data_27083 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR backbone assignment of the Tyrosine Kinase domain of human fibroblast receptor 3 in apo state and in complex with inhibitor PD173074 ; _BMRB_accession_number 27083 _BMRB_flat_file_name bmr27083.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 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" 227 "13C chemical shifts" 289 "15N chemical shifts" 231 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-03-15 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27082 'Tyrosine Kinase domain of human fibroblast receptor 3 in apo state' 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 . loop_ _Keyword FGFR 'kinase inhibitor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Holo FGFR3' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Holo FGFR3' $FGFR3 PD173074 $entity_PD1 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_FGFR3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FGFR3 _Molecular_mass . _Mol_thiol_state 'all other bound' _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_ ############# # Ligands # ############# save_PD1 _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA _BMRB_code PD1 _PDB_code PD1 _Molecular_mass 523.670 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? C20 C20 C . 0 . ? C21 C21 C . 0 . ? C22 C22 C . 0 . ? C23 C23 C . 0 . ? C24 C24 C . 0 . ? C25 C25 C . 0 . ? C26 C26 C . 0 . ? C27 C27 C . 0 . ? C28 C28 C . 0 . ? N1 N1 N . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? N4 N4 N . 0 . ? N5 N5 N . 0 . ? N6 N6 N . 0 . ? N7 N7 N . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? O3 O3 O . 0 . ? H11 H11 H . 0 . ? H12 H12 H . 0 . ? H13A H13A H . 0 . ? H21A H21A H . 0 . ? H22 H22 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H33 H33 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H10 H10 H . 0 . ? H13 H13 H . 0 . ? H17 H17 H . 0 . ? H19 H19 H . 0 . ? H21 H21 H . 0 . ? H221 H221 H . 0 . ? H222 H222 H . 0 . ? H223 H223 H . 0 . ? H231 H231 H . 0 . ? H232 H232 H . 0 . ? H233 H233 H . 0 . ? H261 H261 H . 0 . ? H262 H262 H . 0 . ? H263 H263 H . 0 . ? H271 H271 H . 0 . ? H272 H272 H . 0 . ? H273 H273 H . 0 . ? H281 H281 H . 0 . ? H282 H282 H . 0 . ? H283 H283 H . 0 . ? HN2 HN2 H . 0 . ? HN6 HN6 H . 0 . ? HN7 HN7 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C1 C2 ? ? SING C1 H11 ? ? SING C1 H12 ? ? SING C1 H13A ? ? SING C2 N1 ? ? SING C2 H21A ? ? SING C2 H22 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C3 H33 ? ? SING C4 N1 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C5 C6 ? ? SING C5 N1 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C6 C7 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C7 