082 1 631 . 1 1 238 238 GLY N N 15 110.106 0.017 . . . . . . . 692 GLY N . 27082 1 632 . 1 1 239 239 SER H H 1 8.480 0.003 . . . . . . . 693 SER HN . 27082 1 633 . 1 1 239 239 SER CB C 13 62.814 0.000 . . . . . . . 693 SER CB . 27082 1 634 . 1 1 239 239 SER N N 15 117.947 0.074 . . . . . . . 693 SER N . 27082 1 635 . 1 1 240 240 PRO C C 13 174.524 0.000 . . . . . . . 694 PRO C . 27082 1 636 . 1 1 240 240 PRO CB C 13 32.025 0.000 . . . . . . . 694 PRO CB . 27082 1 637 . 1 1 241 241 TYR H H 1 7.011 0.019 . . . . . . . 695 TYR HN . 27082 1 638 . 1 1 241 241 TYR CB C 13 35.905 0.000 . . . . . . . 695 TYR CB . 27082 1 639 . 1 1 241 241 TYR N N 15 115.412 0.040 . . . . . . . 695 TYR N . 27082 1 640 . 1 1 242 242 PRO C C 13 175.964 0.000 . . . . . . . 696 PRO C . 27082 1 641 . 1 1 243 243 GLY H H 1 9.425 0.010 . . . . . . . 697 GLY HN . 27082 1 642 . 1 1 243 243 GLY C C 13 173.898 0.000 . . . . . . . 697 GLY C . 27082 1 643 . 1 1 243 243 GLY N N 15 105.900 0.045 . . . . . . . 697 GLY N . 27082 1 644 . 1 1 244 244 ILE H H 1 7.226 0.011 . . . . . . . 698 ILE HN . 27082 1 645 . 1 1 244 244 ILE CB C 13 37.301 0.000 . . . . . . . 698 ILE CB . 27082 1 646 . 1 1 244 244 ILE N N 15 121.748 0.007 . . . . . . . 698 ILE N . 27082 1 647 . 1 1 245 245 PRO C C 13 178.252 0.000 . . . . . . . 699 PRO C . 27082 1 648 . 1 1 245 245 PRO CA C 13 61.863 0.000 . . . . . . . 699 PRO CA . 27082 1 649 . 1 1 245 245 PRO CB C 13 31.708 0.000 . . . . . . . 699 PRO CB . 27082 1 650 . 1 1 246 246 VAL H H 1 8.564 0.004 . . . . . . . 700 VAL HN . 27082 1 651 . 1 1 246 246 VAL C C 13 176.324 0.000 . . . . . . . 700 VAL C . 27082 1 652 . 1 1 246 246 VAL CA C 13 66.176 0.000 . . . . . . . 700 VAL CA . 27082 1 653 . 1 1 246 246 VAL CB C 13 30.465 0.000 . . . . . . . 700 VAL CB . 27082 1 654 . 1 1 246 246 VAL N N 15 122.743 0.090 . . . . . . . 700 VAL N . 27082 1 655 . 1 1 247 247 GLU H H 1 9.109 0.009 . . . . . . . 701 GLU HN . 27082 1 656 . 1 1 247 247 GLU C C 13 178.343 0.000 . . . . . . . 701 GLU C . 27082 1 657 . 1 1 247 247 GLU CA C 13 59.093 0.000 . . . . . . . 701 GLU CA . 27082 1 658 . 1 1 247 247 GLU CB C 13 27.689 0.000 . . . . . . . 701 GLU CB . 27082 1 659 . 1 1 247 247 GLU N N 15 117.378 0.059 . . . . . . . 701 GLU N . 27082 1 660 . 1 1 248 248 GLU H H 1 7.185 0.006 . . . . . . . 702 GLU HN . 27082 1 661 . 1 1 248 248 GLU C C 13 177.010 0.000 . . . . . . . 702 GLU C . 27082 1 662 . 1 1 248 248 GLU CA C 13 56.359 0.000 . . . . . . . 702 GLU CA . 27082 1 663 . 1 1 248 248 GLU CB C 13 29.362 0.000 . . . . . . . 702 GLU CB . 27082 1 664 . 1 1 248 248 GLU N N 15 117.720 0.118 . . . . . . . 702 GLU N . 27082 1 665 . 