data_18741 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The backbone 1H, 13C, 15N resonance assignment of FGFR1 kinase domain in its free form ; _BMRB_accession_number 18741 _BMRB_flat_file_name bmr18741.str _Entry_type original _Submission_date 2012-09-26 _Accession_date 2012-09-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vajpai Navratna . . 2 Breeze Alexander L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 254 "13C chemical shifts" 814 "15N chemical shifts" 254 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-12 original author . stop_ _Original_release_date 2013-02-12 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR backbone assignments of the tyrosine kinase domain of human fibroblast growth factor receptor 1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23325512 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vajpai Navratna . . 2 Schott Anne-Kathrin . . 3 Vogtherr Martin . . 4 Breeze Alexander L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . loop_ _Keyword backbone FGFR1 human oncology 'tyrosine kinase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Fibroblast Growth Factor Recoptor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FGFR1 kinase' $FGFR1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FGFR1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FGFR1 _Molecular_mass 38202 _Mol_thiol_state 'all free' loop_ _Biological_function 'Members of the fibroblast growth factor receptor family (FGFR1 to 4) are key mediators of both developmental and disease-associated angiogenesis.' stop_ _Details 'Mass given is for non-isotopically labelled FGFR1 kinase' ############################## # Polymer residue sequence # ############################## _Residue_count 334 _Mol_residue_sequence ; MHHHHHHGSTSLYKKAGSSE NLYFQGAGVSEYELPEDPRW ELPRDRLVLGKPLGEGAFGQ VVLAEAIGLDKDKPNRVTKV AVKMLKSDATEKDLSDLISE MEMMKMIGKHKNIINLLGAC TQDGPLYVIVEYASKGNLRE YLQARRPPGLEYSYNPSHNP EEQLSSKDLVSCAYQVARGM EYLASKKCIHRALAARNVLV TEDNVMKIADFGLARDIHHI DYYKKTTNGRLPVKWMAPEA LFDRIYTHQSDVWSFGVLLW EIFTLGGSPYPGVPVEELFK LLKEGHRMDKPSNCTNELYM MMRDCWHAVPSQRPTFKQLV EDLDRIVALTSNQE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 432 MET 2 433 HIS 3 434 HIS 4 435 HIS 5 436 HIS 6 437 HIS 7 438 HIS 8 439 GLY 9 440 SER 10 441 THR 11 442 SER 12 443 LEU 13 444 TYR 14 445 LYS 15 446 LYS 16 447 ALA 17 448 GLY 18 449 SER 19 450 SER 20 451 GLU 21 452 ASN 22 453 LEU 23 454 TYR 24 455 PHE 25 456 GLN 26 457 GLY 27 458 ALA 28 459 GLY 29 460 VAL 30 461 SER 31 462 GLU 32 463 TYR 33 464 GLU 34 465 LEU 35 466 PRO 36 467 GLU 37 468 ASP 38 469 PRO 39 470 ARG 40 471 TRP 41 472 GLU 42 473 LEU 43 474 PRO 44 475 ARG 45 476 ASP 46 477 ARG 47 478 LEU 48 479 VAL 49 480 LEU 50 481 GLY 51 482 LYS 52 483 PRO 53 484 LEU 54 485 GLY 55 486 GLU 56 487 GLY 57 488 ALA 58 489 PHE 59 490 GLY 60 491 GLN 61 492 VAL 62 493 VAL 63 494 LEU 64 495 ALA 65 496 GLU 66 497 ALA 67 498 ILE 68 499 GLY 69 500 LEU 70 501 ASP 71 502 LYS 72 503 ASP 73 504 LYS 74 505 PRO 75 506 ASN 76 507 ARG 77 508 VAL 78 509 THR 79 510 LYS 80 511 VAL 81 512 ALA 82 513 VAL 83 514 LYS 84 515 MET 85 516 LEU 86 517 LYS 87 518 SER 88 519 ASP 89 520 ALA 90 521 THR 91 522 GLU 92 523 LYS 93 524 ASP 94 525 LEU 95 526 SER 96 527 ASP 97 528 LEU 98 529 ILE 99 530 SER 100 531 GLU 101 532 MET 102 533 GLU 103 534 MET 104 535 MET 105 536 LYS 106 537 MET 107 538 ILE 108 539 GLY 109 540 LYS 110 541 HIS 111 542 LYS 112 543 ASN 113 544 ILE 114 545 ILE 115 546 ASN 116 547 LEU 117 548 LEU 118 549 GLY 119 550 ALA 120 551 CYS 121 552 THR 122 553 GLN 123 554 ASP 124 555 GLY 125 556 PRO 126 557 LEU 127 558 TYR 128 559 VAL 129 560 ILE 130 561 VAL 131 562 GLU 132 563 TYR 133 564 ALA 134 565 SER 135 566 LYS 136 567 GLY 137 568 ASN 138 569 LEU 139 570 ARG 140 571 GLU 141 572 TYR 142 573 LEU 143 574 GLN 144 575 ALA 145 576 ARG 146 577 ARG 147 578 PRO 148 579 PRO 149 580 GLY 150 581 LEU 151 582 GLU 152 583 TYR 153 584 SER 154 585 TYR 155 586 ASN 156 587 PRO 157 588 SER 158 589 HIS 159 590 ASN 160 591 PRO 161 592 GLU 162 593 GLU 163 594 GLN 164 595 LEU 165 596 SER 166 597 SER 167 598 LYS 168 599 ASP 169 600 LEU 170 601 VAL 171 602 SER 172 603 CYS 173 604 ALA 174 605 TYR 175 606 GLN 176 607 VAL 177 608 ALA 178 609 ARG 179 610 GLY 180 611 MET 181 612 GLU 182 613 TYR 183 614 LEU 184 615 ALA 185 616 SER 186 617 LYS 187 618 LYS 188 619 CYS 189 620 ILE 190 621 HIS 191 622 ARG 192 623 ALA 193 624 LEU 194 625 ALA 195 626 ALA 196 627 ARG 197 628 ASN 198 629 VAL 199 630 LEU 200 631 VAL 201 632 THR 202 633 GLU 203 634 ASP 204 635 ASN 205 636 VAL 206 637 MET 207 638 LYS 208 639 ILE 209 640 ALA 210 641 ASP 211 642 PHE 212 643 GLY 213 644 LEU 214 645 ALA 215 646 ARG 216 647 ASP 217 648 ILE 218 649 HIS 219 650 HIS 220 651 ILE 221 652 ASP 222 653 TYR 223 654 TYR 224 655 LYS 225 656 LYS 226 657 THR 227 658 THR 228 659 ASN 229 660 GLY 230 661 ARG 231 662 LEU 232 663 PRO 233 664 VAL 234 665 LYS 235 666 TRP 236 667 MET 237 668 ALA 238 669 PRO 239 670 GLU 240 671 ALA 241 672 LEU 242 673 PHE 243 674 ASP 244 675 ARG 245 676 ILE 246 677 TYR 247 678 THR 248 679 HIS 249 680 GLN 250 681 SER 251 682 ASP 252 683 VAL 253 684 TRP 254 685 SER 255 686 PHE 256 687 GLY 257 688 VAL 258 689 LEU 259 690 LEU 260 691 TRP 261 692 GLU 262 693 ILE 263 694 PHE 264 695 THR 265 696 LEU 266 697 GLY 267 698 GLY 268 699 SER 269 700 PRO 270 701 TYR 271 702 PRO 272 703 GLY 273 704 VAL 274 705 PRO 275 706 VAL 276 707 GLU 277 708 GLU 278 709 LEU 279 710 PHE 280 711 LYS 281 712 LEU 282 713 LEU 283 714 LYS 284 715 GLU 285 716 GLY 286 717 HIS 287 718 ARG 288 719 MET 289 720 ASP 290 721 LYS 291 722 PRO 292 723 SER 293 724 ASN 294 725 CYS 295 726 THR 296 727 ASN 297 728 GLU 298 729 LEU 299 730 TYR 300 731 MET 301 732 MET 302 733 MET 303 734 ARG 304 735 ASP 305 736 CYS 306 737 TRP 307 738 HIS 308 739 ALA 309 740 VAL 310 741 PRO 311 742 SER 312 743 GLN 313 744 ARG 314 745 PRO 315 746 THR 316 747 PHE 317 748 LYS 318 749 GLN 319 750 LEU 320 751 VAL 321 752 GLU 322 753 ASP 323 754 LEU 324 755 ASP 325 756 ARG 326 757 ILE 327 758 VAL 328 759 ALA 329 760 LEU 330 761 THR 331 762 SER 332 763 ASN 333 764 GLN 334 765 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1AGW "Crystal Structure Of The Tyrosine Kinase Domain Of Fibroblast Growth Factor Receptor 1 In Complex With Su4984 Inhibitor" 92.22 310 99.68 99.68 0.00e+00 PDB 1FGI "Crystal Structure Of The Tyrosine Kinase Domain Of Fibroblast Growth Factor Receptor 1 In Complex With Su5402 Inhibitor" 92.22 310 99.68 99.68 0.00e+00 PDB 1FGK "Crystal Structure Of The Tyrosine Kinase Domain Of Fibroblast Growth Factor Receptor 1" 92.22 310 99.68 99.68 0.00e+00 PDB 2FGI "Crystal Structure Of The Tyrosine Kinase Domain Of Fgf Receptor 1 In Complex With Inhibitor Pd173074" 92.22 310 99.68 99.68 0.00e+00 PDB 3C4F "Fgfr Tyrosine Kinase Domain In Complex With 3-(3- Methoxybenzyl)-7-Azaindole" 90.42 302 99.34 99.34 0.00e+00 PDB 3RHX "Crystal Structure Of The Catalytic Domain Of Fgfr1 Kinase In Complex With Arq 069" 91.32 306 99.67 99.67 0.00e+00 PDB 3WJ6 "Human Fgfr1 Kinase In Complex With Ch5183284" 92.22 310 99.68 99.68 0.00e+00 PDB 4F63 "Crystal Structure Of Human Fibroblast Growth Factor Receptor 1 Kinase Domain In Complex With Compound 1" 92.51 309 99.68 99.68 0.00e+00 PDB 4F64 "Crystal Structure Of Human Fibroblast Growth Factor Receptor 1 Kinase Domain In Complex With Compound 6" 92.51 309 99.68 99.68 0.00e+00 PDB 4F65 "Crystal Structure Of Human Fibroblast Growth Factor Receptor 1 Kinase Domain In Complex With Compound 8" 92.51 309 99.68 99.68 0.00e+00 PDB 4NK9 "Crystal Structure Of Human Fibroblast Growth Factor Receptor 1 Kinase Domain In Complex With Pyrazolaminopyrimidine 1" 92.51 309 99.68 99.68 0.00e+00 PDB 4NKA "Crystal Structure Of Human Fibroblast Growth Factor Receptor 1 Kinase Domain In Complex With Pyrazolaminopyrimidine 2" 92.51 309 99.68 99.68 0.00e+00 PDB 4NKS "Crystal Structure Of Human Fibroblast Growth Factor Receptor 1 Kinase Domain In Complex With Pyrazolaminopyrimidine 3" 92.51 309 99.68 99.68 0.00e+00 PDB 4UWB "Fibroblast Growth Factor Receptor 1 Kinase In Complex With Jk-p5" 92.51 309 99.68 99.68 0.00e+00 PDB 4UWC "Fibroblast Growth Factor Receptor 1 Kinase In Complex With Jk-p3" 92.51 309 99.68 99.68 0.00e+00 PDB 4UWY "Fgfr1 Apo Structure" 92.22 310 99.68 99.68 0.00e+00 PDB 4UWZ "Native Fgfr1 With An Inhibitor" 92.22 310 99.68 99.68 0.00e+00 PDB 4UX0 "Fgfr1 Mutant With An Inhibitor" 92.22 310 99.35 99.68 0.00e+00 PDB 4V01 "Fgfr1 In Complex With Ponatinib (co-crystallisation)." 