data_27082 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _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 ; _BMRB_accession_number 27082 _BMRB_flat_file_name bmr27082.str _Entry_type original _Submission_date 2017-04-24 _Accession_date 2017-04-24 _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 Sanfelice Domenico . . 2 Koss Hans . . 3 Bunney Tom D. . 4 Thiyagarajan Nethaji . . 5 Thompson Gary S. . 6 Farrell Brendan . . 7 Breeze Alexander L. . 8 Driscol Paul . . 9 Katan Matilda . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 204 "13C chemical shifts" 426 "15N chemical shifts" 205 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-15 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27083 'Tyrosine Kinase domain of human fibroblast receptor 3 in complex with inhibitor PD173074' stop_ _Original_release_date 2017-04-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _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 _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29478821 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bunney Tom D. . 2 Inglis Alison J. . 3 Sanfelice Domenico . . 4 Farrell Brendan . . 5 Kerr Christopher J. . 6 Thompson Gary S. . 7 Masson Glenn R. . 8 Thiyagarajan Nethaji . . 9 Svergun Dmitri I. . 10 Williams Roger L. . 11 Breeze Alexander L. . 12 Katan Matilda . . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 26 _Journal_issue 3 _Journal_ISSN 1878-4186 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 446 _Page_last 458 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Apo FGFR3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FGFR3 $FGFR3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'apo state for fibroblast growth factor receptor 3' save_ ######################## # Monomeric polymers # ######################## save_FGFR3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FGFR3 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Tyrosine Kinase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 314 _Mol_residue_sequence ; SELELPADPKWELSRARLTL GKPLGEGAFGQVVMAEAIGI DKDRAAKPVTVAVKMLKDDA TDKDLSDLVSEMEMMKMIGK HKNIINLLGACTQGGPLYVL VEYAAKGNLREFLRARRPPG LDYSFDTSKPPEEQLTFKDL VSCAYQVARGMEYLASQKCI HRDLAARNVLVTEDNVMKIA DFGLARDVHNLDYYKKTTNG RLPVKWMAPEALFDRVYTHQ SDVWSFGVLLWEIFTLGGSP YPGIPVEELFKLLKEGHRMD KPANCTHDLYMIMRECWHAA PSQRPTFKQLVEDLDRVLTV TSTDEYLDLSAPFE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 455 SER 2 456 GLU 3 457 LEU 4 458 GLU 5 459 LEU 6 460 PRO 7 461 ALA 8 462 ASP 9 463 PRO 10 464 LYS 11 465 TRP 12 466 GLU 13 467 LEU 14 468 SER 15 469 ARG 16 470 ALA 17 471 ARG 18 472 LEU 19 473 THR 20 474 LEU 21 475 GLY 22 476 LYS 23 477 PRO 24 478 LEU 25 479 GLY 26 480 GLU 27 481 GLY 28 482 ALA 29 483 PHE 30 484 GLY 31 485 GLN 32 486 VAL 33 487 VAL 34 488 MET 35 489 ALA 36 490 GLU 37 491 ALA 38 492 ILE 39 493 GLY 40 494 ILE 41 495 ASP 42 496 LYS 43 497 ASP 44 498 ARG 45 499 ALA 46 500 ALA 47 501 LYS 48 502 PRO 49 503 VAL 50 504 THR 51 505 VAL 52 506 ALA 53 507 VAL 54 508 LYS 55 509 MET 56 510 LEU 57 511 LYS 58 512 ASP 59 513 ASP 60 514 ALA 61 515 THR 62 516 ASP 63 517 LYS 64 518 ASP 65 519 LEU 66 520 SER 67 521 ASP 68 522 LEU 69 523 VAL 70 524 SER 71 525 GLU 72 526 MET 73 527 GLU 74 528 MET 75 529 MET 76 530 LYS 77 531 MET 78 532 ILE 79 533 GLY 80 534 LYS 81 535 HIS 82 536 LYS 83 537 ASN 84 538 ILE 85 539 ILE 86 540 ASN 87 541 LEU 88 542 LEU 89 543 GLY 90 544 ALA 91 545 CYS 92 546 THR 93 547 GLN 94 548 GLY 95 549 GLY 96 550 PRO 97 551 LEU 98 552 TYR 99 553 VAL 100 554 LEU 101 555 VAL 102 556 GLU 103 557 TYR 104 558 ALA 105 559 ALA 106 560 LYS 107 561 GLY 108 562 ASN 109 563 LEU 110 564 ARG 111 565 GLU 112 566 PHE 113 567 LEU 114 568 ARG 115 569 ALA 116 570 ARG 117 571 ARG 118 572 PRO 119 573 PRO 120 574 GLY 121 575 LEU 122 576 ASP 123 577 TYR 124 578 SER 125 579 PHE 126 580 ASP 127 581 THR 128 582 SER 129 583 LYS 130 584 PRO 131 585 PRO 132 586 GLU 133 587 GLU 134 588 GLN 135 589 LEU 136 590 THR 137 591 PHE 138 592 LYS 139 593 ASP 140 594 LEU 141 595 VAL 142 596 SER 143 597 CYS 144 598 ALA 145 599 TYR 146 600 GLN 147 601 VAL 148 602 ALA 149 603 ARG 150 604 GLY 151 605 MET 152 606 GLU 153 607 TYR 154 608 LEU 155 609 ALA 156 610 SER 157 611 GLN 158 612 LYS 159 613 CYS 160 614 ILE 161 615 HIS 162 616 ARG 163 617 ASP 164 618 LEU 165 619 ALA 166 620 ALA 167 621 ARG 168 622 ASN 169 623 VAL 170 624 LEU 171 625 VAL 172 626 THR 173 627 GLU 174 628 ASP 175 629 ASN 176 630 VAL 177 631 MET 178 632 LYS 179 633 ILE 180 634 ALA 181 635 ASP 182 636 PHE 183 637 GLY 184 638 LEU 185 