1 1 249 249 LEU H H 1 7.499 0.008 . . . . . . . 703 LEU HN . 27082 1 666 . 1 1 249 249 LEU C C 13 173.885 0.000 . . . . . . . 703 LEU C . 27082 1 667 . 1 1 249 249 LEU CA C 13 57.754 0.000 . . . . . . . 703 LEU CA . 27082 1 668 . 1 1 249 249 LEU N N 15 121.058 0.053 . . . . . . . 703 LEU N . 27082 1 669 . 1 1 250 250 PHE H H 1 7.895 0.008 . . . . . . . 704 PHE HN . 27082 1 670 . 1 1 250 250 PHE C C 13 178.452 0.000 . . . . . . . 704 PHE C . 27082 1 671 . 1 1 250 250 PHE CB C 13 34.316 0.000 . . . . . . . 704 PHE CB . 27082 1 672 . 1 1 250 250 PHE N N 15 115.644 0.128 . . . . . . . 704 PHE N . 27082 1 673 . 1 1 251 251 LYS H H 1 7.382 0.002 . . . . . . . 705 LYS HN . 27082 1 674 . 1 1 251 251 LYS C C 13 178.511 0.000 . . . . . . . 705 LYS C . 27082 1 675 . 1 1 251 251 LYS CB C 13 31.241 0.000 . . . . . . . 705 LYS CB . 27082 1 676 . 1 1 251 251 LYS N N 15 119.709 0.000 . . . . . . . 705 LYS N . 27082 1 677 . 1 1 252 252 LEU H H 1 7.810 0.004 . . . . . . . 706 LEU HN . 27082 1 678 . 1 1 252 252 LEU C C 13 180.086 0.000 . . . . . . . 706 LEU C . 27082 1 679 . 1 1 252 252 LEU N N 15 119.470 0.006 . . . . . . . 706 LEU N . 27082 1 680 . 1 1 253 253 LEU H H 1 8.618 0.002 . . . . . . . 707 LEU HN . 27082 1 681 . 1 1 253 253 LEU C C 13 182.219 0.000 . . . . . . . 707 LEU C . 27082 1 682 . 1 1 253 253 LEU CB C 13 41.494 0.000 . . . . . . . 707 LEU CB . 27082 1 683 . 1 1 253 253 LEU N N 15 118.945 0.069 . . . . . . . 707 LEU N . 27082 1 684 . 1 1 254 254 LYS H H 1 7.920 0.008 . . . . . . . 708 LYS HN . 27082 1 685 . 1 1 254 254 LYS C C 13 177.893 0.000 . . . . . . . 708 LYS C . 27082 1 686 . 1 1 254 254 LYS CB C 13 31.186 0.000 . . . . . . . 708 LYS CB . 27082 1 687 . 1 1 254 254 LYS N N 15 122.043 0.154 . . . . . . . 708 LYS N . 27082 1 688 . 1 1 255 255 GLU H H 1 7.556 0.001 . . . . . . . 709 GLU HN . 27082 1 689 . 1 1 255 255 GLU C C 13 176.480 0.000 . . . . . . . 709 GLU C . 27082 1 690 . 1 1 255 255 GLU CB C 13 28.744 0.000 . . . . . . . 709 GLU CB . 27082 1 691 . 1 1 255 255 GLU N N 15 117.253 0.062 . . . . . . . 709 GLU N . 27082 1 692 . 1 1 256 256 GLY H H 1 7.536 0.001 . . . . . . . 710 GLY HN . 27082 1 693 . 1 1 256 256 GLY C C 13 175.708 0.000 . . . . . . . 710 GLY C . 27082 1 694 . 1 1 256 256 GLY CA C 13 44.564 0.000 . . . . . . . 710 GLY CA . 27082 1 695 . 1 1 256 256 GLY N N 15 105.588 0.007 . . . . . . . 710 GLY N . 27082 1 696 . 1 1 257 257 HIS H H 1 8.114 0.006 . . . . . . . 711 HIS HN . 27082 1 697 . 1 1 257 257 HIS C C 13 175.019 0.000 . . . . . . . 711 HIS C . 27082 1 698 . 1 1 257 257 HIS CB C 13 31.572 0.000 . . . . . . . 711 HIS CB . 27082 1 699 . 