C8 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C8 N2 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING C9 N2 ? ? DOUB C9 N3 ? ? SING C9 N4 ? ? DOUB C10 C11 ? ? SING C10 N3 ? ? SING C10 H10 ? ? SING C11 C12 ? ? SING C11 C13 ? ? DOUB C12 N4 ? ? SING C12 N5 ? ? DOUB C13 C14 ? ? SING C13 H13 ? ? SING C14 C15 ? ? SING C14 C16 ? ? DOUB C15 N5 ? ? SING C15 N6 ? ? DOUB C16 C17 ? ? SING C16 C21 ? ? SING C17 C18 ? ? SING C17 H17 ? ? DOUB C18 C19 ? ? SING C18 O1 ? ? SING C19 C20 ? ? SING C19 H19 ? ? DOUB C20 C21 ? ? SING C20 O2 ? ? SING C21 H21 ? ? SING C22 O1 ? ? SING C22 H221 ? ? SING C22 H222 ? ? SING C22 H223 ? ? SING C23 O2 ? ? SING C23 H231 ? ? SING C23 H232 ? ? SING C23 H233 ? ? SING C24 N6 ? ? SING C24 N7 ? ? DOUB C24 O3 ? ? SING C25 C26 ? ? SING C25 C27 ? ? SING C25 C28 ? ? SING C25 N7 ? ? SING C26 H261 ? ? SING C26 H262 ? ? SING C26 H263 ? ? SING C27 H271 ? ? SING C27 H272 ? ? SING C27 H273 ? ? SING C28 H281 ? ? SING C28 H282 ? ? SING C28 H283 ? ? SING N2 HN2 ? ? SING N6 HN6 ? ? SING N7 HN7 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_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]' $entity_PD1 0.4 mM . . 'natural abundance' 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 3.5 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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCACO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _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 303.2 . 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 HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HN(CO)CA' '3D HCACO' 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 'Holo 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 1 457 3 LEU H H 8.166 0.014 . 2 457 3 LEU C C 176.572 0.000 . 3 457 3 LEU CA C 54.746 0.000 . 4 457 3 LEU CB C 41.566 0.000 . 5 457 3 LEU N N 123.303 0.000 . 6 458 4 GLU H H 8.239 0.014 . 7 458 4 GLU C C 175.685 0.001 . 8 458 4 GLU CA C 55.491 0.000 . 9 458 4 GLU CB C 29.262 0.002 . 10 458 4 GLU N N 123.763 0.000 . 11 459 5 LEU H H 8.279 0.014 . 12 459 5 LEU C C 174.509 0.000 . 13 459 5 LEU CA C 52.108 0.000 . 14 459 5 LEU CB C 41.044 0.000 . 15 459 5 LEU N N 125.699 0.000 . 16 461 7 ALA H H 8.287 0.014 . 17 461 7 ALA N N 124.925 0.000 . 18 462 8 ASP H H 8.524 0.014 . 19 462 8 ASP N N 121.938 0.000 . 20 464 10 LYS H H 8.140 0.014 . 21 464 10 LYS C C 176.930 0.000 . 22 464 10 LYS CA C 57.994 0.000 . 23 464 10 LYS CB C 31.593 0.000 . 24 464 10 LYS N N 118.041 0.000 . 25 465 11 TRP H H 7.216 0.014 . 26 465 11 TRP CA C 56.233 0.000 . 27 465 11 TRP CB C 32.244 0.000 . 28 465 11 TRP N N 115.432 0.000 . 29 466 12 GLU H H 7.502 0.014 . 30 466 12 GLU C C 176.047 0.000 . 