92.51 309 99.68 99.68 0.00e+00 PDB 4V04 "Fgfr1 In Complex With Ponatinib." 92.51 309 99.68 99.68 0.00e+00 PDB 4V05 "Fgfr1 In Complex With Azd4547." 92.51 309 99.68 99.68 0.00e+00 PDB 4WUN "Structure Of Fgfr1 In Complex With Azd4547 (n-{3-[2-(3,5- Dimethoxyphenyl)ethyl]-1h-pyrazol-5-yl}-4-[(3r,5s)-3,5- Dimethylpiper" 92.22 311 99.35 99.68 0.00e+00 PDB 4ZSA "Crystal Structure Of Fgfr1 Kinase Domain In Complex With 7n" 92.22 308 99.68 99.68 0.00e+00 PDB 5A46 "Fgfr1 In Complex With Dovitinib" 92.22 386 99.03 99.03 0.00e+00 PDB 5A4C "Fgfr1 Ligand Complex" 91.92 307 99.35 99.35 0.00e+00 PDB 5AM6 "Native Fgfr1 With An Inhibitor" 92.22 310 99.68 99.68 0.00e+00 PDB 5AM7 "Fgfr1 Mutant With An Inhibitor" 92.22 310 99.35 99.68 0.00e+00 DBJ BAA02059 "FGF receptor-1 [Rattus norvegicus]" 92.22 822 98.38 98.70 0.00e+00 DBJ BAC25899 "unnamed protein product [Mus musculus]" 92.22 733 99.03 99.03 0.00e+00 DBJ BAC28662 "unnamed protein product [Mus musculus]" 87.13 348 98.97 98.97 0.00e+00 DBJ BAD92156 "fibroblast growth factor receptor 1 isoform 1 precursor variant [Homo sapiens]" 92.22 814 99.03 99.03 0.00e+00 DBJ BAD96438 "fibroblast growth factor receptor 1 isoform 2 precursor variant [Homo sapiens]" 92.22 820 98.38 98.70 0.00e+00 EMBL CAA36101 "unnamed protein product [Homo sapiens]" 92.22 822 99.03 99.03 0.00e+00 EMBL CAA36175 "precursor polypeptide (AA -21 to 799) [Mus musculus]" 92.22 820 99.03 99.03 0.00e+00 EMBL CAA37015 "unnamed protein product [Homo sapiens]" 92.22 822 99.03 99.03 0.00e+00 EMBL CAA40401 "Fibroblast Growth Factor Receptor, 2-Ig Domain+2 AA insert [Homo sapiens]" 92.22 733 99.03 99.03 0.00e+00 EMBL CAA40402 "Fibroblast Growth Factor Receptor, 3 Ig-Domain Form [Homo sapiens]" 92.22 820 99.03 99.03 0.00e+00 GB AAA35835 "FGF receptor-1 precursor [Homo sapiens]" 92.22 820 99.03 99.03 0.00e+00 GB AAA35836 "fibroblast growth factor receptor (FGFr) transmembrane form [Homo sapiens]" 92.22 733 99.03 99.03 0.00e+00 GB AAA35837 "fibroblast growth factor receptor (FGFr) transmembrane form [Homo sapiens]" 92.22 731 99.03 99.03 0.00e+00 GB AAA35840 "fibroblast growth factor receptor [Homo sapiens]" 92.22 820 99.03 99.03 0.00e+00 GB AAA35958 "heparin-binding growth factor receptor [Homo sapiens]" 92.22 822 99.03 99.03 0.00e+00 PRF 1908208A "fibroblast growth factor receptor 1" 92.22 822 98.38 98.70 0.00e+00 PRF 1909124A "fibroblast growth factor receptor:ISOTYPE=1 beta" 92.22 729 99.03 99.03 0.00e+00 PRF 2103285A "fibroblast growth factor receptor 1" 92.22 822 98.70 99.03 0.00e+00 REF NP_001073377 "fibroblast growth factor receptor 1 isoform 2 precursor [Mus musculus]" 92.22 820 99.03 99.03 0.00e+00 REF NP_001073378 "fibroblast growth factor receptor 1 isoform 3 precursor [Mus musculus]" 92.22 733 99.03 99.03 0.00e+00 REF NP_001103677 "fibroblast growth factor receptor 1 precursor [Bos taurus]" 92.22 820 98.38 99.03 0.00e+00 REF NP_001127472 "fibroblast growth factor receptor 1 precursor [Pongo abelii]" 92.22 820 98.70 99.03 0.00e+00 REF NP_001167534 "fibroblast growth factor receptor 1 isoform 10 precursor [Homo sapiens]" 92.22 820 99.03 99.03 0.00e+00 SP P11362 "RecName: Full=Fibroblast growth factor receptor 1; Short=FGFR-1; AltName: Full=Basic fibroblast growth factor receptor 1; Short" 92.22 822 99.03 99.03 0.00e+00 SP P16092 "RecName: Full=Fibroblast growth factor receptor 1; Short=FGFR-1; Short=bFGF-R-1; AltName: Full=Basic fibroblast growth factor r" 92.22 822 99.03 99.03 0.00e+00 SP Q04589 "RecName: Full=Fibroblast growth factor receptor 1; Short=FGFR-1; Short=bFGF-R-1; AltName: Full=Basic fibroblast growth factor r" 92.22 822 98.38 98.70 0.00e+00 TPG DAA14429 "TPA: fibroblast growth factor receptor 1 [Bos taurus]" 92.22 820 98.38 99.03 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FGFR1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $FGFR1 'recombinant technology' . Escherichia coli . pDEST17 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGFR1 0.45 mM '[U-13C; U-15N; U-2H]' 'sodium phosphate' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGFR1 0.45 mM '[U-15N, U-50% 2H]' 'sodium phosphate' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGFR1 0.05 mM [U-15N]-Leu 'sodium phosphate' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGFR1 0.05 mM [U-15N]-Thr 'sodium phosphate' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGFR1 0.05 mM [U-15N]-Val 'sodium phosphate' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGFR1 0.05 mM [U-15N]-Tyr 'sodium phosphate' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGFR1 0.05 mM [U-15N]-Met 'sodium phosphate' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGFR1 0.05 mM [U-15N]-Phe 'sodium phosphate' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_9 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FGFR1 0.05 mM [U-15N]-Ile 'sodium phosphate' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.8.4 loop_ _Vendor _Address _Electronic_address 'Rochus Keller, Kurt Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'Linux platform' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details 'Linux platform' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'Triple Gradient probe, equipped with Cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC-TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-TROSY' _Sample_label $sample_2 save_ save_3D_HN(CA)CB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC-TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-TROSY' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC-TROSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-TROSY' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC-TROSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-TROSY' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC-TROSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-TROSY' _Sample_label $sample_6 save_ save_2D_1H-15N_HSQC-TROSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-TROSY' _Sample_label $sample_7 save_ save_2D_1H-15N_HSQC-TROSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-TROSY' _Sample_label $sample_8 save_ save_2D_1H-15N_HSQC-TROSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC-TROSY' _Sample_label $sample_9 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'All the samples were run under the same conditions' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1 TSP N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC-TROSY' '3D HN(CA)CB' '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D HN(CA)CO' '3D