1 1 257 257 HIS N N 15 122.685 0.123 . . . . . . . 711 HIS N . 27082 1 700 . 1 1 258 258 ARG H H 1 7.410 0.006 . . . . . . . 712 ARG HN . 27082 1 701 . 1 1 258 258 ARG C C 13 174.643 0.000 . . . . . . . 712 ARG C . 27082 1 702 . 1 1 258 258 ARG CB C 13 33.110 0.000 . . . . . . . 712 ARG CB . 27082 1 703 . 1 1 258 258 ARG N N 15 123.353 0.067 . . . . . . . 712 ARG N . 27082 1 704 . 1 1 259 259 MET H H 1 7.227 0.000 . . . . . . . 713 MET HN . 27082 1 705 . 1 1 259 259 MET C C 13 175.584 0.000 . . . . . . . 713 MET C . 27082 1 706 . 1 1 259 259 MET N N 15 118.386 0.000 . . . . . . . 713 MET N . 27082 1 707 . 1 1 260 260 ASP H H 1 8.414 0.003 . . . . . . . 714 ASP HN . 27082 1 708 . 1 1 260 260 ASP C C 13 174.769 0.000 . . . . . . . 714 ASP C . 27082 1 709 . 1 1 260 260 ASP CB C 13 41.705 0.000 . . . . . . . 714 ASP CB . 27082 1 710 . 1 1 260 260 ASP N N 15 120.517 0.003 . . . . . . . 714 ASP N . 27082 1 711 . 1 1 261 261 LYS H H 1 8.058 0.006 . . . . . . . 715 LYS HN . 27082 1 712 . 1 1 261 261 LYS CB C 13 31.032 0.000 . . . . . . . 715 LYS CB . 27082 1 713 . 1 1 261 261 LYS N N 15 122.541 0.067 . . . . . . . 715 LYS N . 27082 1 714 . 1 1 263 263 ALA C C 13 178.769 0.000 . . . . . . . 717 ALA C . 27082 1 715 . 1 1 264 264 ASN H H 1 8.398 0.002 . . . . . . . 718 ASN HN . 27082 1 716 . 1 1 264 264 ASN C C 13 171.753 0.000 . . . . . . . 718 ASN C . 27082 1 717 . 1 1 264 264 ASN N N 15 112.223 0.037 . . . . . . . 718 ASN N . 27082 1 718 . 1 1 265 265 CYS H H 1 7.273 0.005 . . . . . . . 719 CYS HN . 27082 1 719 . 1 1 265 265 CYS C C 13 172.878 0.000 . . . . . . . 719 CYS C . 27082 1 720 . 1 1 265 265 CYS CB C 13 29.341 0.000 . . . . . . . 719 CYS CB . 27082 1 721 . 1 1 265 265 CYS N N 15 115.085 0.123 . . . . . . . 719 CYS N . 27082 1 722 . 1 1 266 266 THR H H 1 6.356 0.006 . . . . . . . 720 THR HN . 27082 1 723 . 1 1 266 266 THR C C 13 176.985 0.000 . . . . . . . 720 THR C . 27082 1 724 . 1 1 266 266 THR CB C 13 70.112 0.000 . . . . . . . 720 THR CB . 27082 1 725 . 1 1 266 266 THR N N 15 115.214 0.088 . . . . . . . 720 THR N . 27082 1 726 . 1 1 267 267 HIS H H 1 7.141 0.006 . . . . . . . 721 HIS HN . 27082 1 727 . 1 1 267 267 HIS C C 13 176.257 0.000 . . . . . . . 721 HIS C . 27082 1 728 . 1 1 267 267 HIS N N 15 119.353 0.039 . . . . . . . 721 HIS N . 27082 1 729 . 1 1 268 268 ASP H H 1 8.142 0.010 . . . . . . . 722 ASP HN . 27082 1 730 . 1 1 268 268 ASP N N 15 120.152 0.137 . . . . . . . 722 ASP N . 27082 1 731 . 1 1 277 277 TRP H H 1 6.570 0.000 . . . . . . . 731 TRP HN . 27082 1 732 . 1 1 277 277 TRP N N 15 111.857 0.000 . . . . . . . 731 TRP N . 27082 1 733 . 1 1 281 281 PRO C C 13 178.348 0.000 . . . . . . . 