639 ALA 186 640 ARG 187 641 ASP 188 642 VAL 189 643 HIS 190 644 ASN 191 645 LEU 192 646 ASP 193 647 TYR 194 648 TYR 195 649 LYS 196 650 LYS 197 651 THR 198 652 THR 199 653 ASN 200 654 GLY 201 655 ARG 202 656 LEU 203 657 PRO 204 658 VAL 205 659 LYS 206 660 TRP 207 661 MET 208 662 ALA 209 663 PRO 210 664 GLU 211 665 ALA 212 666 LEU 213 667 PHE 214 668 ASP 215 669 ARG 216 670 VAL 217 671 TYR 218 672 THR 219 673 HIS 220 674 GLN 221 675 SER 222 676 ASP 223 677 VAL 224 678 TRP 225 679 SER 226 680 PHE 227 681 GLY 228 682 VAL 229 683 LEU 230 684 LEU 231 685 TRP 232 686 GLU 233 687 ILE 234 688 PHE 235 689 THR 236 690 LEU 237 691 GLY 238 692 GLY 239 693 SER 240 694 PRO 241 695 TYR 242 696 PRO 243 697 GLY 244 698 ILE 245 699 PRO 246 700 VAL 247 701 GLU 248 702 GLU 249 703 LEU 250 704 PHE 251 705 LYS 252 706 LEU 253 707 LEU 254 708 LYS 255 709 GLU 256 710 GLY 257 711 HIS 258 712 ARG 259 713 MET 260 714 ASP 261 715 LYS 262 716 PRO 263 717 ALA 264 718 ASN 265 719 CYS 266 720 THR 267 721 HIS 268 722 ASP 269 723 LEU 270 724 TYR 271 725 MET 272 726 ILE 273 727 MET 274 728 ARG 275 729 GLU 276 730 CYS 277 731 TRP 278 732 HIS 279 733 ALA 280 734 ALA 281 735 PRO 282 736 SER 283 737 GLN 284 738 ARG 285 739 PRO 286 740 THR 287 741 PHE 288 742 LYS 289 743 GLN 290 744 LEU 291 745 VAL 292 746 GLU 293 747 ASP 294 748 LEU 295 749 ASP 296 750 ARG 297 751 VAL 298 752 LEU 299 753 THR 300 754 VAL 301 755 THR 302 756 SER 303 757 THR 304 758 ASP 305 759 GLU 306 760 TYR 307 761 LEU 308 762 ASP 309 763 LEU 310 764 SER 311 765 ALA 312 766 PRO 313 767 PHE 314 768 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FGFR3 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 $FGFR3 'recombinant technology' . Escherichia coli . pOPINS 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $FGFR3 0.150 mM 0.070 0.230 '[U-100% 13C; U-100% 15N]' PIPES-NaOH 50 mM . . 'natural abundance' NaCl 50 mM . . 'natural abundance' TCEP 2 mM . . 'natural abundance' EDTA 1 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _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 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7 . pH pressure 1 . atm temperature 298.2 . 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 _Correction_value DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 0 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 0 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 0 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' '3D HNCA' '3D HNCACB' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name FGFR3 _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 1 456 2 GLU C C 175.764 0.000 . 2 456 2 GLU CA C 56.035 0.000 . 3 456 2 GLU CB C 29.375 0.000 . 4 457 3 LEU H H 8.173 0.005 . 5 457 3 LEU C C 176.308 0.000 . 6 457 3 LEU CA C 54.772 0.000 . 7 457 3 LEU CB C 41.550 0.000 . 8 457 3 LEU N N 123.419 0.038 . 9 458 4 GLU H H 8.248 0.003 . 10 458 4 GLU C C 175.367 0.000 . 11 458 4 GLU CA C 55.354 0.000 . 12 458 4 GLU CB C 29.394 0.000 . 13 458 4 GLU N N 123.781 0.050 . 14 459 5 LEU H H 8.287 0.005 . 15 459 5 LEU CA C 52.011 0.000 . 16 459 5 LEU CB C 41.101 0.000 . 17 459 5 LEU N N 125.734 0.056 . 18 460 6 PRO C C 175.813 0.000 . 19 460 6 PRO CA C 61.846 0.000 . 20 460 6 PRO CB C 30.920 0.000 . 21 461 7 ALA H H 8.297 0.003 . 22 461 7 ALA CA C 51.416 0.000 . 23 461 7 ALA CB C 18.014 0.030 . 24 461 7 ALA N N 124.799 0.014 . 25 462 8 ASP H H 8.567 0.002 . 26 462 8 ASP CA C 50.673 0.000 . 27 462 8 ASP CB C 41.373 0.000 . 28 462 8 ASP N N 122.051 0.000 . 29 463 9 PRO C C 177.623 0.000 . 30 464 10 LYS H H 8.111 0.008 . 31 464 10 LYS C C 176.637 0.000 . 32 464 10 LYS CB C 31.350 0.000 . 33 464 10 LYS N N 118.055 0.074 . 34 465 11 TRP H H 7.189 0.002 . 35 465 11 TRP C C 175.142 0.000 . 36 465 11 TRP N N 115.429 0.036 . 37 466 12 GLU H H 7.527 0.001 . 38 466 12 GLU C C 175.758 0.000 . 39 466 12 GLU CA C 56.409 0.000 . 40 466 12 GLU CB C 28.476 0.000 . 41 466 12 GLU N N 122.305 0.012 . 42 467 13 LEU H H 8.824 0.001 . 43 467 13 LEU C C 175.848 0.000 . 44 467 13 LEU CA C 52.942 0.000 . 45 467 13 LEU CB C 43.621 0.000 . 46 467 13 LEU N N 131.483 0.052 . 47 468 14 SER H H 8.508 0.010 . 48 468 14 SER C C 176.510 0.000 . 49 468 14 SER CB C 63.000 0.063 . 50 468 14 SER N N 119.507 0.086 . 51 469 15 ARG H H 8.867 0.003 . 52 469 15 ARG C C 177.114 0.000 . 53 469 15 ARG CB C 28.243 0.000 . 54 469 15 ARG N N 128.372 0.091 . 55 470 16 ALA H H 7.896 0.007 . 56 470 16 ALA C C 178.563 0.000 . 57 470 16 ALA CA C 53.239 0.000 . 58 470 16 ALA CB C 17.352 0.034 . 59 470 16 ALA N N 121.152 0.060 . 