31 466 12 GLU CA C 56.469 0.000 . 32 466 12 GLU N N 122.218 0.000 . 33 467 13 LEU H H 8.793 0.014 . 34 467 13 LEU C C 176.043 0.036 . 35 467 13 LEU CA C 52.969 0.026 . 36 467 13 LEU CB C 43.708 0.000 . 37 467 13 LEU N N 131.254 0.000 . 38 468 14 SER H H 7.982 0.012 . 39 468 14 SER C C 176.703 0.081 . 40 468 14 SER CA C 57.919 0.024 . 41 468 14 SER N N 113.434 0.019 . 42 469 15 ARG H H 8.849 0.017 . 43 469 15 ARG C C 177.811 0.002 . 44 469 15 ARG CA C 58.750 0.019 . 45 469 15 ARG CB C 28.473 0.006 . 46 469 15 ARG N N 128.401 0.032 . 47 470 16 ALA H H 7.920 0.014 . 48 470 16 ALA C C 178.835 0.026 . 49 470 16 ALA CA C 53.237 0.005 . 50 470 16 ALA CB C 17.541 0.007 . 51 470 16 ALA N N 120.884 0.033 . 52 471 17 ARG H H 7.619 0.014 . 53 471 17 ARG C C 173.948 0.000 . 54 471 17 ARG CA C 55.488 0.000 . 55 471 17 ARG CB C 29.257 0.000 . 56 471 17 ARG N N 115.854 0.000 . 57 472 18 LEU H H 7.357 0.014 . 58 472 18 LEU CA C 53.220 0.000 . 59 472 18 LEU CB C 45.064 0.000 . 60 472 18 LEU N N 122.044 0.000 . 61 473 19 THR H H 8.727 0.014 . 62 473 19 THR C C 175.155 0.000 . 63 473 19 THR CA C 60.984 0.000 . 64 473 19 THR N N 121.515 0.000 . 65 474 20 LEU H H 8.998 0.014 . 66 474 20 LEU C C 176.747 0.000 . 67 474 20 LEU CA C 56.233 0.000 . 68 474 20 LEU N N 129.883 0.000 . 69 475 21 GLY H H 8.660 0.015 . 70 475 21 GLY CA C 43.729 0.000 . 71 475 21 GLY N N 113.885 0.000 . 72 476 22 LYS H H 8.000 0.015 . 73 476 22 LYS C C 174.672 0.000 . 74 476 22 LYS CA C 54.480 0.000 . 75 476 22 LYS N N 124.117 0.000 . 76 478 24 LEU H H 9.335 0.014 . 77 478 24 LEU N N 121.515 0.000 . 78 479 25 GLY H H 7.563 0.012 . 79 479 25 GLY CA C 44.837 0.000 . 80 479 25 GLY N N 104.638 0.000 . 81 480 26 GLU H H 8.484 0.015 . 82 480 26 GLU CA C 55.232 0.000 . 83 480 26 GLU CB C 31.603 0.000 . 84 480 26 GLU N N 118.526 0.000 . 85 481 27 GLY H H 8.129 0.015 . 86 481 27 GLY CA C 43.195 0.000 . 87 481 27 GLY N N 111.633 0.000 . 88 483 29 PHE H H 7.482 0.011 . 89 483 29 PHE CA C 55.737 0.000 . 90 483 29 PHE N N 110.299 0.000 . 91 484 30 GLY H H 7.054 0.015 . 92 484 30 GLY N N 106.572 0.000 . 93 485 31 GLN H H 8.990 0.015 . 94 485 31 GLN CA C 53.526 0.000 . 95 485 31 GLN CB C 30.434 0.000 . 96 485 31 GLN N N 120.003 0.000 . 97 486 32 VAL H H 8.495 0.014 . 98 486 32 VAL CA C 59.736 0.000 . 99 486 32 VAL CB C 32.862 0.000 . 100 486 32 VAL N N 121.235 0.000 . 101 487 33 VAL C C 174.476 0.000 . 102 487 33 VAL CA C 58.922 0.000 . 103 487 33 VAL CB C 33.983 0.000 . 104 487 33 VAL N N 124.586 0.000 . 105 488 34 MET H H 8.441 0.014 . 106 488 34 MET CA C 55.770 0.000 . 107 488 34 MET CB C 33.983 0.000 . 108 488 34 MET N N 123.624 0.000 . 109 489 35 ALA C C 174.619 0.000 . 110 489 35 ALA CA C 50.967 0.000 . 