735 PRO C . 27082 1 734 . 1 1 281 281 PRO CB C 13 31.705 0.000 . . . . . . . 735 PRO CB . 27082 1 735 . 1 1 282 282 SER H H 1 8.032 0.006 . . . . . . . 736 SER HN . 27082 1 736 . 1 1 282 282 SER C C 13 175.032 0.000 . . . . . . . 736 SER C . 27082 1 737 . 1 1 282 282 SER CB C 13 62.114 0.000 . . . . . . . 736 SER CB . 27082 1 738 . 1 1 282 282 SER N N 15 108.513 0.017 . . . . . . . 736 SER N . 27082 1 739 . 1 1 283 283 GLN H H 1 7.675 0.003 . . . . . . . 737 GLN HN . 27082 1 740 . 1 1 283 283 GLN C C 13 175.972 0.000 . . . . . . . 737 GLN C . 27082 1 741 . 1 1 283 283 GLN CB C 13 28.188 0.000 . . . . . . . 737 GLN CB . 27082 1 742 . 1 1 283 283 GLN N N 15 119.816 0.037 . . . . . . . 737 GLN N . 27082 1 743 . 1 1 284 284 ARG H H 1 7.002 0.000 . . . . . . . 738 ARG HN . 27082 1 744 . 1 1 284 284 ARG CB C 13 28.755 0.000 . . . . . . . 738 ARG CB . 27082 1 745 . 1 1 284 284 ARG N N 15 120.363 0.020 . . . . . . . 738 ARG N . 27082 1 746 . 1 1 285 285 PRO C C 13 175.219 0.000 . . . . . . . 739 PRO C . 27082 1 747 . 1 1 285 285 PRO CA C 13 61.716 0.000 . . . . . . . 739 PRO CA . 27082 1 748 . 1 1 286 286 THR H H 1 7.451 0.004 . . . . . . . 740 THR HN . 27082 1 749 . 1 1 286 286 THR C C 13 176.546 0.000 . . . . . . . 740 THR C . 27082 1 750 . 1 1 286 286 THR CA C 13 59.369 0.000 . . . . . . . 740 THR CA . 27082 1 751 . 1 1 286 286 THR CB C 13 70.923 0.000 . . . . . . . 740 THR CB . 27082 1 752 . 1 1 286 286 THR N N 15 106.803 0.044 . . . . . . . 740 THR N . 27082 1 753 . 1 1 287 287 PHE H H 1 8.549 0.011 . . . . . . . 741 PHE HN . 27082 1 754 . 1 1 287 287 PHE C C 13 177.004 0.000 . . . . . . . 741 PHE C . 27082 1 755 . 1 1 287 287 PHE CA C 13 63.550 0.000 . . . . . . . 741 PHE CA . 27082 1 756 . 1 1 287 287 PHE CB C 13 36.652 0.000 . . . . . . . 741 PHE CB . 27082 1 757 . 1 1 287 287 PHE N N 15 117.853 0.168 . . . . . . . 741 PHE N . 27082 1 758 . 1 1 288 288 LYS H H 1 8.099 0.001 . . . . . . . 742 LYS HN . 27082 1 759 . 1 1 288 288 LYS C C 13 177.297 0.000 . . . . . . . 742 LYS C . 27082 1 760 . 1 1 288 288 LYS CA C 13 59.359 0.000 . . . . . . . 742 LYS CA . 27082 1 761 . 1 1 288 288 LYS CB C 13 31.965 0.000 . . . . . . . 742 LYS CB . 27082 1 762 . 1 1 288 288 LYS N N 15 119.197 0.108 . . . . . . . 742 LYS N . 27082 1 763 . 1 1 289 289 GLN H H 1 7.375 0.001 . . . . . . . 743 GLN HN . 27082 1 764 . 1 1 289 289 GLN CA C 13 57.883 0.000 . . . . . . . 743 GLN CA . 27082 1 765 . 1 1 289 289 GLN CB C 13 27.895 0.000 . . . . . . . 743 GLN CB . 27082 1 766 . 1 1 289 289 GLN N N 15 119.678 0.018 . . . . . . . 743 GLN N . 27082 1 767 . 1 1 295 295 ASP C C 13 178.763 0.000 . . . . . . . 