60 471 17 ARG H H 7.611 0.008 . 61 471 17 ARG C C 173.813 0.000 . 62 471 17 ARG CA C 55.378 0.000 . 63 471 17 ARG CB C 29.049 0.000 . 64 471 17 ARG N N 115.912 0.045 . 65 472 18 LEU H H 7.326 0.002 . 66 472 18 LEU C C 175.391 0.000 . 67 472 18 LEU CA C 53.153 0.000 . 68 472 18 LEU N N 121.846 0.053 . 69 473 19 THR H H 8.655 0.008 . 70 473 19 THR C C 174.884 0.000 . 71 473 19 THR CA C 60.910 0.000 . 72 473 19 THR CB C 69.403 0.096 . 73 473 19 THR N N 121.172 0.059 . 74 474 20 LEU H H 9.004 0.003 . 75 474 20 LEU C C 176.563 0.000 . 76 474 20 LEU CA C 56.250 0.000 . 77 474 20 LEU CB C 40.919 0.000 . 78 474 20 LEU N N 130.084 0.146 . 79 475 21 GLY H H 8.747 0.004 . 80 475 21 GLY C C 173.046 0.000 . 81 475 21 GLY CA C 43.828 0.000 . 82 475 21 GLY N N 113.976 0.066 . 83 476 22 LYS H H 8.005 0.010 . 84 476 22 LYS CA C 54.436 0.000 . 85 476 22 LYS CB C 31.537 0.000 . 86 476 22 LYS N N 124.315 0.047 . 87 477 23 PRO C C 176.612 0.000 . 88 477 23 PRO CB C 31.728 0.000 . 89 478 24 LEU H H 8.966 0.004 . 90 478 24 LEU C C 177.298 0.000 . 91 478 24 LEU N N 122.750 0.047 . 92 479 25 GLY H H 7.898 0.006 . 93 479 25 GLY C C 172.278 0.000 . 94 479 25 GLY N N 108.143 0.035 . 95 480 26 GLU H H 8.287 0.002 . 96 480 26 GLU C C 175.932 0.000 . 97 480 26 GLU CB C 30.723 0.000 . 98 480 26 GLU N N 119.495 0.088 . 99 481 27 GLY H H 8.193 0.003 . 100 481 27 GLY N N 111.078 0.018 . 101 482 28 ALA C C 177.785 0.000 . 102 483 29 PHE H H 7.957 0.005 . 103 483 29 PHE C C 175.056 0.000 . 104 483 29 PHE CB C 39.344 0.000 . 105 483 29 PHE N N 114.150 0.047 . 106 484 30 GLY H H 7.493 0.011 . 107 484 30 GLY C C 171.778 0.000 . 108 484 30 GLY N N 109.155 0.061 . 109 485 31 GLN H H 8.578 0.005 . 110 485 31 GLN C C 173.427 0.000 . 111 485 31 GLN CB C 30.492 0.000 . 112 485 31 GLN N N 119.416 0.041 . 113 486 32 VAL H H 8.270 0.002 . 114 486 32 VAL C C 175.890 0.000 . 115 486 32 VAL CB C 32.914 0.000 . 116 486 32 VAL N N 121.991 0.033 . 117 487 33 VAL H H 8.976 0.003 . 118 487 33 VAL C C 174.277 0.000 . 119 487 33 VAL N N 124.601 0.011 . 120 488 34 MET H H 8.552 0.003 . 121 488 34 MET C C 177.208 0.000 . 122 488 34 MET N N 125.105 0.187 . 123 489 35 ALA H H 8.569 0.006 . 124 489 35 ALA C C 174.576 0.000 . 125 489 35 ALA CB C 24.415 0.106 . 126 489 35 ALA N N 122.285 0.063 . 127 490 36 GLU H H 7.880 0.003 . 128 490 36 GLU C C 175.198 0.000 . 129 490 36 GLU CB C 31.615 0.000 . 130 490 36 GLU N N 117.313 0.059 . 131 491 37 ALA H H 9.197 0.011 . 132 491 37 ALA C C 176.145 0.000 . 133 491 37 ALA CB C 21.313 0.034 . 134 491 37 ALA N N 128.114 0.112 . 135 492 38 ILE H H 8.423 0.009 . 136 492 38 ILE C C 176.372 0.000 . 137 492 38 ILE CB C 38.314 0.000 . 138 492 38 ILE N N 122.975 0.063 . 139 493 39 GLY H H 7.943 0.010 . 140 493 39 GLY C C 174.419 0.000 . 141 493 39 GLY N N 113.354 0.038 . 142 494 40 ILE H H 7.072 0.007 . 143 494 40 ILE C C 175.177 0.000 . 144 494 40 ILE CB C 37.417 0.003 . 145 494 40 ILE N N 116.587 0.069 . 146 495 41 ASP H H 8.110 0.003 . 147 495 41 ASP C C 176.728 0.000 . 148 495 41 ASP CB C 40.663 0.026 . 149 495 41 ASP N N 121.621 0.069 . 150 496 42 LYS H H 8.399 0.004 . 151 496 42 LYS C C 177.131 0.000 . 152 496 42 LYS CB C 30.618 0.001 . 153 496 42 LYS N N 123.387 0.075 . 154 497 43 ASP H H 8.131 0.008 . 155 497 43 ASP C C 176.029 0.000 . 156 497 43 ASP CB C 40.604 0.063 . 157 497 43 ASP N N 118.076 0.043 . 158 498 44 ARG H H 7.776 0.005 . 159 498 44 ARG C C 176.043 0.000 . 160 498 44 ARG CB C 29.211 0.010 . 161 498 44 ARG N N 122.408 0.090 . 162 499 45 ALA H H 8.137 0.004 . 163 499 45 ALA C C 177.410 0.000 . 164 499 45 ALA CB C 17.971 0.000 . 165 499 45 ALA N N 124.507 0.045 . 166 500 46 ALA H H 8.160 0.000 . 167 500 46 ALA C C 176.865 0.000 . 168 500 46 ALA CB C 18.030 0.000 . 169 500 46 ALA N N 119.092 0.093 . 170 501 47 LYS H H 7.655 0.001 . 171 501 47 LYS CB C 32.693 0.000 . 172 501 47 LYS N N 120.988 0.054 . 173 502 48 PRO C C 175.895 0.000 . 174 502 48 PRO CB C 31.120 0.000 . 175 503 49 VAL H H 8.512 0.003 . 176 503 49 VAL C C 175.206 0.000 . 177 503 49 VAL CB C 34.441 0.054 . 178 503 49 VAL N N 123.983 0.097 . 179 504 50 THR H H 8.528 0.003 . 180 504 50 THR C C 173.746 0.000 . 181 504 50 THR CB C 67.751 0.000 . 182 504 50 THR N N 124.696 0.178 . 183 505 51 VAL H H 9.003 0.005 . 184 505 51 VAL C C 174.328 0.000 . 185 505 51 VAL CB C 33.742 0.000 . 186 505 51 VAL N N 121.117 0.060 . 187 506 52 ALA H H 8.557 0.003 . 188 506 52 ALA C C 175.138 0.000 . 189 506 52 ALA CB C 19.966 0.000 . 190 506 52 ALA N N 122.123 0.046 . 191 507 53 VAL H H 9.172 0.000 . 192 507 53 VAL C C 175.300 0.000 . 