111 489 35 ALA CB C 24.421 0.000 . 112 489 35 ALA N N 121.650 0.000 . 113 490 36 GLU H H 7.979 0.014 . 114 490 36 GLU CA C 54.442 0.000 . 115 490 36 GLU CB C 31.900 0.000 . 116 490 36 GLU N N 117.366 0.000 . 117 491 37 ALA H H 9.181 0.014 . 118 491 37 ALA C C 176.407 0.000 . 119 491 37 ALA CA C 49.466 0.000 . 120 491 37 ALA N N 127.773 0.000 . 121 492 38 ILE H H 8.433 0.014 . 122 492 38 ILE CA C 60.498 0.000 . 123 492 38 ILE CB C 38.342 0.000 . 124 492 38 ILE N N 122.640 0.000 . 125 493 39 GLY H H 7.978 0.015 . 126 493 39 GLY CA C 45.912 0.000 . 127 493 39 GLY N N 113.393 0.000 . 128 494 40 ILE H H 7.120 0.015 . 129 494 40 ILE C C 175.425 0.000 . 130 494 40 ILE CB C 37.350 0.000 . 131 494 40 ILE N N 116.487 0.000 . 132 495 41 ASP H H 8.118 0.014 . 133 495 41 ASP CA C 52.957 0.000 . 134 495 41 ASP CB C 40.933 0.000 . 135 495 41 ASP N N 121.691 0.000 . 136 496 42 LYS H H 8.389 0.014 . 137 496 42 LYS CA C 57.716 0.000 . 138 496 42 LYS CB C 31.040 0.000 . 139 496 42 LYS N N 123.378 0.000 . 140 497 43 ASP H H 8.158 0.014 . 141 497 43 ASP C C 176.359 0.000 . 142 497 43 ASP CB C 40.973 0.000 . 143 497 43 ASP N N 118.144 0.000 . 144 498 44 ARG H H 7.814 0.014 . 145 498 44 ARG CA C 54.489 0.000 . 146 498 44 ARG CB C 29.261 0.000 . 147 498 44 ARG N N 122.263 0.000 . 148 499 45 ALA H H 8.140 0.014 . 149 499 45 ALA C C 177.633 0.000 . 150 499 45 ALA CA C 54.230 0.000 . 151 499 45 ALA CB C 17.531 0.000 . 152 499 45 ALA N N 124.574 0.000 . 153 500 46 ALA H H 8.177 0.014 . 154 500 46 ALA CA C 51.504 0.000 . 155 500 46 ALA CB C 18.127 0.000 . 156 500 46 ALA N N 119.057 0.000 . 157 501 47 LYS H H 7.656 0.014 . 158 501 47 LYS CA C 53.406 0.000 . 159 501 47 LYS CB C 32.862 0.000 . 160 501 47 LYS N N 120.917 0.000 . 161 503 49 VAL H H 8.543 0.014 . 162 503 49 VAL CA C 60.683 0.000 . 163 503 49 VAL N N 123.976 0.000 . 164 504 50 THR H H 8.529 0.014 . 165 504 50 THR C C 173.821 0.000 . 166 504 50 THR CA C 63.195 0.000 . 167 504 50 THR CB C 67.878 0.000 . 168 504 50 THR N N 124.855 0.000 . 169 505 51 VAL H H 8.951 0.014 . 170 505 51 VAL CA C 59.055 0.000 . 171 505 51 VAL CB C 33.380 0.000 . 172 505 51 VAL N N 120.884 0.000 . 173 506 52 ALA H H 8.503 0.014 . 174 506 52 ALA C C 174.984 0.000 . 175 506 52 ALA CA C 49.261 0.000 . 176 506 52 ALA CB C 19.682 0.000 . 177 506 52 ALA N N 121.230 0.000 . 178 507 53 VAL H H 8.947 0.014 . 179 507 53 VAL CA C 59.560 0.000 . 180 507 53 VAL CB C 33.380 0.000 . 181 507 53 VAL N N 121.234 0.000 . 182 508 54 LYS H H 9.482 0.014 . 183 508 54 LYS C C 173.952 0.000 . 184 508 54 LYS CA C 54.738 0.000 . 185 508 54 LYS CB C 36.268 0.000 . 186 508 54 LYS N N 129.004 0.000 . 187 509 55 MET H H 8.763 0.000 . 188 509 55 MET C C 174.017 0.000 . 