HN(COCA)CB' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'FGFR1 kinase' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 439 8 GLY CA C 44.351 0.3 1 2 440 9 SER H H 7.795 0.020 1 3 440 9 SER CA C 59.057 0.3 1 4 440 9 SER CB C 63.391 0.3 1 5 440 9 SER N N 121.661 0.3 1 6 442 11 SER C C 174.566 0.3 1 7 442 11 SER CB C 62.574 0.3 1 8 443 12 LEU H H 7.945 0.020 1 9 443 12 LEU C C 176.603 0.3 1 10 443 12 LEU CA C 54.596 0.3 1 11 443 12 LEU CB C 40.602 0.3 1 12 443 12 LEU N N 122.377 0.3 1 13 444 13 TYR H H 7.835 0.020 1 14 444 13 TYR C C 175.014 0.3 1 15 444 13 TYR CA C 56.806 0.3 1 16 444 13 TYR CB C 37.366 0.3 1 17 444 13 TYR N N 119.635 0.3 1 18 445 14 LYS H H 7.901 0.020 1 19 445 14 LYS C C 175.628 0.3 1 20 445 14 LYS CA C 55.095 0.3 1 21 445 14 LYS CB C 31.810 0.3 1 22 445 14 LYS N N 123.116 0.3 1 23 446 15 LYS H H 8.113 0.020 1 24 446 15 LYS C C 175.882 0.3 1 25 446 15 LYS CA C 55.335 0.3 1 26 446 15 LYS CB C 31.707 0.3 1 27 446 15 LYS N N 123.327 0.3 1 28 447 16 ALA H H 8.260 0.020 1 29 447 16 ALA C C 177.831 0.3 1 30 447 16 ALA CA C 51.824 0.3 1 31 447 16 ALA CB C 17.812 0.3 1 32 447 16 ALA N N 126.280 0.3 1 33 453 22 LEU C C 176.630 0.3 1 34 453 22 LEU CA C 54.555 0.3 1 35 453 22 LEU CB C 40.672 0.3 1 36 454 23 TYR H H 7.901 0.020 1 37 454 23 TYR C C 175.077 0.3 1 38 454 23 TYR CA C 57.076 0.3 1 39 454 23 TYR CB C 37.296 0.3 1 40 454 23 TYR N N 119.740 0.3 1 41 455 24 PHE H H 7.901 0.020 1 42 455 24 PHE C C 174.938 0.3 1 43 455 24 PHE CA C 56.836 0.3 1 44 455 24 PHE CB C 38.140 0.3 1 45 455 24 PHE N N 121.217 0.3 1 46 456 25 GLN H H 8.113 0.020 1 47 456 25 GLN C C 175.607 0.3 1 48 456 25 GLN CA C 55.065 0.3 1 49 456 25 GLN CB C 28.293 0.3 1 50 456 25 GLN N N 122.272 0.3 1 51 457 26 GLY H H 7.776 0.020 1 52 457 26 GLY C C 173.234 0.3 1 53 457 26 GLY CA C 44.351 0.3 1 54 457 26 GLY N N 109.825 0.3 1 55 458 27 ALA H H 8.069 0.020 1 56 458 27 ALA C C 177.810 0.3 1 57 458 27 ALA CA C 51.713 0.3 1 58 458 27 ALA CB C 18.164 0.3 1 59 458 27 ALA N N 123.854 0.3 1 60 459 28 GLY H H 8.282 0.020 1 61 459 28 GLY C C 173.785 0.3 1 62 459 28 GLY CA C 44.471 0.3 1 63 459 28 GLY N N 108.454 0.3 1 64 460 29 VAL H H 7.827 0.020 1 65 460 29 VAL C C 175.887 0.3 1 66 460 29 VAL CA C 61.548 0.3 1 67 460 29 VAL CB C 31.177 0.3 1 68 460 29 VAL N N 118.686 0.3 1 69 461 30 SER H H 8.218 0.020 1 70 461 30 SER C C 174.051 0.3 1 71 461 30 SER CA C 57.766 0.3 1 72 461 30 SER CB C 62.617 0.3 1 73 461 30 SER N N 118.509 0.3 1 74 462 31 GLU H H 8.187 0.020 1 75 462 31 GLU C C 175.183 0.3 1 76 462 31 GLU CA C 55.816 0.3 1 77 462 31 GLU CB C 28.926 0.3 1 78 462 31 GLU N N 122.166 0.3 1 79 463 32 TYR H H 7.717 0.020 1 80 463 32 TYR C C 174.505 0.3 1 81 463 32 TYR CA C 56.566 0.3 1 82 463 32 TYR CB C 37.718 0.3 1 83 463 32 TYR N N 119.951 0.3 1 84 464 33 GLU H H 8.077 0.020 1 85 464 33 GLU C C 174.802 0.3 1 86 464 33 GLU CA C 54.855 0.3 1 87 464 33 GLU CB C 29.559 0.3 1 88 464 33 GLU N N 122.905 0.3 1 89 465 34 LEU H H 8.355 0.020 1 90 465 34 LEU C C 174.124 0.3 1 91 465 34 LEU CA C 51.674 0.3 1 92 465 34 LEU CB C 40.672 0.3 1 93 465 34 LEU N N 125.753 0.3 1 94 466 35 PRO C C 175.763 0.3 1 95 466 35 PRO CA C 61.518 0.3 1 96 466 35 PRO CB C 30.544 0.3 1 97 467 36 GLU H H 8.355 0.020 1 98 467 36 GLU C C 176.073 0.3 1 99 467 36 GLU CA C 55.636 0.3 1 100 467 36 GLU CB C 29.488 0.3 1 101 467 36 GLU N N 121.850 0.3 1 102 468 37 ASP H H 8.540 0.020 1 103 468 37 ASP C C 175.543 0.3 1 104 468 37 ASP CA C 50.114 0.3 1 105 468 37 ASP CB C 40.250 0.3 1 106 468 37 ASP N N 122.708 0.3 1 107 469 38 PRO C C 177.290 0.3 1 108 469 38 PRO CA C 63.739 0.3 1 109 469 38 PRO CB C 31.036 0.3 1 110 470 39 ARG H H 7.901 0.020 1 111 470 39 ARG C C 176.774 0.3 1 112 470 39 ARG CA C 57.106 0.3 1 113 470 39 ARG CB C 28.363 0.3 1 114 470 39 ARG N N 117.314 0.3 1 115 471 40 TRP H H 7.088 0.020 1 116 471 40 TRP C C 174.835 0.3 1 117 471 40 TRP CA C 55.606 0.3 1 118 471 40 TRP CB C 31.739 0.3 1 119 471 40 TRP N N 115.030 0.3 1 120 472 41 GLU H H 7.130 0.020 1 121 472 41 GLU C C 175.598 0.3 1 122 472 41 GLU CA C 55.816 0.3 1 123 472 41 GLU CB C 28.293 0.3 1 124 472 41 GLU N N 121.738 0.3 1 125 473 42 LEU H H 8.854 0.020 1 126 473 42 LEU C C 174.166 0.3 1 127 473 42 LEU CA C 50.534 0.3 1 128 473 42 LEU CB C 42.923 0.3 1 129 473 42 LEU N N 133.028 0.3 1 130 474 43 PRO C C 177.682 0.3 1 131 474 43 PRO CA C 62.328 0.3 1 132 474 43 PRO CB C 30.895 0.3 1 133 475 44 ARG H H 8.575 0.020 1 134 475 44 ARG C C 177.662 0.3 1 135 475 44 ARG CA C 58.607 0.3 1 136 475 44 ARG CB C 28.433 0.3 1 137 475 44 ARG N N 123.960 0.3 1 138 476 45 ASP H H 8.249 0.020 1 139 476 45 ASP C C 176.772 0.3 1 140 476 45 ASP CA C 53.835 0.3 1 141 476 45 ASP CB C 38.210 0.3 1 142 476 45 ASP N N 114.718 0.3 1 143 477 46 ARG H H 7.538 0.020 1 144 477 46 ARG C C 173.107 0.3 1 145 477 46 ARG CA C 54.825 0.3 1 146 477 46 ARG CB C 28.222 0.3 1 147 477 46 ARG N N 118.318 0.3 1 148 478 47 LEU H H 7.197 0.020 1 149 478 47 LEU C C 175.035 0.3 1 150 478 47 LEU CA C 52.604 0.3 1 151 478 47 LEU CB C 44.048 0.3 1 152 478 47 LEU N N 120.162 0.3 1 153 479 48 VAL H H 8.773 0.020 1 154 479 48 VAL C C 176.751 0.3 1 155 479 48 VAL CA C 60.587 0.3 1 156 479 48 VAL CB C 31.388 0.3 1 157 479 48 VAL N N 125.964 0.3 1 158 480 49 LEU H H 8.788 0.020 1 159 480 49 LEU C C 176.603 0.3 1 160 480 49 LEU CA C 56.086 0.3 1 161 480 49 LEU CB C 40.531 0.3 1 162 480 49 LEU N N 130.077 0.3 1 163 481 50 GLY H H 8.583 0.020 1 164 481 50 GLY C C 172.895 0.3 1 165 481 50 GLY CA C 43.601 0.3 1 166 481 50 GLY N N 113.939 0.3 1 167 482 51 LYS H H 7.952 0.020 1 168 482 51 LYS C C 173.743 0.3 1 169 482 51 LYS CA C 53.805 0.3 1 170 482 51 LYS CB C 31.106 0.3 1 171 482 51 LYS N N 124.382 0.3 1 172 483 52 PRO C C 176.651 0.3 1 173 483 52 PRO CA C 62.898 0.3 1 174 483 52 PRO CB C 30.684 0.3 1 175 484 53 LEU H H 9.057 0.020 1 176 484 53 LEU C C 177.281 0.3 1 177 484 53 LEU CA C 53.835 0.3 1 178 484 53 LEU CB C 42.220 0.3 1 179 484 53 LEU N N 123.506 0.3 1 180 485 54 GLY H H 7.769 0.020 1 181 485 54 GLY C C 171.815 0.3 1 182 485 54 GLY CA C 44.501 0.3 1 183 485 54 GLY N N 107.294 0.3 1 184 486 55 GLU H H 8.304 0.020 1 185 486 55 GLU C C 175.628 0.3 1 186 486 55 GLU CA C 55.275 0.3 1 187 486 55 GLU CB C 30.614 0.3 1 188 486 55 GLU N N 119.529 0.3 1 189 487 56 GLY H H 8.135 0.020 1 190 487 56 GLY C C 173.425 0.3 1 191 487 56 GLY CA C 43.511 0.3 1 192 487 56 GLY N N 111.091 0.3 1 193 488 57 ALA C C 177.868 0.3 1 194 488 57 ALA CA C 53.565 0.3 1 195 488 57 ALA CB C 17.109 0.3 1 196 489 58 PHE H H 7.806 0.020 1 197 489 58 PHE C C 174.844 0.3 1 198 489 58 PHE CA C 55.816 0.3 1 199 489 58 PHE CB C 38.210 0.3 1 200 489 58 PHE N N 113.159 0.3 1 201 490 59 GLY H H 7.301 0.020 1 202 490 59 GLY C C 171.455 0.3 1 203 490 59 GLY CA C 44.321 0.3 1 204 490 59 GLY N N 108.240 0.3 1 205 491 60 GLN H H 8.539 0.020 1 206 491 60 GLN C C 173.107 0.3 1 207 491 60 GLN CA C 53.865 0.3 1 208 491 60 GLN CB C 30.051 0.3 1 209 491 60 GLN N N 119.108 0.3 1 210 492 61 VAL H H 8.239 0.020 1 211 492 61 VAL C C 175.543 0.3 1 212 492 61 VAL CA C 59.657 0.3 1 213 492 61 VAL CB C 32.372 0.3 1 214 492 61 VAL N N 122.117 0.3 1 215 493 62 VAL H H 9.086 0.020 1 216 493 62 VAL C C 173.764 0.3 1 217 493 62 VAL CA C 59.297 0.3 1 218 493 62 VAL CB C 34.060 0.3 1 219 493 62 VAL N N 126.092 0.3 1 220 494 63 LEU H H 8.289 0.020 1 221 494 63 LEU C C 174.844 0.3 1 222 494 63 LEU CA C 54.045 0.3 1 223 494 63 LEU CB C 41.165 0.3 1 224 494 63 LEU N N 127.440 0.3 1 225 495 64 ALA H H 8.642 0.020 1 226 495 64 ALA C C 174.802 0.3 1 227 495 64 ALA