193 507 53 VAL N N 121.577 0.000 . 194 508 54 LYS H H 9.367 0.007 . 195 508 54 LYS C C 174.703 0.000 . 196 508 54 LYS CB C 32.468 0.088 . 197 508 54 LYS N N 126.943 0.124 . 198 509 55 MET H H 8.468 0.007 . 199 509 55 MET C C 173.874 0.000 . 200 509 55 MET CB C 35.972 0.065 . 201 509 55 MET N N 118.907 0.034 . 202 510 56 LEU H H 8.989 0.005 . 203 510 56 LEU C C 178.670 0.000 . 204 510 56 LEU CA C 53.804 0.000 . 205 510 56 LEU CB C 41.338 0.028 . 206 510 56 LEU N N 119.948 0.089 . 207 511 57 LYS H H 8.571 0.007 . 208 511 57 LYS C C 177.169 0.000 . 209 511 57 LYS CB C 32.697 0.000 . 210 511 57 LYS N N 120.503 0.040 . 211 512 58 ASP H H 8.597 0.004 . 212 512 58 ASP C C 176.215 0.000 . 213 512 58 ASP CB C 39.758 0.050 . 214 512 58 ASP N N 120.707 0.098 . 215 513 59 ASP H H 8.258 0.003 . 216 513 59 ASP C C 175.346 0.000 . 217 513 59 ASP CB C 38.505 0.016 . 218 513 59 ASP N N 116.887 0.062 . 219 514 60 ALA H H 7.147 0.006 . 220 514 60 ALA C C 177.915 0.000 . 221 514 60 ALA CB C 20.909 0.047 . 222 514 60 ALA N N 121.971 0.042 . 223 515 61 THR H H 9.107 0.015 . 224 515 61 THR C C 175.392 0.000 . 225 515 61 THR CB C 71.818 0.000 . 226 515 61 THR N N 112.493 0.046 . 227 516 62 ASP H H 8.735 0.005 . 228 516 62 ASP CB C 39.309 0.000 . 229 516 62 ASP N N 120.891 0.076 . 230 517 63 LYS H H 7.757 0.000 . 231 517 63 LYS C C 177.358 0.000 . 232 517 63 LYS CA C 57.885 0.000 . 233 517 63 LYS N N 121.003 0.000 . 234 518 64 ASP H H 7.373 0.001 . 235 518 64 ASP C C 178.299 0.000 . 236 518 64 ASP CA C 57.425 0.000 . 237 518 64 ASP CB C 40.279 0.000 . 238 518 64 ASP N N 119.971 0.028 . 239 519 65 LEU H H 7.512 0.003 . 240 519 65 LEU C C 177.471 0.000 . 241 519 65 LEU CA C 58.107 0.000 . 242 519 65 LEU CB C 39.640 0.000 . 243 519 65 LEU N N 120.307 0.030 . 244 520 66 SER H H 8.030 0.005 . 245 520 66 SER C C 177.336 0.000 . 246 520 66 SER CA C 61.368 0.000 . 247 520 66 SER N N 114.374 0.032 . 248 521 67 ASP H H 8.427 0.005 . 249 521 67 ASP C C 178.379 0.000 . 250 521 67 ASP CA C 57.040 0.000 . 251 521 67 ASP CB C 38.680 0.000 . 252 521 67 ASP N N 123.198 0.130 . 253 522 68 LEU H H 7.744 0.009 . 254 522 68 LEU C C 178.350 0.000 . 255 522 68 LEU CA C 57.565 0.000 . 256 522 68 LEU CB C 40.236 0.039 . 257 522 68 LEU N N 125.512 0.034 . 258 523 69 VAL H H 8.462 0.005 . 259 523 69 VAL C C 177.618 0.000 . 260 523 69 VAL CB C 30.940 0.000 . 261 523 69 VAL N N 120.265 0.043 . 262 524 70 SER H H 8.416 0.005 . 263 524 70 SER C C 176.727 0.000 . 264 524 70 SER CB C 62.235 0.000 . 265 524 70 SER N N 114.498 0.073 . 266 525 71 GLU H H 7.760 0.006 . 267 525 71 GLU C C 178.046 0.000 . 268 525 71 GLU CB C 28.010 0.000 . 269 525 71 GLU N N 124.622 0.124 . 270 526 72 MET H H 8.035 0.004 . 271 526 72 MET C C 177.092 0.000 . 272 526 72 MET CA C 59.464 0.000 . 273 526 72 MET CB C 31.186 0.000 . 274 526 72 MET N N 120.264 0.002 . 275 527 73 GLU H H 8.748 0.001 . 276 527 73 GLU C C 179.630 0.000 . 277 527 73 GLU CA C 58.567 0.000 . 278 527 73 GLU CB C 28.193 0.000 . 279 527 73 GLU N N 117.437 0.095 . 280 528 74 MET H H 8.387 0.002 . 281 528 74 MET C C 178.820 0.000 . 282 528 74 MET CB C 30.314 0.000 . 283 528 74 MET N N 121.688 0.041 . 284 529 75 MET H H 8.221 0.001 . 285 529 75 MET C C 179.805 0.000 . 286 529 75 MET CB C 33.913 0.000 . 287 529 75 MET N N 117.799 0.118 . 288 530 76 LYS H H 7.751 0.000 . 289 530 76 LYS C C 174.285 0.000 . 290 530 76 LYS CB C 32.508 0.000 . 291 530 76 LYS N N 119.475 0.000 . 292 531 77 MET H H 7.411 0.003 . 293 531 77 MET C C 178.148 0.000 . 294 531 77 MET CB C 32.230 0.000 . 295 531 77 MET N N 117.277 0.033 . 296 532 78 ILE H H 8.109 0.008 . 297 532 78 ILE C C 176.567 0.000 . 298 532 78 ILE CB C 38.403 0.000 . 299 532 78 ILE N N 120.378 0.060 . 300 533 79 GLY H H 7.225 0.002 . 301 533 79 GLY C C 171.569 0.000 . 302 533 79 GLY N N 106.767 0.086 . 303 534 80 LYS H H 7.662 0.002 . 304 534 80 LYS C C 176.272 0.000 . 305 534 80 LYS CB C 34.297 0.000 . 306 534 80 LYS N N 116.383 0.033 . 307 535 81 HIS H H 7.774 0.001 . 308 535 81 HIS C C 174.467 0.000 . 309 535 81 HIS CB C 33.713 0.061 . 310 535 81 HIS N N 119.190 0.019 . 311 536 82 LYS H H 7.418 0.003 . 312 536 82 LYS C C 177.272 0.000 . 313 536 82 LYS CA C 58.898 0.000 . 314 536 82 LYS CB C 32.241 0.000 . 315 536 82 LYS N N 127.879 0.074 . 316 537 83 ASN H H 11.191 0.000 . 317 537 83 ASN C C 174.072 0.000 . 318 537 83 ASN CA C 54.564 0.000 . 319 537 83 ASN CB C 39.852 0.000 . 320 537 83 ASN N N 118.835 0.000 . 321 538 84 ILE H H 7.321 0.006 . 322 538 84 ILE C C 173.637 0.000 . 323 538 84 ILE CA C 59.216 0.000 . 