189 509 55 MET N N 122.464 0.000 . 190 510 56 LEU H H 9.240 0.014 . 191 510 56 LEU C C 179.102 0.000 . 192 510 56 LEU CA C 56.053 0.000 . 193 510 56 LEU CB C 40.933 0.000 . 194 510 56 LEU N N 120.108 0.000 . 195 511 57 LYS H H 8.636 0.014 . 196 511 57 LYS CB C 32.788 0.000 . 197 511 57 LYS N N 120.238 0.000 . 198 512 58 ASP H H 8.705 0.014 . 199 512 58 ASP CA C 56.464 0.000 . 200 512 58 ASP CB C 39.823 0.000 . 201 512 58 ASP N N 120.882 0.000 . 202 513 59 ASP H H 8.199 0.014 . 203 513 59 ASP CA C 52.736 0.000 . 204 513 59 ASP CB C 38.712 0.000 . 205 513 59 ASP N N 117.366 0.000 . 206 514 60 ALA H H 7.209 0.014 . 207 514 60 ALA CA C 52.200 0.000 . 208 514 60 ALA CB C 21.272 0.000 . 209 514 60 ALA N N 122.113 0.000 . 210 515 61 THR H H 8.815 0.014 . 211 515 61 THR CA C 59.750 0.000 . 212 515 61 THR CB C 71.515 0.000 . 213 515 61 THR N N 112.057 0.000 . 214 518 64 ASP H H 7.436 0.014 . 215 518 64 ASP N N 120.108 0.000 . 216 519 65 LEU H H 7.485 0.016 . 217 519 65 LEU N N 119.370 0.000 . 218 520 66 SER H H 7.913 0.014 . 219 520 66 SER N N 114.026 0.000 . 220 521 67 ASP H H 8.245 0.014 . 221 521 67 ASP N N 123.766 0.125 . 222 522 68 LEU H H 8.030 0.014 . 223 522 68 LEU N N 124.216 0.000 . 224 523 69 VAL H H 8.529 0.014 . 225 523 69 VAL N N 119.862 0.000 . 226 524 70 SER H H 8.377 0.011 . 227 524 70 SER N N 115.362 0.000 . 228 525 71 GLU H H 8.086 0.015 . 229 525 71 GLU N N 124.536 0.007 . 230 526 72 MET H H 8.030 0.014 . 231 526 72 MET N N 120.179 0.000 . 232 527 73 GLU H H 8.784 0.014 . 233 527 73 GLU N N 117.477 0.000 . 234 528 74 MET H H 8.219 0.014 . 235 528 74 MET N N 121.720 0.000 . 236 529 75 MET H H 8.118 0.014 . 237 529 75 MET N N 118.702 0.000 . 238 530 76 LYS H H 7.826 0.015 . 239 530 76 LYS N N 119.335 0.000 . 240 531 77 MET H H 7.394 0.013 . 241 531 77 MET N N 116.786 0.193 . 242 532 78 ILE H H 7.938 0.017 . 243 532 78 ILE N N 119.965 0.042 . 244 533 79 GLY H H 7.325 0.015 . 245 533 79 GLY N N 108.013 0.000 . 246 534 80 LYS H H 7.618 0.015 . 247 534 80 LYS N N 117.190 0.000 . 248 535 81 HIS H H 7.869 0.014 . 249 535 81 HIS C C 174.775 0.000 . 250 535 81 HIS CA C 57.624 0.000 . 251 535 81 HIS CB C 33.427 0.000 . 252 535 81 HIS N N 119.897 0.000 . 253 536 82 LYS H H 7.495 0.014 . 254 536 82 LYS C C 177.454 0.000 . 255 536 82 LYS CA C 59.014 0.000 . 256 536 82 LYS CB C 32.136 0.000 . 257 536 82 LYS N N 128.020 0.000 . 258 537 83 ASN H H 11.174 0.014 . 259 537 83 ASN C C 174.486 0.000 . 260 537 83 ASN CA C 54.505 0.000 . 261 537 83 ASN CB C 39.971 0.000 . 262 537 83 ASN N N 118.245 0.000 . 263 538 84 ILE H H 7.407 0.014 . 264 538 84 ILE CB C 40.163 0.000 . 265 538 84 ILE N N 112.162 0.000 . 266 539 85 ILE H H 7.715 0.014 . 