CA C 49.543 0.3 1 228 495 64 ALA CB C 24.002 0.3 1 229 495 64 ALA N N 124.358 0.3 1 230 496 65 GLU H H 7.929 0.020 1 231 496 65 GLU C C 174.505 0.3 1 232 496 65 GLU CA C 54.075 0.3 1 233 496 65 GLU CB C 31.106 0.3 1 234 496 65 GLU N N 117.455 0.3 1 235 497 66 ALA H H 8.971 0.020 1 236 497 66 ALA C C 176.094 0.3 1 237 497 66 ALA CA C 48.823 0.3 1 238 497 66 ALA CB C 20.696 0.3 1 239 497 66 ALA N N 125.331 0.3 1 240 498 67 ILE H H 8.744 0.020 1 241 498 67 ILE C C 176.135 0.3 1 242 498 67 ILE CA C 59.687 0.3 1 243 498 67 ILE CB C 38.843 0.3 1 244 498 67 ILE N N 125.014 0.3 1 245 499 68 GLY H H 7.901 0.020 1 246 499 68 GLY C C 175.099 0.3 1 247 499 68 GLY CA C 46.812 0.3 1 248 499 68 GLY N N 112.568 0.3 1 249 500 69 LEU H H 8.168 0.020 1 250 500 69 LEU C C 177.175 0.3 1 251 500 69 LEU CA C 56.026 0.3 1 252 500 69 LEU CB C 40.461 0.3 1 253 500 69 LEU N N 119.204 0.3 1 254 501 70 ASP H H 8.231 0.020 1 255 501 70 ASP C C 176.772 0.3 1 256 501 70 ASP CA C 51.794 0.3 1 257 501 70 ASP CB C 40.462 0.3 1 258 501 70 ASP N N 118.580 0.3 1 259 502 71 LYS H H 8.487 0.020 1 260 502 71 LYS C C 176.984 0.3 1 261 502 71 LYS CA C 57.556 0.3 1 262 502 71 LYS CB C 30.614 0.3 1 263 502 71 LYS N N 124.909 0.3 1 264 503 72 ASP H H 8.245 0.020 1 265 503 72 ASP C C 175.882 0.3 1 266 503 72 ASP CA C 54.225 0.3 1 267 503 72 ASP CB C 39.969 0.3 1 268 503 72 ASP N N 116.260 0.3 1 269 504 73 LYS H H 7.424 0.020 1 270 504 73 LYS C C 174.315 0.3 1 271 504 73 LYS CA C 52.544 0.3 1 272 504 73 LYS CB C 31.880 0.3 1 273 504 73 LYS N N 119.846 0.3 1 274 505 74 PRO C C 175.949 0.3 1 275 505 74 PRO CA C 64.069 0.3 1 276 505 74 PRO CB C 30.895 0.3 1 277 506 75 ASN H H 8.333 0.020 1 278 506 75 ASN C C 174.802 0.3 1 279 506 75 ASN CA C 51.824 0.3 1 280 506 75 ASN CB C 37.577 0.3 1 281 506 75 ASN N N 113.728 0.3 1 282 507 76 ARG H H 7.410 0.020 1 283 507 76 ARG C C 175.713 0.3 1 284 507 76 ARG CA C 55.546 0.3 1 285 507 76 ARG CB C 29.840 0.3 1 286 507 76 ARG N N 121.428 0.3 1 287 508 77 VAL H H 8.663 0.020 1 288 508 77 VAL C C 175.610 0.3 1 289 508 77 VAL CA C 61.098 0.3 1 290 508 77 VAL CB C 31.739 0.3 1 291 508 77 VAL N N 128.073 0.3 1 292 509 78 THR H H 8.795 0.020 1 293 509 78 THR C C 173.234 0.3 1 294 509 78 THR CA C 60.557 0.3 1 295 509 78 THR CB C 70.495 0.3 1 296 509 78 THR N N 123.749 0.3 1 297 510 79 LYS H H 8.737 0.020 1 298 510 79 LYS C C 175.183 0.3 1 299 510 79 LYS CA C 55.846 0.3 1 300 510 79 LYS CB C 31.247 0.3 1 301 510 79 LYS N N 127.440 0.3 1 302 511 80 VAL H H 8.694 0.020 1 303 511 80 VAL C C 171.285 0.3 1 304 511 80 VAL CA C 58.817 0.3 1 305 511 80 VAL N N 117.083 0.3 1 306 512 81 ALA H H 8.405 0.020 1 307 512 81 ALA C C 174.844 0.3 1 308 512 81 ALA CA C 49.213 0.3 1 309 512 81 ALA N N 122.812 0.3 1 310 513 82 VAL H H 9.040 0.020 1 311 513 82 VAL C C 174.823 0.3 1 312 513 82 VAL CA C 60.047 0.3 1 313 513 82 VAL CB C 31.669 0.3 1 314 513 82 VAL N N 121.439 0.3 1 315 514 83 LYS H H 9.346 0.020 1 316 514 83 LYS C C 174.611 0.3 1 317 514 83 LYS CA C 54.945 0.3 1 318 514 83 LYS CB C 31.810 0.3 1 319 514 83 LYS N N 127.379 0.3 1 320 515 84 MET H H 8.465 0.020 1 321 515 84 MET C C 173.870 0.3 1 322 515 84 MET CA C 53.145 0.3 1 323 515 84 MET CB C 35.326 0.3 1 324 515 84 MET N N 118.686 0.3 1 325 516 85 LEU H H 8.986 0.020 1 326 516 85 LEU C C 178.509 0.3 1 327 516 85 LEU CA C 53.565 0.3 1 328 516 85 LEU CB C 40.602 0.3 1 329 516 85 LEU N N 119.846 0.3 1 330 517 86 LYS H H 8.553 0.020 1 331 517 86 LYS C C 177.641 0.3 1 332 517 86 LYS CA C 55.335 0.3 1 333 517 86 LYS CB C 32.302 0.3 1 334 517 86 LYS N N 120.479 0.3 1 335 518 87 SER H H 8.642 0.020 1 336 518 87 SER C C 174.357 0.3 1 337 518 87 SER CA C 60.347 0.3 1 338 518 87 SER CB C 61.633 0.3 1 339 518 87 SER N N 116.381 0.3 1 340 519 88 ASP H H 8.218 0.020 1 341 519 88 ASP C C 175.099 0.3 1 342 519 88 ASP CA C 52.064 0.3 1 343 519 88 ASP CB C 37.999 0.3 1 344 519 88 ASP N N 119.034 0.3 1 345 520 89 ALA H H 7.124 0.020 1 346 520 89 ALA C C 177.471 0.3 1 347 520 89 ALA CA C 51.854 0.3 1 348 520 89 ALA CB C 20.274 0.3 1 349 520 89 ALA N N 121.745 0.3 1 350 521 90 THR H H 9.067 0.020 1 351 521 90 THR C C 175.861 0.3 1 352 521 90 THR CA C 59.297 0.3 1 353 521 90 THR CB C 71.339 0.3 1 354 521 90 THR N N 112.040 0.3 1 355 522 91 GLU H H 8.898 0.020 1 356 522 91 GLU C C 178.022 0.3 1 357 522 91 GLU CA C 59.087 0.3 1 358 522 91 GLU CB C 27.660 0.3 1 359 522 91 GLU N N 120.584 0.3 1 360 523 92 LYS H H 7.776 0.020 1 361 523 92 LYS C C 177.365 0.3 1 362 523 92 LYS CA C 57.796 0.3 1 363 523 92 LYS CB C 30.544 0.3 1 364 523 92 LYS N N 121.006 0.3 1 365 524 93 ASP H H 7.213 0.020 1 366 524 93 ASP C C 178.149 0.3 1 367 524 93 ASP CA C 56.896 0.3 1 368 524 93 ASP CB C 40.039 0.3 1 369 524 93 ASP N N 119.555 0.3 1 370 525 94 LEU H H 7.439 0.020 1 371 525 94 LEU C C 177.154 0.3 1 372 525 94 LEU CA C 57.556 0.3 1 373 525 94 LEU CB C 39.406 0.3 1 374 525 94 LEU N N 120.388 0.3 1 375 526 95 SER H H 8.062 0.020 1 376 526 95 SER C C 177.187 0.3 1 377 526 95 SER CA C 61.038 0.3 1 378 526 95 SER CB C 61.038 0.3 1 379 526 95 SER N N 114.045 0.3 1 380 527 96 ASP H H 8.357 0.020 1 381 527 96 ASP C C 178.149 0.3 1 382 527 96 ASP CA C 56.566 0.3 1 383 527 96 ASP CB C 38.351 0.3 1 384 527 96 ASP N N 122.869 0.3 1 385 528 97 LEU H H 7.710 0.020 1 386 528 97 LEU C C 178.192 0.3 1 387 528 97 LEU CA C 57.136 0.3 1 388 528 97 LEU CB C 39.969 0.3 1 389 528 97 LEU N N 124.909 0.3 1 390 529 98 ILE H H 8.297 0.020 1 391 529 98 ILE C C 177.827 0.3 1 392 529 98 ILE CA C 65.059 0.3 1 393 529 98 ILE CB C 36.452 0.3 1 394 529 98 ILE N N 119.658 0.3 1 395 530 99 SER H H 8.359 0.020 1 396 530 99 SER C C 177.831 0.3 1 397 530 99 SER CA C 61.308 0.3 1 398 530 99 SER CB C 61.633 0.3 1 399 530 99 SER N N 114.718 0.3 1 400 531 100 GLU H H 7.802 0.020 1 401 531 100 GLU C C 177.810 0.3 1 402 531 100 GLU CA C 58.547 0.3 1 403 531 100 GLU CB C 27.660 0.3 1 404 531 100 GLU N N 124.098 0.3 1 405 532 101 MET H H 7.926 0.020 1 406 532 101 MET C C 177.127 0.3 1 407 532 101 MET CA C 59.117 0.3 1 408 532 101 MET CB C 30.639 0.3 1 409 532 101 MET N N 119.965 0.3 1 410 533 102 GLU H H 8.744 0.020 1 411 533 102 GLU C C 179.590 0.3 1 412 533 102 GLU CA C 58.216 0.3 1 413 533 102 GLU CB C 27.660 0.3 1 414 533 102 GLU N N 117.424 0.3 1 415 534 103 MET H H 8.332 0.020 1 416 534 103 MET C C 178.552 0.3 1 417 534 103 MET CA C 57.316 0.3 1 418 534 103 MET CB C 29.770 0.3 1 419 534 103 MET N N 121.441 0.3 1 420 535 104 MET H H 8.099 0.020 1 421 535 104 MET C C 179.766 0.3 1 422 535 104 MET CA C 59.076 0.3 1 423 535 104 MET CB C 28.855 0.3 1 424 535 104 MET N N 117.735 0.3 1 425 536 105 LYS H H 7.769 0.020 1 426 536 105 LYS C C 178.234 0.3 1 427 536 105 LYS CA C 59.087 0.3 1 428 536 105 LYS CB C 31.599 0.3 1 429 536 105 LYS N N 119.424 0.3 1 430 537 106 MET H H 7.385 0.020 1 431 537 106 MET C C 178.213 0.3 1 432 537 106 MET CA C 56.836 0.3 1 433 537 106 MET CB C 31.388 0.3 1 434 537 106 MET N N 117.422 0.3 1 435 538 107 ILE H H 8.126 0.020 1 436 538 107 ILE C C 176.816 0.3 1 437 538 107 ILE CA C 62.568 0.3 1 438 538 107 ILE CB C 37.718 0.3 1 439 538 107 ILE N N 120.578 0.3 1 440 539 108 GLY H H 7.256 0.020 1 441 539 108 GLY C C 171.455 0.3 1 442 539 108 GLY CA C 44.051 0.3 1 443 539 108 GLY N N 106.766 0.3 1 444 540 109 LYS H H 7.622 0.020 1 445 540 109 LYS C C 176.094 0.3 1 446 540 109 LYS CA C 54.915 0.3 1 447 540 109 LYS CB C 33.568 0.3 1 448 540 109 LYS N N 116.681 0.3 1 449 541 110 HIS H H 7.842 0.020 1 450 541 110 HIS C C 174.381 0.3 1 451 541 110 HIS CA C 57.016 0.3 1 452 541 110 HIS CB C 