324 538 84 ILE CB C 39.419 0.073 . 325 538 84 ILE N N 111.900 0.043 . 326 539 85 ILE H H 7.986 0.007 . 327 539 85 ILE C C 174.846 0.000 . 328 539 85 ILE CA C 57.929 0.000 . 329 539 85 ILE CB C 34.681 0.000 . 330 539 85 ILE N N 120.351 0.032 . 331 540 86 ASN H H 8.774 0.012 . 332 540 86 ASN C C 175.235 0.000 . 333 540 86 ASN CA C 53.449 0.000 . 334 540 86 ASN CB C 39.961 0.000 . 335 540 86 ASN N N 125.360 0.092 . 336 541 87 LEU H H 8.169 0.004 . 337 541 87 LEU C C 175.420 0.000 . 338 541 87 LEU CA C 54.705 0.000 . 339 541 87 LEU CB C 41.741 0.000 . 340 541 87 LEU N N 120.844 0.026 . 341 542 88 LEU H H 9.306 0.014 . 342 542 88 LEU C C 177.566 0.000 . 343 542 88 LEU CA C 53.917 0.000 . 344 542 88 LEU N N 123.739 0.027 . 345 543 89 GLY H H 7.852 0.007 . 346 543 89 GLY C C 171.45 0.000 . 347 543 89 GLY CA C 45.417 0.000 . 348 543 89 GLY N N 104.884 0.074 . 349 544 90 ALA H H 8.589 0.001 . 350 544 90 ALA C C 174.623 0.000 . 351 544 90 ALA CA C 51.348 0.000 . 352 544 90 ALA CB C 22.618 0.018 . 353 544 90 ALA N N 121.234 0.050 . 354 545 91 CYS H H 9.109 0.012 . 355 545 91 CYS C C 174.298 0.000 . 356 545 91 CYS CA C 56.450 0.000 . 357 545 91 CYS CB C 28.348 0.000 . 358 545 91 CYS N N 119.278 0.060 . 359 546 92 THR H H 10.349 0.002 . 360 546 92 THR C C 174.898 0.000 . 361 546 92 THR CA C 61.643 0.000 . 362 546 92 THR CB C 69.777 0.000 . 363 546 92 THR N N 116.081 0.051 . 364 547 93 GLN H H 7.452 0.008 . 365 547 93 GLN C C 175.335 0.000 . 366 547 93 GLN CA C 53.477 0.000 . 367 547 93 GLN CB C 29.906 0.000 . 368 547 93 GLN N N 120.825 0.048 . 369 548 94 GLY H H 7.863 0.001 . 370 548 94 GLY C C 173.386 0.000 . 371 548 94 GLY N N 110.217 0.005 . 372 549 95 GLY H H 7.289 0.003 . 373 549 95 GLY N N 106.883 0.054 . 374 550 96 PRO C C 175.648 0.000 . 375 550 96 PRO CA C 61.580 0.000 . 376 550 96 PRO CB C 31.546 0.000 . 377 551 97 LEU H H 7.991 0.006 . 378 551 97 LEU C C 175.361 0.000 . 379 551 97 LEU CA C 55.312 0.000 . 380 551 97 LEU CB C 40.666 0.000 . 381 551 97 LEU N N 124.308 0.063 . 382 552 98 TYR C C 174.905 0.000 . 383 552 98 TYR CB C 40.041 0.015 . 384 553 99 VAL H H 8.910 0.010 . 385 553 99 VAL C C 173.809 0.000 . 386 553 99 VAL CA C 62.241 0.000 . 387 553 99 VAL CB C 32.613 0.000 . 388 553 99 VAL N N 123.855 0.041 . 389 554 100 LEU H H 8.690 0.002 . 390 554 100 LEU C C 175.298 0.000 . 391 554 100 LEU CA C 54.583 0.000 . 392 554 100 LEU CB C 41.420 0.000 . 393 554 100 LEU N N 128.045 0.152 . 394 555 101 VAL H H 9.433 0.007 . 395 555 101 VAL C C 174.258 0.000 . 396 555 101 VAL N N 117.354 0.043 . 397 556 102 GLU C C 174.019 0.000 . 398 556 102 GLU CB C 30.996 0.000 . 399 557 103 TYR H H 8.351 0.006 . 400 557 103 TYR C C 173.997 0.000 . 401 557 103 TYR CB C 39.660 0.000 . 402 557 103 TYR N N 119.294 0.103 . 403 558 104 ALA H H 8.607 0.016 . 404 558 104 ALA CB C 19.309 0.000 . 405 558 104 ALA N N 134.330 0.000 . 406 560 106 LYS C C 176.043 0.000 . 407 561 107 GLY H H 7.054 0.003 . 408 561 107 GLY C C 172.231 0.000 . 409 561 107 GLY N N 105.559 0.036 . 410 562 108 ASN H H 8.181 0.019 . 411 562 108 ASN C C 175.238 0.000 . 412 562 108 ASN CB C 40.172 0.000 . 413 562 108 ASN N N 116.870 0.058 . 414 573 119 PRO C C 177.159 0.000 . 415 573 119 PRO CA C 62.638 0.000 . 416 573 119 PRO CB C 31.466 0.000 . 417 574 120 GLY H H 8.133 0.010 . 418 574 120 GLY C C 174.107 0.000 . 419 574 120 GLY CA C 44.436 0.000 . 420 574 120 GLY N N 108.570 0.104 . 421 575 121 LEU H H 8.171 0.003 . 422 575 121 LEU C C 177.090 0.000 . 423 575 121 LEU CA C 55.475 0.000 . 424 575 121 LEU CB C 40.684 0.000 . 425 575 121 LEU N N 121.479 0.098 . 426 576 122 ASP H H 8.265 0.005 . 427 576 122 ASP C C 175.488 0.000 . 428 576 122 ASP CA C 53.657 0.000 . 429 576 122 ASP CB C 39.934 0.000 . 430 576 122 ASP N N 118.729 0.028 . 431 577 123 TYR H H 7.774 0.005 . 432 577 123 TYR C C 175.288 0.000 . 433 577 123 TYR CB C 37.927 0.000 . 434 577 123 TYR N N 121.028 0.039 . 435 578 124 SER H H 7.934 0.002 . 436 578 124 SER C C 173.678 0.000 . 437 578 124 SER CB C 63.238 0.009 . 438 578 124 SER N N 118.264 0.112 . 439 579 125 PHE H H 7.975 0.005 . 440 579 125 PHE CB C 38.655 0.000 . 441 579 125 PHE N N 122.634 0.096 . 442 585 131 PRO C C 176.983 0.000 . 443 585 131 PRO CB C 31.081 0.000 . 444 586 132 GLU H H 8.422 0.002 . 445 586 132 GLU C C 176.191 0.000 . 446 586 132 GLU CB C 29.542 0.044 . 447 586 132 GLU N N 120.818 0.016 . 448 587 133 GLU H H 8.048 0.016 . 449 587 133 GLU CB C 29.716 0.000 . 450 587 133 GLU N N 119.659 0.058 . 451 588 134 GLN C C 176.101 0.000 . 452 588 134 GLN CB C 29.688 0.000 . 