267 539 85 ILE N N 120.104 0.000 . 268 540 86 ASN H H 8.339 0.014 . 269 540 86 ASN N N 122.767 0.000 . 270 541 87 LEU H H 8.232 0.014 . 271 541 87 LEU C C 175.511 0.000 . 272 541 87 LEU CA C 54.731 0.000 . 273 541 87 LEU CB C 42.044 0.000 . 274 541 87 LEU N N 121.689 0.000 . 275 542 88 LEU H H 9.336 0.014 . 276 542 88 LEU CA C 53.988 0.000 . 277 542 88 LEU CB C 43.317 0.000 . 278 542 88 LEU N N 123.948 0.000 . 279 543 89 GLY H H 7.897 0.015 . 280 543 89 GLY C C 169.159 0.000 . 281 543 89 GLY N N 104.632 0.000 . 282 544 90 ALA H H 8.645 0.015 . 283 544 90 ALA CA C 51.251 0.000 . 284 544 90 ALA CB C 22.718 0.000 . 285 544 90 ALA N N 121.198 0.000 . 286 545 91 CYS H H 9.086 0.014 . 287 545 91 CYS CA C 56.622 0.000 . 288 545 91 CYS CB C 28.123 0.000 . 289 545 91 CYS N N 119.300 0.000 . 290 546 92 THR H H 10.438 0.014 . 291 546 92 THR CA C 61.703 0.000 . 292 546 92 THR CB C 70.050 0.000 . 293 546 92 THR N N 116.135 0.000 . 294 547 93 GLN H H 7.539 0.014 . 295 547 93 GLN CA C 53.715 0.000 . 296 547 93 GLN CB C 29.826 0.000 . 297 547 93 GLN N N 121.058 0.000 . 298 549 95 GLY H H 7.298 0.016 . 299 549 95 GLY N N 106.769 0.000 . 300 551 97 LEU H H 8.082 0.014 . 301 551 97 LEU N N 124.372 0.063 . 302 552 98 TYR H H 8.370 0.020 . 303 552 98 TYR C C 174.979 0.000 . 304 552 98 TYR CA C 52.199 0.000 . 305 552 98 TYR CB C 40.356 0.000 . 306 553 99 VAL H H 8.954 0.014 . 307 553 99 VAL CA C 62.537 0.000 . 308 553 99 VAL CB C 32.136 0.000 . 309 553 99 VAL N N 123.730 0.000 . 310 554 100 LEU H H 8.668 0.014 . 311 554 100 LEU C C 175.654 0.000 . 312 554 100 LEU CA C 54.993 0.000 . 313 554 100 LEU N N 127.211 0.000 . 314 555 101 VAL H H 9.379 0.014 . 315 555 101 VAL CA C 57.577 0.000 . 316 555 101 VAL CB C 34.852 0.000 . 317 555 101 VAL N N 116.311 0.000 . 318 556 102 GLU H H 7.135 0.014 . 319 556 102 GLU CA C 56.748 0.000 . 320 556 102 GLU CB C 30.937 0.000 . 321 556 102 GLU N N 117.225 0.000 . 322 557 103 TYR H H 8.455 0.014 . 323 557 103 TYR CA C 56.780 0.000 . 324 557 103 TYR CB C 39.823 0.000 . 325 557 103 TYR N N 117.542 0.000 . 326 558 104 ALA H H 9.533 0.014 . 327 558 104 ALA CA C 49.744 0.000 . 328 558 104 ALA CB C 19.316 0.000 . 329 558 104 ALA N N 133.469 0.000 . 330 559 105 ALA C C 178.435 0.000 . 331 559 105 ALA CA C 54.750 0.000 . 332 559 105 ALA CB C 19.425 0.000 . 333 559 105 ALA N N 124.996 0.000 . 334 560 106 LYS H H 7.949 0.014 . 335 560 106 LYS CA C 56.780 0.000 . 336 560 106 LYS CB C 31.455 0.000 . 337 560 106 LYS N N 111.986 0.000 . 338 561 107 GLY H H 6.952 0.015 . 339 561 107 GLY N N 103.440 0.000 . 340 562 108 ASN H H 8.772 0.015 . 341 562 108 ASN N N 117.600 0.000 . 342 564 110 ARG H H 7.128 0.014 . 343 564 110 ARG N N 118.983 0.000 . 