33.100 0.3 1 453 541 110 HIS N N 119.740 0.3 1 454 542 111 LYS H H 7.395 0.020 1 455 542 111 LYS C C 177.175 0.3 1 456 542 111 LYS CA C 58.577 0.3 1 457 542 111 LYS CB C 31.669 0.3 1 458 542 111 LYS N N 127.862 0.3 1 459 543 112 ASN H H 11.179 0.020 1 460 543 112 ASN C C 173.933 0.3 1 461 543 112 ASN CA C 54.225 0.3 1 462 543 112 ASN CB C 39.406 0.3 1 463 543 112 ASN N N 118.580 0.3 1 464 544 113 ILE H H 7.296 0.020 1 465 544 113 ILE C C 173.617 0.3 1 466 544 113 ILE CA C 58.847 0.3 1 467 544 113 ILE CB C 39.406 0.3 1 468 544 113 ILE N N 111.871 0.3 1 469 545 114 ILE C C 174.711 0.3 1 470 545 114 ILE CA C 57.556 0.3 1 471 545 114 ILE CB C 34.131 0.3 1 472 546 115 ASN H H 8.776 0.020 1 473 546 115 ASN C C 175.162 0.3 1 474 546 115 ASN CA C 52.905 0.3 1 475 546 115 ASN CB C 39.406 0.3 1 476 546 115 ASN N N 125.072 0.3 1 477 547 116 LEU H H 8.121 0.020 1 478 547 116 LEU C C 175.183 0.3 1 479 547 116 LEU CA C 54.315 0.3 1 480 547 116 LEU CB C 41.235 0.3 1 481 547 116 LEU N N 120.690 0.3 1 482 548 117 LEU H H 9.399 0.020 1 483 548 117 LEU C C 177.517 0.3 1 484 548 117 LEU CA C 53.337 0.3 1 485 548 117 LEU CB C 42.853 0.3 1 486 548 117 LEU N N 124.020 0.3 1 487 549 118 GLY H H 7.933 0.020 1 488 549 118 GLY C C 168.520 0.3 1 489 549 118 GLY CA C 45.072 0.3 1 490 549 118 GLY N N 104.658 0.3 1 491 550 119 ALA H H 8.539 0.020 1 492 550 119 ALA C C 174.929 0.3 1 493 550 119 ALA CA C 50.834 0.3 1 494 550 119 ALA CB C 22.173 0.3 1 495 550 119 ALA N N 120.901 0.3 1 496 551 120 CYS H H 9.013 0.020 1 497 551 120 CYS C C 174.124 0.3 1 498 551 120 CYS CA C 56.326 0.3 1 499 551 120 CYS CB C 27.449 0.3 1 500 551 120 CYS N N 119.186 0.3 1 501 552 121 THR H H 10.505 0.020 1 502 552 121 THR C C 174.505 0.3 1 503 552 121 THR CA C 61.038 0.3 1 504 552 121 THR CB C 69.862 0.3 1 505 552 121 THR N N 115.336 0.3 1 506 553 122 GLN H H 7.222 0.020 1 507 553 122 GLN C C 176.073 0.3 1 508 553 122 GLN CA C 52.773 0.3 1 509 553 122 GLN CB C 29.770 0.3 1 510 553 122 GLN N N 120.380 0.3 1 511 554 123 ASP H H 9.133 0.020 1 512 554 123 ASP C C 173.573 0.3 1 513 554 123 ASP CA C 54.615 0.3 1 514 554 123 ASP CB C 38.281 0.3 1 515 554 123 ASP N N 121.323 0.3 1 516 555 124 GLY H H 7.322 0.020 1 517 555 124 GLY C C 169.160 0.3 1 518 555 124 GLY CA C 43.841 0.3 1 519 555 124 GLY N N 104.762 0.3 1 520 556 125 PRO C C 175.763 0.3 1 521 556 125 PRO CA C 61.068 0.3 1 522 556 125 PRO CB C 31.106 0.3 1 523 557 126 LEU H H 7.930 0.020 1 524 557 126 LEU C C 175.332 0.3 1 525 557 126 LEU CA C 54.825 0.3 1 526 557 126 LEU CB C 40.039 0.3 1 527 557 126 LEU N N 124.171 0.3 1 528 558 127 TYR H H 8.535 0.020 1 529 558 127 TYR CA C 51.287 0.3 1 530 558 127 TYR CB C 39.294 0.3 1 531 558 127 TYR N N 125.188 0.3 1 532 561 130 VAL C C 174.177 0.3 1 533 561 130 VAL CA C 57.076 0.3 1 534 561 130 VAL CB C 33.521 0.3 1 535 562 131 GLU H H 7.331 0.020 1 536 562 131 GLU C C 173.874 0.3 1 537 562 131 GLU CA C 56.312 0.3 1 538 562 131 GLU CB C 30.614 0.3 1 539 562 131 GLU N N 116.894 0.3 1 540 563 132 TYR H H 8.297 0.020 1 541 563 132 TYR C C 173.721 0.3 1 542 563 132 TYR CA C 53.595 0.3 1 543 563 132 TYR CB C 39.054 0.3 1 544 563 132 TYR N N 118.580 0.3 1 545 564 133 ALA H H 8.656 0.020 1 546 564 133 ALA C C 175.713 0.3 1 547 564 133 ALA CA C 49.063 0.3 1 548 564 133 ALA CB C 18.868 0.3 1 549 564 133 ALA N N 135.138 0.3 1 550 565 134 SER H H 8.234 0.020 1 551 565 134 SER C C 175.598 0.3 1 552 565 134 SER CA C 60.137 0.3 1 553 565 134 SER CB C 61.844 0.3 1 554 565 134 SER N N 119.285 0.3 1 555 566 135 LYS H H 7.891 0.020 1 556 566 135 LYS C C 175.946 0.3 1 557 566 135 LYS CA C 56.356 0.3 1 558 566 135 LYS CB C 30.333 0.3 1 559 566 135 LYS N N 120.613 0.3 1 560 567 136 GLY H H 7.021 0.020 1 561 567 136 GLY C C 172.196 0.3 1 562 567 136 GLY CA C 44.171 0.3 1 563 567 136 GLY N N 105.395 0.3 1 564 568 137 ASN H H 8.231 0.020 1 565 568 137 ASN C C 175.713 0.3 1 566 568 137 ASN CA C 51.584 0.3 1 567 568 137 ASN CB C 39.969 0.3 1 568 568 137 ASN N N 115.838 0.3 1 569 569 138 LEU H H 9.413 0.020 1 570 569 138 LEU C C 176.960 0.3 1 571 569 138 LEU CA C 56.116 0.3 1 572 569 138 LEU CB C 39.758 0.3 1 573 569 138 LEU N N 121.531 0.3 1 574 570 139 ARG H H 7.068 0.020 1 575 570 139 ARG C C 177.132 0.3 1 576 570 139 ARG CA C 59.987 0.3 1 577 570 139 ARG CB C 27.730 0.3 1 578 570 139 ARG N N 119.266 0.3 1 579 571 140 GLU H H 7.857 0.020 1 580 571 140 GLU C C 178.528 0.3 1 581 571 140 GLU CA C 58.096 0.3 1 582 571 140 GLU CB C 27.730 0.3 1 583 571 140 GLU N N 118.139 0.3 1 584 572 141 TYR H H 8.316 0.020 1 585 572 141 TYR CA C 59.807 0.3 1 586 572 141 TYR CB C 37.634 0.3 1 587 572 141 TYR N N 123.245 0.3 1 588 573 142 LEU C C 178.549 0.3 1 589 573 142 LEU CA C 56.356 0.3 1 590 573 142 LEU CB C 40.039 0.3 1 591 574 143 GLN H H 7.731 0.020 1 592 574 143 GLN C C 178.552 0.3 1 593 574 143 GLN CA C 58.307 0.3 1 594 574 143 GLN CB C 26.605 0.3 1 595 574 143 GLN N N 116.037 0.3 1 596 575 144 ALA H H 7.505 0.020 1 597 575 144 ALA C C 177.789 0.3 1 598 575 144 ALA CA C 52.484 0.3 1 599 575 144 ALA CB C 17.179 0.3 1 600 575 144 ALA N N 118.686 0.3 1 601 576 145 ARG H H 7.150 0.020 1 602 576 145 ARG C C 174.546 0.3 1 603 576 145 ARG CA C 54.315 0.3 1 604 576 145 ARG CB C 28.293 0.3 1 605 576 145 ARG N N 117.950 0.3 1 606 577 146 ARG H H 7.080 0.020 1 607 577 146 ARG C C 173.594 0.3 1 608 577 146 ARG CA C 54.105 0.3 1 609 577 146 ARG CB C 28.855 0.3 1 610 577 146 ARG N N 121.112 0.3 1 611 579 148 PRO C C 177.063 0.3 1 612 579 148 PRO CA C 62.418 0.3 1 613 579 148 PRO CB C 30.614 0.3 1 614 580 149 GLY H H 8.179 0.020 1 615 580 149 GLY C C 173.933 0.3 1 616 580 149 GLY CA C 44.321 0.3 1 617 580 149 GLY N N 108.876 0.3 1 618 581 150 LEU H H 7.989 0.020 1 619 581 150 LEU C C 177.323 0.3 1 620 581 150 LEU CA C 54.855 0.3 1 621 581 150 LEU CB C 40.602 0.3 1 622 581 150 LEU N N 121.534 0.3 1 623 582 151 GLU H H 8.363 0.020 1 624 582 151 GLU C C 175.713 0.3 1 625 582 151 GLU CA C 56.086 0.3 1 626 582 151 GLU CB C 28.293 0.3 1 627 582 151 GLU N N 119.740 0.3 1 628 583 152 TYR H H 7.849 0.020 1 629 583 152 TYR C C 175.247 0.3 1 630 583 152 TYR CA C 57.076 0.3 1 631 583 152 TYR CB C 37.577 0.3 1 632 583 152 TYR N N 120.373 0.3 1 633 584 153 SER H H 7.857 0.020 1 634 584 153 SER C C 173.370 0.3 1 635 584 153 SER CA C 57.316 0.3 1 636 584 153 SER CB C 62.547 0.3 1 637 584 153 SER N N 116.998 0.3 1 638 585 154 TYR H H 7.951 0.020 1 639 585 154 TYR C C 174.484 0.3 1 640 585 154 TYR CA C 57.076 0.3 1 641 585 154 TYR CB C 37.648 0.3 1 642 585 154 TYR N N 122.317 0.3 1 643 586 155 ASN H H 8.085 0.020 1 644 586 155 ASN C C 172.874 0.3 1 645 586 155 ASN CA C 49.813 0.3 1 646 586 155 ASN CB C 37.859 0.3 1 647 586 155 ASN N N 122.763 0.3 1 648 587 156 PRO C C 176.692 0.3 1 649 587 156 PRO CA C 63.018 0.3 1 650 587 156 PRO CB C 30.614 0.3 1 651 588 157 SER H H 8.033 0.020 1 652 588 157 SER C C 176.709 0.3 1 653 588 157 SER CA C 57.796 0.3 1 654 588 157 SER CB C 62.336 0.3 1 655 588 157 SER N N 114.361 0.3 1 656 589 158 HIS H H 8.267 0.020 1 657 589 158 HIS C C 175.713 0.3 1 658 589 158 HIS CA C 56.056 0.3 1 659 589 158 HIS CB C 28.855 0.3 1 660 589 158 HIS N N 122.166 0.3 1 661 590 159 ASN H H 8.180 0.020 1 662 590 159 ASN C C 174.509 0.3 1 663 590 159 ASN CA C 52.523 0.3 1 664 590 159 ASN CB C 37.651 0.3 1 665 590 159 ASN N N 119.002 0.3 1 666 591 160 PRO C C 176.981 0.3 1 667 591 160 PRO CA C 62.898 0.3 1 668 591 160 PRO CB C 30.614 0.3 1 669 592 161 GLU H H 8.245 0.020 1 670 592 161 GLU C C 176.217 0.3 1 671 592 161 GLU CA C 56.086 0.3 1 672 592 161 GLU CB C 