749 ASP C . 27082 1 768 . 1 1 296 296 ARG H H 1 7.672 0.003 . . . . . . . 750 ARG HN . 27082 1 769 . 1 1 296 296 ARG C C 13 178.767 0.000 . . . . . . . 750 ARG C . 27082 1 770 . 1 1 296 296 ARG CB C 13 27.769 0.000 . . . . . . . 750 ARG CB . 27082 1 771 . 1 1 296 296 ARG N N 15 119.676 0.103 . . . . . . . 750 ARG N . 27082 1 772 . 1 1 297 297 VAL H H 1 7.531 0.006 . . . . . . . 751 VAL HN . 27082 1 773 . 1 1 297 297 VAL C C 13 178.726 0.000 . . . . . . . 751 VAL C . 27082 1 774 . 1 1 297 297 VAL CB C 13 30.438 0.000 . . . . . . . 751 VAL CB . 27082 1 775 . 1 1 297 297 VAL N N 15 118.822 0.086 . . . . . . . 751 VAL N . 27082 1 776 . 1 1 298 298 LEU H H 1 8.339 0.004 . . . . . . . 752 LEU HN . 27082 1 777 . 1 1 298 298 LEU C C 13 178.746 0.000 . . . . . . . 752 LEU C . 27082 1 778 . 1 1 298 298 LEU CB C 13 40.879 0.000 . . . . . . . 752 LEU CB . 27082 1 779 . 1 1 298 298 LEU N N 15 122.057 0.050 . . . . . . . 752 LEU N . 27082 1 780 . 1 1 299 299 THR H H 1 8.153 0.001 . . . . . . . 753 THR HN . 27082 1 781 . 1 1 299 299 THR C C 13 175.085 0.000 . . . . . . . 753 THR C . 27082 1 782 . 1 1 299 299 THR N N 15 113.856 0.005 . . . . . . . 753 THR N . 27082 1 783 . 1 1 300 300 VAL H H 1 7.885 0.002 . . . . . . . 754 VAL HN . 27082 1 784 . 1 1 300 300 VAL C C 13 177.302 0.000 . . . . . . . 754 VAL C . 27082 1 785 . 1 1 300 300 VAL CB C 13 31.243 0.000 . . . . . . . 754 VAL CB . 27082 1 786 . 1 1 300 300 VAL N N 15 120.101 0.069 . . . . . . . 754 VAL N . 27082 1 787 . 1 1 301 301 THR H H 1 7.946 0.004 . . . . . . . 755 THR HN . 27082 1 788 . 1 1 301 301 THR CB C 13 68.662 0.000 . . . . . . . 755 THR CB . 27082 1 789 . 1 1 301 301 THR N N 15 116.626 0.027 . . . . . . . 755 THR N . 27082 1 790 . 1 1 302 302 SER C C 13 175.008 0.000 . . . . . . . 756 SER C . 27082 1 791 . 1 1 303 303 THR H H 1 7.929 0.004 . . . . . . . 757 THR HN . 27082 1 792 . 1 1 303 303 THR C C 13 174.554 0.000 . . . . . . . 757 THR C . 27082 1 793 . 1 1 303 303 THR CB C 13 68.663 0.000 . . . . . . . 757 THR CB . 27082 1 794 . 1 1 303 303 THR N N 15 114.409 0.061 . . . . . . . 757 THR N . 27082 1 795 . 1 1 304 304 ASP H H 1 7.973 0.003 . . . . . . . 758 ASP HN . 27082 1 796 . 1 1 304 304 ASP C C 13 175.733 0.000 . . . . . . . 758 ASP C . 27082 1 797 . 1 1 304 304 ASP CB C 13 40.720 0.000 . . . . . . . 758 ASP CB . 27082 1 798 . 1 1 304 304 ASP N N 15 121.493 0.034 . . . . . . . 758 ASP N . 27082 1 799 . 1 1 305 305 GLU H H 1 7.965 0.005 . . . . . . . 759 GLU HN . 27082 1 800 . 1 1 305 305 GLU C C 13 175.745 0.000 . . . . . . . 759 GLU C . 27082 1 801 . 1 1 305 305 GLU CA C 13 55.880 0.000 . . . . . . . 759 GLU CA . 27082 1 802 . 