344 565 111 GLU H H 8.015 0.014 . 345 565 111 GLU N N 118.561 0.000 . 346 569 115 ALA H H 7.579 0.015 . 347 569 115 ALA N N 118.963 0.000 . 348 570 116 ARG H H 7.224 0.015 . 349 570 116 ARG N N 117.763 0.000 . 350 571 117 ARG H H 7.018 0.011 . 351 571 117 ARG N N 120.504 0.000 . 352 574 120 GLY H H 8.139 0.015 . 353 574 120 GLY N N 108.470 0.000 . 354 575 121 LEU H H 8.167 0.014 . 355 575 121 LEU CA C 55.499 0.000 . 356 575 121 LEU N N 121.457 0.000 . 357 576 122 ASP H H 8.267 0.013 . 358 576 122 ASP CA C 53.705 0.000 . 359 576 122 ASP N N 118.808 0.000 . 360 577 123 TYR H H 7.818 0.013 . 361 577 123 TYR CA C 57.862 0.000 . 362 577 123 TYR N N 120.749 0.000 . 363 578 124 SER H H 7.960 0.010 . 364 578 124 SER N N 118.034 0.000 . 365 579 125 PHE H H 7.971 0.014 . 366 579 125 PHE N N 122.464 0.000 . 367 580 126 ASP H H 8.179 0.017 . 368 580 126 ASP N N 121.662 0.000 . 369 586 132 GLU H H 8.131 0.014 . 370 586 132 GLU C C 176.760 0.000 . 371 586 132 GLU CA C 55.706 0.000 . 372 586 132 GLU CB C 30.493 0.000 . 373 586 132 GLU N N 120.952 0.000 . 374 587 133 GLU H H 8.345 0.014 . 375 587 133 GLU C C 176.381 0.000 . 376 587 133 GLU CA C 55.769 0.000 . 377 587 133 GLU CB C 29.382 0.000 . 378 587 133 GLU N N 121.866 0.000 . 379 588 134 GLN H H 8.389 0.014 . 380 588 134 GLN C C 176.210 0.000 . 381 588 134 GLN CA C 55.491 0.000 . 382 588 134 GLN CB C 28.659 0.000 . 383 588 134 GLN N N 122.113 0.000 . 384 589 135 LEU H H 8.464 0.014 . 385 589 135 LEU N N 124.504 0.000 . 386 590 136 THR H H 9.049 0.014 . 387 590 136 THR C C 175.511 0.000 . 388 590 136 THR CA C 59.339 0.000 . 389 590 136 THR CB C 72.551 0.000 . 390 590 136 THR N N 113.147 0.000 . 391 591 137 PHE H H 9.446 0.014 . 392 591 137 PHE C C 177.276 0.000 . 393 591 137 PHE CA C 62.536 0.000 . 394 591 137 PHE CB C 39.089 0.000 . 395 591 137 PHE N N 122.043 0.002 . 396 592 138 LYS H H 8.153 0.014 . 397 592 138 LYS N N 117.499 0.000 . 398 593 139 ASP H H 7.512 0.014 . 399 593 139 ASP N N 118.636 0.000 . 400 594 140 LEU H H 7.445 0.013 . 401 594 140 LEU N N 119.494 0.025 . 402 595 141 VAL H H 7.647 0.013 . 403 595 141 VAL N N 118.307 0.031 . 404 596 142 SER H H 8.435 0.011 . 405 596 142 SER N N 114.623 0.000 . 406 609 155 ALA H H 9.137 0.014 . 407 609 155 ALA C C 181.823 0.000 . 408 609 155 ALA CA C 55.028 0.000 . 409 609 155 ALA CB C 15.731 0.000 . 410 609 155 ALA N N 122.288 0.000 . 411 610 156 SER H H 7.901 0.010 . 412 610 156 SER CA C 61.013 0.000 . 413 610 156 SER CB C 61.888 0.000 . 414 610 156 SER N N 117.964 0.000 . 415 612 158 LYS H H 7.905 0.014 . 416 612 158 LYS N N 113.428 0.000 . 417 613 159 CYS H H 8.190 0.014 . 418 613 159 CYS N N 120.131 0.000 . 419 614 160 ILE H H 8.305 0.015 . 