28.785 0.3 1 673 592 161 GLU N N 119.424 0.3 1 674 593 162 GLU H H 7.827 0.020 1 675 593 162 GLU C C 174.823 0.3 1 676 593 162 GLU CA C 55.071 0.3 1 677 593 162 GLU CB C 29.277 0.3 1 678 593 162 GLU N N 119.424 0.3 1 679 594 163 GLN H H 7.818 0.020 1 680 594 163 GLN C C 175.374 0.3 1 681 594 163 GLN CA C 54.435 0.3 1 682 594 163 GLN CB C 29.418 0.3 1 683 594 163 GLN N N 119.700 0.3 1 684 595 164 LEU H H 8.436 0.020 1 685 595 164 LEU C C 176.264 0.3 1 686 595 164 LEU CA C 53.535 0.3 1 687 595 164 LEU CB C 41.657 0.3 1 688 595 164 LEU N N 123.643 0.3 1 689 596 165 SER H H 9.338 0.020 1 690 596 165 SER C C 175.099 0.3 1 691 596 165 SER CA C 55.786 0.3 1 692 596 165 SER CB C 65.150 0.3 1 693 596 165 SER N N 120.373 0.3 1 694 597 166 SER H H 8.978 0.020 1 695 597 166 SER C C 176.320 0.3 1 696 597 166 SER CA C 61.844 0.3 1 697 597 166 SER CB C 65.220 0.3 1 698 597 166 SER N N 117.204 0.3 1 699 598 167 LYS H H 8.047 0.020 1 700 598 167 LYS C C 178.382 0.3 1 701 598 167 LYS CA C 58.847 0.3 1 702 598 167 LYS CB C 30.614 0.3 1 703 598 167 LYS N N 121.112 0.3 1 704 599 168 ASP H H 7.659 0.020 1 705 599 168 ASP C C 178.721 0.3 1 706 599 168 ASP CA C 56.746 0.3 1 707 599 168 ASP CB C 40.250 0.3 1 708 599 168 ASP N N 120.795 0.3 1 709 600 169 LEU H H 7.739 0.020 1 710 600 169 LEU C C 178.570 0.3 1 711 600 169 LEU CA C 57.316 0.3 1 712 600 169 LEU CB C 39.406 0.3 1 713 600 169 LEU N N 120.373 0.3 1 714 601 170 VAL H H 8.136 0.020 1 715 601 170 VAL C C 177.471 0.3 1 716 601 170 VAL CA C 65.629 0.3 1 717 601 170 VAL CB C 30.122 0.3 1 718 601 170 VAL N N 117.025 0.3 1 719 602 171 SER H H 8.103 0.020 1 720 602 171 SER C C 176.857 0.3 1 721 602 171 SER CA C 61.087 0.3 1 722 602 171 SER CB C 61.703 0.3 1 723 602 171 SER N N 115.682 0.3 1 724 603 172 CYS H H 7.930 0.020 1 725 603 172 CYS C C 175.014 0.3 1 726 603 172 CYS CA C 62.808 0.3 1 727 603 172 CYS CB C 25.339 0.3 1 728 603 172 CYS N N 120.057 0.3 1 729 604 173 ALA H H 7.510 0.020 1 730 604 173 ALA C C 178.064 0.3 1 731 604 173 ALA CA C 54.765 0.3 1 732 604 173 ALA CB C 17.179 0.3 1 733 604 173 ALA N N 119.895 0.3 1 734 605 174 TYR C C 173.782 0.3 1 735 605 174 TYR CA C 57.736 0.3 1 736 606 175 GLN H H 7.814 0.020 1 737 606 175 GLN C C 176.981 0.3 1 738 606 175 GLN CA C 55.305 0.3 1 739 606 175 GLN N N 121.032 0.3 1 740 607 176 VAL H H 8.032 0.020 1 741 607 176 VAL C C 176.424 0.3 1 742 607 176 VAL CA C 61.668 0.3 1 743 607 176 VAL CB C 31.177 0.3 1 744 607 176 VAL N N 125.678 0.3 1 745 608 177 ALA H H 8.165 0.020 1 746 608 177 ALA CA C 51.344 0.3 1 747 608 177 ALA CB C 17.109 0.3 1 748 608 177 ALA N N 126.067 0.3 1 749 610 179 GLY CA C 44.378 0.3 1 750 611 180 MET H H 7.892 0.020 1 751 611 180 MET C C 175.619 0.3 1 752 611 180 MET CA C 54.618 0.3 1 753 611 180 MET N N 119.830 0.3 1 754 612 181 GLU H H 7.415 0.020 1 755 612 181 GLU C C 180.097 0.3 1 756 612 181 GLU CA C 57.849 0.3 1 757 612 181 GLU N N 124.383 0.3 1 758 614 183 LEU C C 179.374 0.3 1 759 614 183 LEU CA C 57.586 0.3 1 760 615 184 ALA H H 9.056 0.020 1 761 615 184 ALA C C 181.355 0.3 1 762 615 184 ALA CA C 54.105 0.3 1 763 615 184 ALA CB C 15.280 0.3 1 764 615 184 ALA N N 121.864 0.3 1 765 616 185 SER H H 7.866 0.020 1 766 616 185 SER C C 174.876 0.3 1 767 616 185 SER CA C 60.317 0.3 1 768 616 185 SER CB C 61.070 0.3 1 769 616 185 SER N N 117.887 0.3 1 770 617 186 LYS H H 6.999 0.020 1 771 617 186 LYS C C 174.929 0.3 1 772 617 186 LYS CA C 52.334 0.3 1 773 617 186 LYS CB C 29.137 0.3 1 774 617 186 LYS N N 121.833 0.3 1 775 618 187 LYS H H 7.849 0.020 1 776 618 187 LYS C C 180.649 0.3 1 777 618 187 LYS CA C 56.326 0.3 1 778 618 187 LYS CB C 27.027 0.3 1 779 618 187 LYS N N 113.201 0.3 1 780 619 188 CYS H H 8.113 0.020 1 781 619 188 CYS C C 172.895 0.3 1 782 619 188 CYS CA C 57.526 0.3 1 783 619 188 CYS CB C 26.534 0.3 1 784 619 188 CYS N N 120.231 0.3 1 785 620 189 ILE H H 8.238 0.020 1 786 620 189 ILE C C 175.522 0.3 1 787 620 189 ILE CA C 59.477 0.3 1 788 620 189 ILE CB C 37.648 0.3 1 789 620 189 ILE N N 131.326 0.3 1 790 621 190 HIS H H 11.344 0.020 1 791 621 190 HIS C C 177.497 0.3 1 792 621 190 HIS CA C 62.328 0.3 1 793 621 190 HIS N N 106.928 0.3 1 794 622 191 ARG H H 8.802 0.020 1 795 622 191 ARG C C 177.662 0.3 1 796 622 191 ARG CA C 59.267 0.3 1 797 622 191 ARG N N 108.278 0.3 1 798 623 192 ALA H H 10.032 0.020 1 799 623 192 ALA C C 176.032 0.3 1 800 623 192 ALA CA C 49.513 0.3 1 801 623 192 ALA N N 129.632 0.3 1 802 624 193 LEU H H 8.812 0.020 1 803 624 193 LEU C C 172.832 0.3 1 804 624 193 LEU CA C 56.566 0.3 1 805 624 193 LEU CB C 39.476 0.3 1 806 624 193 LEU N N 125.648 0.3 1 807 625 194 ALA H H 6.582 0.020 1 808 625 194 ALA C C 177.111 0.3 1 809 625 194 ALA CA C 50.714 0.3 1 810 625 194 ALA CB C 18.797 0.3 1 811 625 194 ALA N N 122.849 0.3 1 812 626 195 ALA H H 10.312 0.020 1 813 626 195 ALA C C 178.531 0.3 1 814 626 195 ALA CA C 55.576 0.3 1 815 626 195 ALA CB C 14.155 0.3 1 816 626 195 ALA N N 127.215 0.3 1 817 627 196 ARG H H 8.945 0.020 1 818 627 196 ARG C C 174.823 0.3 1 819 627 196 ARG CA C 57.046 0.3 1 820 627 196 ARG CB C 27.589 0.3 1 821 627 196 ARG N N 114.445 0.3 1 822 628 197 ASN H H 7.604 0.020 1 823 628 197 ASN C C 171.306 0.3 1 824 628 197 ASN CA C 51.584 0.3 1 825 628 197 ASN CB C 37.648 0.3 1 826 628 197 ASN N N 115.420 0.3 1 827 629 198 VAL H H 7.377 0.020 1 828 629 198 VAL C C 172.916 0.3 1 829 629 198 VAL CA C 60.767 0.3 1 830 629 198 VAL CB C 31.739 0.3 1 831 629 198 VAL N N 119.962 0.3 1 832 630 199 LEU C C 177.847 0.3 1 833 630 199 LEU CA C 59.807 0.3 1 834 630 199 LEU CB C 40.531 0.3 1 835 631 200 VAL H H 8.865 0.020 1 836 631 200 VAL C C 175.784 0.3 1 837 631 200 VAL CA C 63.558 0.3 1 838 631 200 VAL CB C 31.739 0.3 1 839 631 200 VAL N N 117.722 0.3 1 840 632 201 THR H H 8.308 0.020 1 841 632 201 THR C C 175.371 0.3 1 842 632 201 THR CA C 60.137 0.3 1 843 632 201 THR CB C 70.566 0.3 1 844 632 201 THR N N 115.666 0.3 1 845 633 202 GLU H H 8.311 0.020 1 846 633 202 GLU C C 175.501 0.3 1 847 633 202 GLU CA C 57.916 0.3 1 848 633 202 GLU CB C 28.222 0.3 1 849 633 202 GLU N N 119.007 0.3 1 850 634 203 ASP H H 7.697 0.020 1 851 634 203 ASP C C 173.976 0.3 1 852 634 203 ASP CA C 51.823 0.3 1 853 634 203 ASP CB C 38.210 0.3 1 854 634 203 ASP N N 113.925 0.3 1 855 635 204 ASN H H 8.055 0.020 1 856 635 204 ASN C C 173.065 0.3 1 857 635 204 ASN CA C 53.565 0.3 1 858 635 204 ASN CB C 34.693 0.3 1 859 635 204 ASN N N 115.521 0.3 1 860 636 205 VAL H H 7.404 0.020 1 861 636 205 VAL C C 175.543 0.3 1 862 636 205 VAL CA C 60.948 0.3 1 863 636 205 VAL CB C 30.333 0.3 1 864 636 205 VAL N N 119.981 0.3 1 865 637 206 MET H H 7.563 0.020 1 866 637 206 MET C C 175.692 0.3 1 867 637 206 MET CA C 51.824 0.3 1 868 637 206 MET CB C 31.880 0.3 1 869 637 206 MET N N 122.743 0.3 1 870 639 208 ILE H H 7.605 0.020 1 871 639 208 ILE C C 173.535 0.3 1 872 639 208 ILE CA C 62.598 0.3 1 873 639 208 ILE CB C 36.815 0.3 1 874 639 208 ILE N N 134.683 0.3 1 875 640 209 ALA H H 8.674 0.020 1 876 640 209 ALA C C 176.730 0.3 1 877 640 209 ALA CA C 49.453 0.3 1 878 640 209 ALA CB C 21.259 0.3 1 879 640 209 ALA N N 129.419 0.3 1 880 641 210 ASP H H 8.757 0.020 1 881 641 210 ASP CA C 54.585 0.3 1 882 641 210 ASP CB C 37.085 0.3 1 883 641 210 ASP N N 115.623 0.3 1 884 642 211 PHE H H 7.928 0.020 9 885 642 211 PHE C C 174.608 0.3 9 886 642 211 PHE CA C 56.817 0.3 9 887 642 211 PHE N N 120.205 0.3 9 888 643 212 GLY H H 7.997 0.020 1 889 643 212 GLY C C 172.535 0.3 1 890 643 212 GLY CA C 44.378 0.3 1 891 643 212 GLY N N 109.085 0.3 1 892 664 233 VAL C C 