453 589 135 LEU H H 8.527 0.005 . 454 589 135 LEU C C 176.101 0.000 . 455 589 135 LEU CB C 42.784 0.000 . 456 589 135 LEU N N 123.564 0.023 . 457 590 136 THR H H 8.998 0.012 . 458 590 136 THR C C 175.233 0.000 . 459 590 136 THR CB C 72.128 0.000 . 460 590 136 THR N N 112.326 0.018 . 461 591 137 PHE H H 9.440 0.002 . 462 591 137 PHE C C 176.689 0.000 . 463 591 137 PHE N N 121.987 0.004 . 464 592 138 LYS H H 8.131 0.003 . 465 592 138 LYS CB C 30.948 0.000 . 466 592 138 LYS N N 117.350 0.060 . 467 593 139 ASP H H 7.492 0.000 . 468 593 139 ASP C C 178.914 0.000 . 469 593 139 ASP N N 118.782 0.000 . 470 594 140 LEU H H 7.434 0.000 . 471 594 140 LEU C C 178.409 0.000 . 472 594 140 LEU N N 119.601 0.000 . 473 595 141 VAL H H 7.613 0.002 . 474 595 141 VAL CB C 30.001 0.000 . 475 595 141 VAL N N 118.581 0.051 . 476 609 155 ALA H H 9.172 0.000 . 477 609 155 ALA C C 181.461 0.000 . 478 609 155 ALA CB C 15.564 0.000 . 479 609 155 ALA N N 122.314 0.000 . 480 610 156 SER H H 7.839 0.002 . 481 610 156 SER C C 174.810 0.000 . 482 610 156 SER CB C 61.907 0.066 . 483 610 156 SER N N 117.779 0.035 . 484 611 157 GLN H H 7.071 0.004 . 485 611 157 GLN C C 174.348 0.000 . 486 611 157 GLN CB C 27.221 0.000 . 487 611 157 GLN N N 120.315 0.066 . 488 612 158 LYS H H 7.838 0.002 . 489 612 158 LYS C C 175.247 0.000 . 490 612 158 LYS CB C 27.290 0.000 . 491 612 158 LYS N N 113.036 0.075 . 492 613 159 CYS H H 8.168 0.000 . 493 613 159 CYS C C 172.927 0.000 . 494 613 159 CYS N N 120.608 0.000 . 495 614 160 ILE H H 8.267 0.000 . 496 614 160 ILE C C 175.598 0.000 . 497 614 160 ILE CB C 38.111 0.000 . 498 614 160 ILE N N 131.905 0.000 . 499 615 161 HIS H H 11.490 0.000 . 500 615 161 HIS N N 106.818 0.000 . 501 617 163 ASP C C 173.726 0.000 . 502 618 164 LEU H H 9.264 0.011 . 503 618 164 LEU CB C 40.128 0.000 . 504 618 164 LEU N N 126.008 0.043 . 505 619 165 ALA H H 6.297 0.000 . 506 619 165 ALA C C 177.466 0.000 . 507 619 165 ALA N N 122.986 0.000 . 508 620 166 ALA H H 10.532 0.000 . 509 620 166 ALA N N 127.507 0.000 . 510 621 167 ARG H H 8.923 0.000 . 511 621 167 ARG N N 114.638 0.000 . 512 626 172 THR C C 175.147 0.000 . 513 627 173 GLU H H 8.491 0.002 . 514 627 173 GLU C C 174.933 0.000 . 515 627 173 GLU CB C 28.850 0.000 . 516 627 173 GLU N N 117.550 0.020 . 517 628 174 ASP H H 7.760 0.013 . 518 628 174 ASP C C 173.887 0.000 . 519 628 174 ASP CB C 38.953 0.000 . 520 628 174 ASP N N 114.561 0.016 . 521 629 175 ASN H H 7.879 0.008 . 522 629 175 ASN C C 173.175 0.000 . 523 629 175 ASN CB C 34.344 0.000 . 524 629 175 ASN N N 115.684 0.075 . 525 630 176 VAL H H 7.470 0.004 . 526 630 176 VAL C C 175.998 0.000 . 527 630 176 VAL CB C 30.813 0.000 . 528 630 176 VAL N N 119.763 0.111 . 529 631 177 MET H H 7.580 0.003 . 530 631 177 MET C C 175.955 0.000 . 531 631 177 MET CB C 31.937 0.000 . 532 631 177 MET N N 123.057 0.117 . 533 632 178 LYS H H 9.242 0.008 . 534 632 178 LYS C C 174.680 0.000 . 535 632 178 LYS N N 121.771 0.078 . 536 633 179 ILE H H 8.600 0.006 . 537 633 179 ILE C C 173.451 0.000 . 538 633 179 ILE CB C 35.787 0.000 . 539 633 179 ILE N N 126.128 0.183 . 540 634 180 ALA H H 8.744 0.003 . 541 634 180 ALA C C 176.723 0.000 . 542 634 180 ALA CB C 21.705 0.000 . 543 634 180 ALA N N 129.696 0.116 . 544 635 181 ASP H H 8.871 0.008 . 545 635 181 ASP C C 174.579 0.000 . 546 635 181 ASP CB C 37.055 0.000 . 547 635 181 ASP N N 115.465 0.085 . 548 636 182 PHE H H 6.632 0.006 . 549 636 182 PHE C C 174.573 0.000 . 550 636 182 PHE CB C 39.169 0.000 . 551 636 182 PHE N N 112.698 0.067 . 552 637 183 GLY C C 172.363 0.000 . 553 637 183 GLY N N 109.797 0.000 . 554 638 184 LEU H H 6.539 0.003 . 555 638 184 LEU C C 176.148 0.000 . 556 638 184 LEU CB C 41.283 0.000 . 557 638 184 LEU N N 118.883 0.028 . 558 639 185 ALA H H 8.265 0.004 . 559 639 185 ALA CB C 17.503 0.000 . 560 639 185 ALA N N 126.492 0.081 . 561 660 206 TRP C C 175.005 0.000 . 562 661 207 MET H H 7.339 0.003 . 563 661 207 MET C C 174.047 0.000 . 564 661 207 MET CB C 34.648 0.000 . 565 661 207 MET N N 121.324 0.075 . 566 662 208 ALA H H 7.980 0.008 . 567 662 208 ALA CB C 17.547 0.000 . 568 662 208 ALA N N 125.074 0.155 . 569 663 209 PRO C C 176.580 0.000 . 570 663 209 PRO CB C 30.141 0.000 . 571 664 210 GLU H H 9.233 0.003 . 572 664 210 GLU C C 177.538 0.000 . 573 664 210 GLU CB C 25.442 0.000 . 574 664 210 GLU N N 114.927 0.031 . 575 665 211 ALA H H 6.785 0.000 . 576 665 211 ALA C C 178.415 0.000 . 577 665 211 ALA N N 126.510 0.000 . 578 666 212 LEU H H 7.184 0.003 . 579 666 212 LEU C C 177.833 0.000 . 580 666 212 LEU N N 119.409 0.033 . 