1 1 305 305 GLU CB C 13 29.316 0.000 . . . . . . . 759 GLU CB . 27082 1 803 . 1 1 305 305 GLU N N 15 119.673 0.054 . . . . . . . 759 GLU N . 27082 1 804 . 1 1 306 306 TYR H H 1 7.737 0.009 . . . . . . . 760 TYR HN . 27082 1 805 . 1 1 306 306 TYR C C 13 175.042 0.000 . . . . . . . 760 TYR C . 27082 1 806 . 1 1 306 306 TYR CA C 13 56.762 0.000 . . . . . . . 760 TYR CA . 27082 1 807 . 1 1 306 306 TYR CB C 13 38.058 0.000 . . . . . . . 760 TYR CB . 27082 1 808 . 1 1 306 306 TYR N N 15 121.070 0.041 . . . . . . . 760 TYR N . 27082 1 809 . 1 1 307 307 LEU H H 1 7.404 0.006 . . . . . . . 761 LEU HN . 27082 1 810 . 1 1 307 307 LEU C C 13 176.140 0.000 . . . . . . . 761 LEU C . 27082 1 811 . 1 1 307 307 LEU CA C 13 54.378 0.000 . . . . . . . 761 LEU CA . 27082 1 812 . 1 1 307 307 LEU CB C 13 41.578 0.000 . . . . . . . 761 LEU CB . 27082 1 813 . 1 1 307 307 LEU N N 15 122.927 0.126 . . . . . . . 761 LEU N . 27082 1 814 . 1 1 308 308 ASP H H 1 8.236 0.002 . . . . . . . 762 ASP HN . 27082 1 815 . 1 1 308 308 ASP C C 13 175.616 0.000 . . . . . . . 762 ASP C . 27082 1 816 . 1 1 308 308 ASP CA C 13 53.704 0.000 . . . . . . . 762 ASP CA . 27082 1 817 . 1 1 308 308 ASP CB C 13 40.902 0.000 . . . . . . . 762 ASP CB . 27082 1 818 . 1 1 308 308 ASP N N 15 122.166 0.090 . . . . . . . 762 ASP N . 27082 1 819 . 1 1 309 309 LEU H H 1 8.323 0.005 . . . . . . . 763 LEU HN . 27082 1 820 . 1 1 309 309 LEU C C 13 176.846 0.000 . . . . . . . 763 LEU C . 27082 1 821 . 1 1 309 309 LEU CA C 13 54.302 0.000 . . . . . . . 763 LEU CA . 27082 1 822 . 1 1 309 309 LEU N N 15 122.778 0.120 . . . . . . . 763 LEU N . 27082 1 823 . 1 1 310 310 SER H H 1 8.591 0.005 . . . . . . . 764 SER HN . 27082 1 824 . 1 1 310 310 SER C C 13 171.643 0.000 . . . . . . . 764 SER C . 27082 1 825 . 1 1 310 310 SER CA C 13 56.762 0.000 . . . . . . . 764 SER CA . 27082 1 826 . 1 1 310 310 SER CB C 13 65.432 0.000 . . . . . . . 764 SER CB . 27082 1 827 . 1 1 310 310 SER N N 15 116.381 0.027 . . . . . . . 764 SER N . 27082 1 828 . 1 1 311 311 ALA H H 1 8.171 0.005 . . . . . . . 765 ALA HN . 27082 1 829 . 1 1 311 311 ALA CB C 13 16.519 0.000 . . . . . . . 765 ALA CB . 27082 1 830 . 1 1 311 311 ALA N N 15 127.138 0.031 . . . . . . . 765 ALA N . 27082 1 831 . 1 1 312 312 PRO C C 13 176.455 0.000 . . . . . . . 766 PRO C . 27082 1 832 . 1 1 312 312 PRO CB C 13 31.072 0.000 . . . . . . . 766 PRO CB . 27082 1 833 . 1 1 313 313 PHE H H 1 8.201 0.009 . . . . . . . 767 PHE HN . 27082 1 834 . 1 1 313 313 PHE CB C 13 38.807 0.000 . . . . . . . 767 PHE CB . 27082 1 835 . 1 1 313 313 PHE N N 15 121.160 0.054 . . . . . . . 767 PHE N . 27082 1 stop_ save_