177.600 0.3 1 893 664 233 VAL CA C 64.819 0.3 1 894 664 233 VAL CB C 30.895 0.3 1 895 665 234 LYS H H 8.694 0.020 1 896 665 234 LYS C C 174.484 0.3 1 897 665 234 LYS CA C 58.847 0.3 1 898 665 234 LYS CB C 30.051 0.3 1 899 665 234 LYS N N 116.744 0.3 1 900 666 235 TRP H H 8.281 0.020 1 901 666 235 TRP C C 175.183 0.3 1 902 666 235 TRP CA C 59.597 0.3 1 903 666 235 TRP CB C 31.247 0.3 1 904 666 235 TRP N N 121.049 0.3 1 905 667 236 MET H H 7.316 0.020 1 906 667 236 MET C C 173.594 0.3 1 907 667 236 MET CA C 54.915 0.3 1 908 667 236 MET CB C 33.568 0.3 1 909 667 236 MET N N 120.796 0.3 1 910 668 237 ALA H H 8.216 0.020 1 911 668 237 ALA C C 175.671 0.3 1 912 668 237 ALA CA C 48.313 0.3 1 913 668 237 ALA CB C 16.687 0.3 1 914 668 237 ALA N N 123.960 0.3 1 915 669 238 PRO C C 176.486 0.3 1 916 669 238 PRO CA C 64.609 0.3 1 917 669 238 PRO CB C 29.700 0.3 1 918 670 239 GLU H H 9.096 0.020 1 919 670 239 GLU C C 177.302 0.3 1 920 670 239 GLU CA C 57.646 0.3 1 921 670 239 GLU CB C 24.706 0.3 1 922 670 239 GLU N N 114.712 0.3 1 923 671 240 ALA H H 6.729 0.020 1 924 671 240 ALA C C 178.382 0.3 1 925 671 240 ALA CA C 53.715 0.3 1 926 671 240 ALA CB C 16.546 0.3 1 927 671 240 ALA N N 126.078 0.3 1 928 672 241 LEU H H 7.362 0.020 1 929 672 241 LEU C C 178.531 0.3 1 930 672 241 LEU CA C 56.356 0.3 1 931 672 241 LEU CB C 41.165 0.3 1 932 672 241 LEU N N 118.680 0.3 1 933 673 242 PHE H H 8.253 0.020 1 934 673 242 PHE C C 176.793 0.3 1 935 673 242 PHE CA C 58.096 0.3 1 936 673 242 PHE CB C 37.718 0.3 1 937 673 242 PHE N N 114.158 0.3 1 938 674 243 ASP H H 6.908 0.020 1 939 674 243 ASP C C 174.802 0.3 1 940 674 243 ASP CA C 53.595 0.3 1 941 674 243 ASP CB C 41.727 0.3 1 942 674 243 ASP N N 115.552 0.3 1 943 675 244 ARG H H 7.111 0.020 1 944 675 244 ARG C C 174.174 0.3 1 945 675 244 ARG CA C 56.086 0.3 1 946 675 244 ARG CB C 25.198 0.3 1 947 675 244 ARG N N 114.564 0.3 1 948 676 245 ILE H H 7.391 0.020 1 949 676 245 ILE C C 173.234 0.3 1 950 676 245 ILE CA C 59.567 0.3 1 951 676 245 ILE CB C 37.155 0.3 1 952 676 245 ILE N N 120.643 0.3 1 953 677 246 TYR H H 7.842 0.020 1 954 677 246 TYR C C 175.734 0.3 1 955 677 246 TYR CA C 55.365 0.3 1 956 677 246 TYR CB C 38.843 0.3 1 957 677 246 TYR N N 123.960 0.3 1 958 678 247 THR H H 9.357 0.020 1 959 678 247 THR C C 175.692 0.3 1 960 678 247 THR CA C 59.387 0.3 1 961 678 247 THR CB C 73.449 0.3 1 962 678 247 THR N N 114.059 0.3 1 963 679 248 HIS H H 7.531 0.020 1 964 679 248 HIS C C 180.200 0.3 1 965 679 248 HIS CA C 57.106 0.3 1 966 679 248 HIS CB C 26.816 0.3 1 967 679 248 HIS N N 112.927 0.3 1 968 680 249 GLN C C 180.613 0.3 1 969 680 249 GLN CA C 57.076 0.3 1 970 680 249 GLN CB C 28.152 0.3 1 971 681 250 SER H H 8.467 0.020 1 972 681 250 SER C C 178.466 0.3 1 973 681 250 SER CA C 61.308 0.3 1 974 681 250 SER CB C 60.437 0.3 1 975 681 250 SER N N 121.149 0.3 1 976 682 251 ASP H H 7.663 0.020 1 977 682 251 ASP C C 178.658 0.3 1 978 682 251 ASP CA C 57.316 0.3 1 979 682 251 ASP CB C 39.406 0.3 1 980 682 251 ASP N N 126.279 0.3 1 981 683 252 VAL H H 7.703 0.020 1 982 683 252 VAL C C 177.471 0.3 1 983 683 252 VAL CA C 66.800 0.3 1 984 683 252 VAL CB C 29.700 0.3 1 985 683 252 VAL N N 123.010 0.3 1 986 684 253 TRP H H 7.208 0.020 1 987 684 253 TRP C C 179.590 0.3 1 988 684 253 TRP CA C 60.948 0.3 1 989 684 253 TRP CB C 26.956 0.3 1 990 684 253 TRP N N 121.349 0.3 1 991 685 254 SER H H 8.264 0.020 1 992 685 254 SER C C 175.970 0.3 1 993 685 254 SER CA C 61.788 0.3 1 994 685 254 SER CB C 62.758 0.3 1 995 685 254 SER N N 115.412 0.3 1 996 686 255 PHE H H 9.094 0.020 1 997 686 255 PHE C C 175.882 0.3 1 998 686 255 PHE CA C 61.098 0.3 1 999 686 255 PHE CB C 37.718 0.3 1 1000 686 255 PHE N N 123.392 0.3 1 1001 687 256 GLY H H 8.397 0.020 1 1002 687 256 GLY C C 175.416 0.3 1 1003 687 256 GLY CA C 46.632 0.3 1 1004 687 256 GLY N N 107.612 0.3 1 1005 690 259 LEU H H 8.791 0.020 1 1006 690 259 LEU CA C 54.281 0.3 1 1007 690 259 LEU N N 120.257 0.3 1 1008 694 263 PHE C C 175.990 0.3 1 1009 694 263 PHE CA C 61.698 0.3 1 1010 695 264 THR H H 7.343 0.020 1 1011 695 264 THR C C 173.594 0.3 1 1012 695 264 THR CA C 60.948 0.3 1 1013 695 264 THR CB C 68.104 0.3 1 1014 695 264 THR N N 109.190 0.3 1 1015 696 265 LEU H H 8.025 0.020 1 1016 696 265 LEU C C 175.776 0.3 1 1017 696 265 LEU CA C 55.095 0.3 1 1018 696 265 LEU CB C 35.819 0.3 1 1019 696 265 LEU N N 121.628 0.3 1 1020 697 266 GLY H H 9.315 0.020 1 1021 697 266 GLY C C 175.183 0.3 1 1022 697 266 GLY CA C 44.892 0.3 1 1023 697 266 GLY N N 106.156 0.3 1 1024 698 267 GLY H H 7.673 0.020 1 1025 698 267 GLY C C 173.255 0.3 1 1026 698 267 GLY CA C 44.081 0.3 1 1027 698 267 GLY N N 109.177 0.3 1 1028 699 268 SER H H 8.333 0.020 1 1029 699 268 SER C C 171.815 0.3 1 1030 699 268 SER CA C 54.765 0.3 1 1031 699 268 SER CB C 62.406 0.3 1 1032 699 268 SER N N 118.264 0.3 1 1033 700 269 PRO C C 174.401 0.3 1 1034 700 269 PRO CA C 61.788 0.3 1 1035 700 269 PRO CB C 31.177 0.3 1 1036 701 270 TYR H H 6.955 0.020 1 1037 701 270 TYR C C 172.408 0.3 1 1038 701 270 TYR CA C 56.236 0.3 1 1039 701 270 TYR CB C 35.326 0.3 1 1040 701 270 TYR N N 115.732 0.3 1 1041 703 272 GLY C C 173.885 0.3 1 1042 703 272 GLY CA C 44.815 0.3 1 1043 704 273 VAL H H 7.410 0.020 1 1044 704 273 VAL C C 173.954 0.3 1 1045 704 273 VAL CA C 59.057 0.3 1 1046 704 273 VAL CB C 31.458 0.3 1 1047 704 273 VAL N N 122.694 0.3 1 1048 705 274 PRO C C 178.198 0.3 1 1049 705 274 PRO CA C 61.458 0.3 1 1050 705 274 PRO CB C 31.106 0.3 1 1051 706 275 VAL H H 8.546 0.020 1 1052 706 275 VAL C C 176.200 0.3 1 1053 706 275 VAL CA C 65.809 0.3 1 1054 706 275 VAL CB C 30.051 0.3 1 1055 706 275 VAL N N 122.694 0.3 1 1056 707 276 GLU H H 9.118 0.020 1 1057 707 276 GLU C C 178.301 0.3 1 1058 707 276 GLU CA C 58.817 0.3 1 1059 707 276 GLU CB C 27.167 0.3 1 1060 707 276 GLU N N 117.507 0.3 1 1061 708 277 GLU H H 7.140 0.020 1 1062 708 277 GLU C C 174.654 0.3 1 1063 708 277 GLU CA C 56.056 0.3 1 1064 708 277 GLU CB C 28.363 0.3 1 1065 708 277 GLU N N 117.806 0.3 1 1066 709 278 LEU H H 7.545 0.020 1 1067 709 278 LEU C C 176.981 0.3 1 1068 709 278 LEU CA C 57.064 0.3 1 1069 709 278 LEU CB C 39.998 0.3 1 1070 709 278 LEU N N 121.471 0.3 1 1071 710 279 PHE H H 7.892 0.020 1 1072 710 279 PHE C C 176.857 0.3 1 1073 710 279 PHE CA C 59.987 0.3 1 1074 710 279 PHE CB C 36.522 0.3 1 1075 710 279 PHE N N 115.954 0.3 1 1076 711 280 LYS H H 7.293 0.020 1 1077 711 280 LYS C C 178.213 0.3 1 1078 711 280 LYS CA C 58.607 0.3 1 1079 711 280 LYS CB C 31.106 0.3 1 1080 711 280 LYS N N 118.867 0.3 1 1081 712 281 LEU H H 7.765 0.020 1 1082 712 281 LEU C C 179.746 0.3 1 1083 712 281 LEU CA C 57.065 0.3 1 1084 712 281 LEU CB C 39.705 0.3 1 1085 712 281 LEU N N 119.387 0.3 1 1086 713 282 LEU H H 8.522 0.020 1 1087 713 282 LEU C C 182.217 0.3 1 1088 713 282 LEU CA C 57.016 0.3 1 1089 713 282 LEU CB C 40.883 0.3 1 1090 713 282 LEU N N 118.282 0.3 1 1091 715 284 GLU C C 176.465 0.3 1 1092 715 284 GLU CA C 55.606 0.3 1 1093 715 284 GLU CB C 28.363 0.3 1 1094 716 285 GLY H H 7.492 0.020 1 1095 716 285 GLY C C 173.954 0.3 1 1096 716 285 GLY CA C 44.171 0.3 1 1097 716 285 GLY N N 105.536 0.3 1 1098 717 286 HIS H H 7.952 0.020 1 1099 717 286 HIS C C 174.876 0.3 1 1100 717 286 HIS CA C 57.076 0.3 1 1101 717 286 HIS CB C 30.262 0.3 1 1102 717 286 HIS N N 122.111 0.3 1 1103 718 287 ARG H H 7.527 0.020 1 1104 718 287 ARG C C 174.654 0.3 1 1105 718 287 ARG CA C 51.284 0.3 1 1106 718 287 ARG CB C 32.724 0.3 1 1107 718 287 ARG N N 122.588 0.3 1 1108 719 288 MET H H 7.146 0.020 1 1109 719 288 MET C