581 667 213 PHE H H 8.244 0.005 . 582 667 213 PHE C C 177.128 0.000 . 583 667 213 PHE N N 114.727 0.066 . 584 668 214 ASP H H 7.225 0.001 . 585 668 214 ASP C C 175.184 0.000 . 586 668 214 ASP N N 115.762 0.072 . 587 669 215 ARG H H 7.139 0.002 . 588 669 215 ARG C C 174.361 0.000 . 589 669 215 ARG N N 114.602 0.026 . 590 670 216 VAL H H 7.234 0.002 . 591 670 216 VAL C C 173.275 0.000 . 592 670 216 VAL N N 119.756 0.045 . 593 671 217 TYR H H 7.945 0.004 . 594 671 217 TYR C C 175.870 0.000 . 595 671 217 TYR CB C 39.650 0.000 . 596 671 217 TYR N N 123.649 0.124 . 597 672 218 THR H H 9.490 0.016 . 598 672 218 THR C C 175.870 0.000 . 599 672 218 THR CB C 73.664 0.000 . 600 672 218 THR N N 113.696 0.065 . 601 673 219 HIS H H 7.657 0.000 . 602 673 219 HIS N N 114.591 0.000 . 603 675 221 SER C C 178.347 0.000 . 604 676 222 ASP H H 7.681 0.009 . 605 676 222 ASP C C 178.720 0.000 . 606 676 222 ASP CB C 39.672 0.000 . 607 676 222 ASP N N 126.086 0.124 . 608 677 223 VAL H H 7.731 0.007 . 609 677 223 VAL C C 176.168 0.000 . 610 677 223 VAL CB C 30.385 0.000 . 611 677 223 VAL N N 123.168 0.071 . 612 678 224 TRP H H 7.126 0.000 . 613 678 224 TRP C C 176.988 0.000 . 614 678 224 TRP N N 121.285 0.000 . 615 679 225 SER H H 8.379 0.013 . 616 679 225 SER CB C 63.515 0.000 . 617 679 225 SER N N 116.210 0.026 . 618 680 226 PHE H H 9.268 0.007 . 619 680 226 PHE N N 123.279 0.104 . 620 681 227 GLY H H 8.426 0.019 . 621 681 227 GLY N N 108.079 0.015 . 622 684 230 LEU H H 8.788 0.001 . 623 684 230 LEU N N 120.751 0.041 . 624 690 236 LEU C C 175.734 0.000 . 625 691 237 GLY H H 9.285 0.004 . 626 691 237 GLY C C 175.405 0.000 . 627 691 237 GLY CA C 45.255 0.000 . 628 691 237 GLY N N 105.045 0.011 . 629 692 238 GLY H H 7.803 0.002 . 630 692 238 GLY C C 173.454 0.000 . 631 692 238 GLY N N 110.106 0.017 . 632 693 239 SER H H 8.480 0.003 . 633 693 239 SER CB C 62.814 0.000 . 634 693 239 SER N N 117.947 0.074 . 635 694 240 PRO C C 174.524 0.000 . 636 694 240 PRO CB C 32.025 0.000 . 637 695 241 TYR H H 7.011 0.019 . 638 695 241 TYR CB C 35.905 0.000 . 639 695 241 TYR N N 115.412 0.040 . 640 696 242 PRO C C 175.964 0.000 . 641 697 243 GLY H H 9.425 0.010 . 642 697 243 GLY C C 173.898 0.000 . 643 697 243 GLY N N 105.900 0.045 . 644 698 244 ILE H H 7.226 0.011 . 645 698 244 ILE CB C 37.301 0.000 . 646 698 244 ILE N N 121.748 0.007 . 647 699 245 PRO C C 178.252 0.000 . 648 699 245 PRO CA C 61.863 0.000 . 649 699 245 PRO CB C 31.708 0.000 . 650 700 246 VAL H H 8.564 0.004 . 651 700 246 VAL C C 176.324 0.000 . 652 700 246 VAL CA C 66.176 0.000 . 653 700 246 VAL CB C 30.465 0.000 . 654 700 246 VAL N N 122.743 0.090 . 655 701 247 GLU H H 9.109 0.009 . 656 701 247 GLU C C 178.343 0.000 . 657 701 247 GLU CA C 59.093 0.000 . 658 701 247 GLU CB C 27.689 0.000 . 659 701 247 GLU N N 117.378 0.059 . 660 702 248 GLU H H 7.185 0.006 . 661 702 248 GLU C C 177.010 0.000 . 662 702 248 GLU CA C 56.359 0.000 . 663 702 248 GLU CB C 29.362 0.000 . 664 702 248 GLU N N 117.720 0.118 . 665 703 249 LEU H H 7.499 0.008 . 666 703 249 LEU C C 173.885 0.000 . 667 703 249 LEU CA C 57.754 0.000 . 668 703 249 LEU N N 121.058 0.053 . 669 704 250 PHE H H 7.895 0.008 . 670 704 250 PHE C C 178.452 0.000 . 671 704 250 PHE CB C 34.316 0.000 . 672 704 250 PHE N N 115.644 0.128 . 673 705 251 LYS H H 7.382 0.002 . 674 705 251 LYS C C 178.511 0.000 . 675 705 251 LYS CB C 31.241 0.000 . 676 705 251 LYS N N 119.709 0.000 . 677 706 252 LEU H H 7.810 0.004 . 678 706 252 LEU C C 180.086 0.000 . 679 706 252 LEU N N 119.470 0.006 . 680 707 253 LEU H H 8.618 0.002 . 681 707 253 LEU C C 182.219 0.000 . 682 707 253 LEU CB C 41.494 0.000 . 683 707 253 LEU N N 118.945 0.069 . 684 708 254 LYS H H 7.920 0.008 . 685 708 254 LYS C C 177.893 0.000 . 686 708 254 LYS CB C 31.186 0.000 . 687 708 254 LYS N N 122.043 0.154 . 688 709 255 GLU H H 7.556 0.001 . 689 709 255 GLU C C 176.480 0.000 . 690 709 255 GLU CB C 28.744 0.000 . 691 709 255 GLU N N 117.253 0.062 . 692 710 256 GLY H H 7.536 0.001 . 693 710 256 GLY C C 175.708 0.000 . 694 710 256 GLY CA C 44.564 0.000 . 695 710 256 GLY N N 105.588 0.007 . 696 711 257 HIS H H 8.114 0.006 . 697 711 257 HIS C C 175.019 0.000 . 698 711 257 HIS CB C 31.572 0.000 . 699 711 257 HIS N N 122.685 0.123 . 700 712 258 ARG H H 7.410 0.006 . 701 712 258 ARG C C 174.643 0.000 . 702 712 258 ARG CB C 33.110 0.000 . 703 712 258 ARG N N 123.353 0.067 . 704 713 259 MET H H 7.227 0.000 . 705 713 259 MET C C 175.584 0.000 . 706 713 259 MET N N 118.386 0.000 . 707 714 260 ASP H H 8.414 0.003 . 708 714 260 ASP C C 174.769 0.000 . 