C 175.332 0.3 1 1110 719 288 MET CA C 56.596 0.3 1 1111 719 288 MET CB C 33.779 0.3 1 1112 719 288 MET N N 118.158 0.3 1 1113 720 289 ASP H H 8.311 0.020 1 1114 720 289 ASP C C 174.608 0.3 1 1115 720 289 ASP CA C 52.574 0.3 1 1116 720 289 ASP CB C 41.235 0.3 1 1117 720 289 ASP N N 120.162 0.3 1 1118 721 290 LYS H H 7.982 0.020 1 1119 721 290 LYS C C 175.162 0.3 1 1120 721 290 LYS CA C 54.585 0.3 1 1121 721 290 LYS CB C 31.036 0.3 1 1122 721 290 LYS N N 122.366 0.3 1 1123 724 293 ASN C C 173.555 0.3 1 1124 724 293 ASN CA C 52.574 0.3 1 1125 724 293 ASN CB C 36.452 0.3 1 1126 725 294 CYS H H 7.314 0.020 1 1127 725 294 CYS C C 173.225 0.3 1 1128 725 294 CYS CA C 57.076 0.3 1 1129 725 294 CYS CB C 28.152 0.3 1 1130 725 294 CYS N N 117.947 0.3 1 1131 726 295 THR H H 7.313 0.020 1 1132 726 295 THR C C 175.762 0.3 1 1133 726 295 THR CA C 60.527 0.3 1 1134 726 295 THR CB C 69.581 0.3 1 1135 726 295 THR N N 117.192 0.3 1 1136 727 296 ASN C C 177.249 0.3 1 1137 727 296 ASN CA C 56.056 0.3 1 1138 727 296 ASN CB C 36.733 0.3 1 1139 728 297 GLU H H 8.803 0.020 1 1140 728 297 GLU C C 178.891 0.3 1 1141 728 297 GLU CA C 59.357 0.3 1 1142 728 297 GLU CB C 27.660 0.3 1 1143 728 297 GLU N N 119.424 0.3 1 1144 729 298 LEU H H 7.270 0.020 1 1145 729 298 LEU C C 178.149 0.3 1 1146 729 298 LEU CA C 55.606 0.3 1 1147 729 298 LEU CB C 40.109 0.3 1 1148 729 298 LEU N N 121.745 0.3 1 1149 730 299 TYR H H 7.754 0.020 1 1150 730 299 TYR C C 176.772 0.3 1 1151 730 299 TYR CA C 59.057 0.3 1 1152 730 299 TYR CB C 37.015 0.3 1 1153 730 299 TYR N N 120.479 0.3 1 1154 731 300 MET H H 8.414 0.020 1 1155 731 300 MET C C 177.471 0.3 1 1156 731 300 MET CA C 57.046 0.3 1 1157 731 300 MET CB C 30.122 0.3 1 1158 731 300 MET N N 118.158 0.3 1 1159 732 301 MET H H 6.964 0.020 1 1160 732 301 MET C C 178.043 0.3 1 1161 732 301 MET CA C 58.397 0.3 1 1162 732 301 MET CB C 31.739 0.3 1 1163 732 301 MET N N 118.935 0.3 1 1164 733 302 MET H H 7.315 0.020 1 1165 733 302 MET C C 177.847 0.3 1 1166 733 302 MET CA C 58.397 0.3 1 1167 733 302 MET CB C 30.684 0.3 1 1168 733 302 MET N N 119.013 0.3 1 1169 734 303 ARG H H 7.527 0.020 1 1170 734 303 ARG C C 176.391 0.3 1 1171 734 303 ARG CA C 55.726 0.3 1 1172 734 303 ARG CB C 28.363 0.3 1 1173 734 303 ARG N N 117.103 0.3 1 1174 735 304 ASP H H 8.112 0.020 1 1175 735 304 ASP C C 178.982 0.3 1 1176 735 304 ASP CA C 56.592 0.3 1 1177 735 304 ASP CB C 38.210 0.3 1 1178 735 304 ASP N N 123.365 0.3 1 1179 736 305 CYS H H 7.384 0.020 1 1180 736 305 CYS C C 173.361 0.3 1 1181 736 305 CYS CA C 63.318 0.3 1 1182 736 305 CYS CB C 25.057 0.3 1 1183 736 305 CYS N N 118.659 0.3 1 1184 737 306 TRP H H 6.684 0.020 1 1185 737 306 TRP C C 175.866 0.3 1 1186 737 306 TRP CA C 51.344 0.3 1 1187 737 306 TRP CB C 25.409 0.3 1 1188 737 306 TRP N N 112.671 0.3 1 1189 738 307 HIS H H 7.146 0.020 1 1190 738 307 HIS C C 177.323 0.3 1 1191 738 307 HIS CA C 58.967 0.3 1 1192 738 307 HIS CB C 29.277 0.3 1 1193 738 307 HIS N N 121.901 0.3 1 1194 739 308 ALA H H 8.872 0.020 1 1195 739 308 ALA C C 178.213 0.3 1 1196 739 308 ALA CA C 54.555 0.3 1 1197 739 308 ALA CB C 18.235 0.3 1 1198 739 308 ALA N N 129.301 0.3 1 1199 740 309 VAL H H 11.554 0.020 1 1200 740 309 VAL C C 176.031 0.3 1 1201 740 309 VAL CA C 59.327 0.3 1 1202 740 309 VAL CB C 30.614 0.3 1 1203 740 309 VAL N N 125.736 0.3 1 1204 741 310 PRO C C 178.508 0.3 1 1205 741 310 PRO CA C 65.569 0.3 1 1206 741 310 PRO CB C 31.177 0.3 1 1207 742 311 SER H H 7.813 0.020 1 1208 742 311 SER C C 174.760 0.3 1 1209 742 311 SER CA C 59.267 0.3 1 1210 742 311 SER CB C 61.211 0.3 1 1211 742 311 SER N N 108.560 0.3 1 1212 743 312 GLN H H 7.815 0.020 1 1213 743 312 GLN C C 176.217 0.3 1 1214 743 312 GLN CA C 54.439 0.3 1 1215 743 312 GLN CB C 26.857 0.3 1 1216 743 312 GLN N N 119.849 0.3 1 1217 744 313 ARG H H 7.058 0.020 1 1218 744 313 ARG C C 173.065 0.3 1 1219 744 313 ARG CA C 53.865 0.3 1 1220 744 313 ARG CB C 28.363 0.3 1 1221 744 313 ARG N N 120.901 0.3 1 1222 745 314 PRO C C 174.917 0.3 1 1223 745 314 PRO CA C 61.338 0.3 1 1224 745 314 PRO CB C 31.036 0.3 1 1225 746 315 THR H H 7.410 0.020 1 1226 746 315 THR C C 176.454 0.3 1 1227 746 315 THR CA C 58.817 0.3 1 1228 746 315 THR CB C 70.425 0.3 1 1229 746 315 THR N N 106.661 0.3 1 1230 747 316 PHE H H 8.524 0.020 1 1231 747 316 PHE C C 176.920 0.3 1 1232 747 316 PHE CA C 63.078 0.3 1 1233 747 316 PHE CB C 36.452 0.3 1 1234 747 316 PHE N N 117.736 0.3 1 1235 748 317 LYS H H 8.033 0.020 1 1236 748 317 LYS C C 178.170 0.3 1 1237 748 317 LYS CA C 58.847 0.3 1 1238 748 317 LYS CB C 31.247 0.3 1 1239 748 317 LYS N N 118.897 0.3 1 1240 749 318 GLN H H 7.307 0.020 1 1241 749 318 GLN C C 177.662 0.3 1 1242 749 318 GLN CA C 57.556 0.3 1 1243 749 318 GLN CB C 27.660 0.3 1 1244 749 318 GLN N N 119.529 0.3 1 1245 750 319 LEU H H 8.152 0.020 1 1246 750 319 LEU CA C 57.639 0.3 1 1247 750 319 LEU CB C 40.461 0.3 1 1248 750 319 LEU N N 119.820 0.3 1 1249 751 320 VAL H H 8.254 0.020 1 1250 751 320 VAL CA C 66.912 0.3 1 1251 751 320 VAL CB C 30.544 0.3 1 1252 751 320 VAL N N 118.513 0.3 1 1253 752 321 GLU H H 7.326 0.020 1 1254 752 321 GLU C C 179.705 0.3 1 1255 752 321 GLU CA C 58.744 0.3 1 1256 752 321 GLU CB C 28.011 0.3 1 1257 752 321 GLU N N 118.951 0.3 1 1258 753 322 ASP H H 8.549 0.020 1 1259 753 322 ASP C C 177.620 0.3 1 1260 753 322 ASP CA C 56.686 0.3 1 1261 753 322 ASP CB C 39.406 0.3 1 1262 753 322 ASP N N 120.616 0.3 1 1263 754 323 LEU H H 8.912 0.020 1 1264 754 323 LEU C C 177.641 0.3 1 1265 754 323 LEU CA C 57.616 0.3 1 1266 754 323 LEU CB C 41.094 0.3 1 1267 754 323 LEU N N 120.663 0.3 1 1268 755 324 ASP H H 8.657 0.020 1 1269 755 324 ASP C C 178.170 0.3 1 1270 755 324 ASP CA C 56.596 0.3 1 1271 755 324 ASP CB C 40.953 0.3 1 1272 755 324 ASP N N 121.106 0.3 1 1273 756 325 ARG H H 7.147 0.020 1 1274 756 325 ARG C C 178.219 0.3 1 1275 756 325 ARG CA C 58.307 0.3 1 1276 756 325 ARG CB C 28.293 0.3 1 1277 756 325 ARG N N 118.088 0.3 1 1278 757 326 ILE H H 7.764 0.020 1 1279 757 326 ILE C C 179.560 0.3 1 1280 757 326 ILE CA C 64.459 0.3 1 1281 757 326 ILE CB C 36.944 0.3 1 1282 757 326 ILE N N 120.166 0.3 1 1283 758 327 VAL H H 8.862 0.020 1 1284 758 327 VAL C C 178.192 0.3 1 1285 758 327 VAL CA C 66.019 0.3 1 1286 758 327 VAL CB C 30.122 0.3 1 1287 758 327 VAL N N 123.969 0.3 1 1288 759 328 ALA H H 7.512 0.020 1 1289 759 328 ALA C C 179.420 0.3 1 1290 759 328 ALA CA C 53.835 0.3 1 1291 759 328 ALA CB C 16.546 0.3 1 1292 759 328 ALA N N 121.745 0.3 1 1293 760 329 LEU H H 7.622 0.020 1 1294 760 329 LEU C C 178.361 0.3 1 1295 760 329 LEU CA C 55.546 0.3 1 1296 760 329 LEU CB C 40.813 0.3 1 1297 760 329 LEU N N 117.842 0.3 1 1298 761 330 THR H H 7.747 0.020 1 1299 761 330 THR C C 174.442 0.3 1 1300 761 330 THR CA C 63.018 0.3 1 1301 761 330 THR CB C 68.455 0.3 1 1302 761 330 THR N N 114.783 0.3 1 1303 762 331 SER H H 8.018 0.020 1 1304 762 331 SER C C 174.484 0.3 1 1305 762 331 SER CA C 58.186 0.3 1 1306 762 331 SER CB C 62.617 0.3 1 1307 762 331 SER N N 118.580 0.3 1 1308 763 332 ASN H H 8.148 0.020 1 1309 763 332 ASN C C 174.654 0.3 1 1310 763 332 ASN CA C 52.698 0.3 1 1311 763 332 ASN CB C 37.718 0.3 1 1312 763 332 ASN N N 120.208 0.3 1 1313 764 333 GLN H H 8.062 0.020 1 1314 764 333 GLN C C 174.550 0.3 1 1315 764 333 GLN CA C 55.065 0.3 1 1316 764 333 GLN CB C 28.293 0.3 1 1317 764 333 GLN N N 120.479 0.3 1 1318 765 334 GLU H H 7.901 0.020 1 1319 765 334 GLU C C 180.819 0.3 1 1320 765 334 GLU CA C 57.286 0.3 1 1321 765 334 GLU CB C 29.629 0.3 1 1322 765 334 GLU N N 127.757 0.3 1 stop_ save_