709 714 260 ASP CB C 41.705 0.000 . 710 714 260 ASP N N 120.517 0.003 . 711 715 261 LYS H H 8.058 0.006 . 712 715 261 LYS CB C 31.032 0.000 . 713 715 261 LYS N N 122.541 0.067 . 714 717 263 ALA C C 178.769 0.000 . 715 718 264 ASN H H 8.398 0.002 . 716 718 264 ASN C C 171.753 0.000 . 717 718 264 ASN N N 112.223 0.037 . 718 719 265 CYS H H 7.273 0.005 . 719 719 265 CYS C C 172.878 0.000 . 720 719 265 CYS CB C 29.341 0.000 . 721 719 265 CYS N N 115.085 0.123 . 722 720 266 THR H H 6.356 0.006 . 723 720 266 THR C C 176.985 0.000 . 724 720 266 THR CB C 70.112 0.000 . 725 720 266 THR N N 115.214 0.088 . 726 721 267 HIS H H 7.141 0.006 . 727 721 267 HIS C C 176.257 0.000 . 728 721 267 HIS N N 119.353 0.039 . 729 722 268 ASP H H 8.142 0.010 . 730 722 268 ASP N N 120.152 0.137 . 731 731 277 TRP H H 6.570 0.000 . 732 731 277 TRP N N 111.857 0.000 . 733 735 281 PRO C C 178.348 0.000 . 734 735 281 PRO CB C 31.705 0.000 . 735 736 282 SER H H 8.032 0.006 . 736 736 282 SER C C 175.032 0.000 . 737 736 282 SER CB C 62.114 0.000 . 738 736 282 SER N N 108.513 0.017 . 739 737 283 GLN H H 7.675 0.003 . 740 737 283 GLN C C 175.972 0.000 . 741 737 283 GLN CB C 28.188 0.000 . 742 737 283 GLN N N 119.816 0.037 . 743 738 284 ARG H H 7.002 0.000 . 744 738 284 ARG CB C 28.755 0.000 . 745 738 284 ARG N N 120.363 0.020 . 746 739 285 PRO C C 175.219 0.000 . 747 739 285 PRO CA C 61.716 0.000 . 748 740 286 THR H H 7.451 0.004 . 749 740 286 THR C C 176.546 0.000 . 750 740 286 THR CA C 59.369 0.000 . 751 740 286 THR CB C 70.923 0.000 . 752 740 286 THR N N 106.803 0.044 . 753 741 287 PHE H H 8.549 0.011 . 754 741 287 PHE C C 177.004 0.000 . 755 741 287 PHE CA C 63.550 0.000 . 756 741 287 PHE CB C 36.652 0.000 . 757 741 287 PHE N N 117.853 0.168 . 758 742 288 LYS H H 8.099 0.001 . 759 742 288 LYS C C 177.297 0.000 . 760 742 288 LYS CA C 59.359 0.000 . 761 742 288 LYS CB C 31.965 0.000 . 762 742 288 LYS N N 119.197 0.108 . 763 743 289 GLN H H 7.375 0.001 . 764 743 289 GLN CA C 57.883 0.000 . 765 743 289 GLN CB C 27.895 0.000 . 766 743 289 GLN N N 119.678 0.018 . 767 749 295 ASP C C 178.763 0.000 . 768 750 296 ARG H H 7.672 0.003 . 769 750 296 ARG C C 178.767 0.000 . 770 750 296 ARG CB C 27.769 0.000 . 771 750 296 ARG N N 119.676 0.103 . 772 751 297 VAL H H 7.531 0.006 . 773 751 297 VAL C C 178.726 0.000 . 774 751 297 VAL CB C 30.438 0.000 . 775 751 297 VAL N N 118.822 0.086 . 776 752 298 LEU H H 8.339 0.004 . 777 752 298 LEU C C 178.746 0.000 . 778 752 298 LEU CB C 40.879 0.000 . 779 752 298 LEU N N 122.057 0.050 . 780 753 299 THR H H 8.153 0.001 . 781 753 299 THR C C 175.085 0.000 . 782 753 299 THR N N 113.856 0.005 . 783 754 300 VAL H H 7.885 0.002 . 784 754 300 VAL C C 177.302 0.000 . 785 754 300 VAL CB C 31.243 0.000 . 786 754 300 VAL N N 120.101 0.069 . 787 755 301 THR H H 7.946 0.004 . 788 755 301 THR CB C 68.662 0.000 . 789 755 301 THR N N 116.626 0.027 . 790 756 302 SER C C 175.008 0.000 . 791 757 303 THR H H 7.929 0.004 . 792 757 303 THR C C 174.554 0.000 . 793 757 303 THR CB C 68.663 0.000 . 794 757 303 THR N N 114.409 0.061 . 795 758 304 ASP H H 7.973 0.003 . 796 758 304 ASP C C 175.733 0.000 . 797 758 304 ASP CB C 40.720 0.000 . 798 758 304 ASP N N 121.493 0.034 . 799 759 305 GLU H H 7.965 0.005 . 800 759 305 GLU C C 175.745 0.000 . 801 759 305 GLU CA C 55.880 0.000 . 802 759 305 GLU CB C 29.316 0.000 . 803 759 305 GLU N N 119.673 0.054 . 804 760 306 TYR H H 7.737 0.009 . 805 760 306 TYR C C 175.042 0.000 . 806 760 306 TYR CA C 56.762 0.000 . 807 760 306 TYR CB C 38.058 0.000 . 808 760 306 TYR N N 121.070 0.041 . 809 761 307 LEU H H 7.404 0.006 . 810 761 307 LEU C C 176.140 0.000 . 811 761 307 LEU CA C 54.378 0.000 . 812 761 307 LEU CB C 41.578 0.000 . 813 761 307 LEU N N 122.927 0.126 . 814 762 308 ASP H H 8.236 0.002 . 815 762 308 ASP C C 175.616 0.000 . 816 762 308 ASP CA C 53.704 0.000 . 817 762 308 ASP CB C 40.902 0.000 . 818 762 308 ASP N N 122.166 0.090 . 819 763 309 LEU H H 8.323 0.005 . 820 763 309 LEU C C 176.846 0.000 . 821 763 309 LEU CA C 54.302 0.000 . 822 763 309 LEU N N 122.778 0.120 . 823 764 310 SER H H 8.591 0.005 . 824 764 310 SER C C 171.643 0.000 . 825 764 310 SER CA C 56.762 0.000 . 826 764 310 SER CB C 65.432 0.000 . 827 764 310 SER N N 116.381 0.027 . 828 765 311 ALA H H 8.171 0.005 . 829 765 311 ALA CB C 16.519 0.000 . 830 765 311 ALA N N 127.138 0.031 . 831 766 312 PRO C C 176.455 0.000 . 832 766 312 PRO CB C 31.072 0.000 . 833 767 313 PHE H H 8.201 0.009 . 834 767 313 PHE CB C 38.807 0.000 . 835 767 313 PHE N N 121.160 0.054 . stop_ save_