420 614 160 ILE N N 130.522 0.127 . 421 618 164 LEU H H 9.173 0.015 . 422 618 164 LEU C C 172.709 0.000 . 423 618 164 LEU CA C 56.465 0.000 . 424 618 164 LEU CB C 39.958 0.000 . 425 618 164 LEU N N 126.121 0.000 . 426 619 165 ALA H H 6.351 0.014 . 427 619 165 ALA C C 177.781 0.000 . 428 619 165 ALA CA C 50.717 0.000 . 429 619 165 ALA CB C 20.403 0.000 . 430 619 165 ALA N N 123.519 0.000 . 431 620 166 ALA H H 10.471 0.014 . 432 620 166 ALA C C 178.828 0.000 . 433 620 166 ALA CA C 56.048 0.000 . 434 620 166 ALA CB C 14.754 0.000 . 435 620 166 ALA N N 127.780 0.000 . 436 621 167 ARG H H 9.048 0.015 . 437 621 167 ARG N N 114.623 0.000 . 438 622 168 ASN H H 7.672 0.014 . 439 622 168 ASN N N 115.183 0.000 . 440 623 169 VAL H H 7.404 0.014 . 441 623 169 VAL N N 119.881 0.071 . 442 624 170 LEU H H 7.942 0.015 . 443 624 170 LEU N N 123.492 0.016 . 444 625 171 VAL H H 8.205 0.012 . 445 625 171 VAL N N 117.359 0.013 . 446 626 172 THR H H 6.889 0.009 . 447 626 172 THR N N 112.865 0.001 . 448 627 173 GLU H H 8.509 0.013 . 449 627 173 GLU N N 117.618 0.029 . 450 628 174 ASP H H 7.832 0.014 . 451 628 174 ASP N N 114.448 0.000 . 452 629 175 ASN H H 7.889 0.014 . 453 629 175 ASN CA C 53.823 0.000 . 454 629 175 ASN CB C 33.934 0.000 . 455 629 175 ASN N N 115.750 0.000 . 456 630 176 VAL H H 7.509 0.014 . 457 630 176 VAL N N 119.757 0.000 . 458 631 177 MET H H 7.582 0.015 . 459 631 177 MET C C 175.691 0.000 . 460 631 177 MET CA C 58.235 0.000 . 461 631 177 MET CB C 39.674 0.000 . 462 631 177 MET N N 122.992 0.000 . 463 632 178 LYS H H 8.115 0.000 . 464 632 178 LYS N N 121.934 0.000 . 465 633 179 ILE H H 8.642 0.014 . 466 633 179 ILE C C 173.462 0.000 . 467 633 179 ILE CA C 63.510 0.000 . 468 633 179 ILE CB C 37.459 0.000 . 469 633 179 ILE N N 126.451 0.000 . 470 634 180 ALA H H 8.779 0.014 . 471 634 180 ALA C C 176.391 0.000 . 472 634 180 ALA CA C 49.477 0.000 . 473 634 180 ALA CB C 21.637 0.000 . 474 634 180 ALA N N 127.763 0.000 . 475 635 181 ASP H H 7.641 0.014 . 476 635 181 ASP C C 173.593 0.000 . 477 635 181 ASP CA C 55.642 0.000 . 478 635 181 ASP CB C 37.099 0.000 . 479 635 181 ASP N N 113.323 0.000 . 480 636 182 PHE H H 6.104 0.012 . 481 636 182 PHE CA C 53.735 0.000 . 482 636 182 PHE CB C 39.823 0.000 . 483 636 182 PHE N N 110.721 0.000 . 484 637 183 GLY H H 7.800 0.015 . 485 637 183 GLY C C 173.386 0.000 . 486 637 183 GLY CA C 45.977 0.000 . 487 637 183 GLY N N 107.052 0.000 . 488 638 184 LEU H H 7.537 0.015 . 489 638 184 LEU CA C 54.239 0.000 . 490 638 184 LEU CB C 41.572 0.000 . 491 638 184 LEU N N 120.113 0.000 . 492 639 185 ALA H H 8.316 0.014 . 493 639 185 ALA CA C 51.977 0.000 . 494 639 185 ALA CB C 17.537 0.000 . 495 639 185 ALA N N 126.015 0.000 . 496 640 186 ARG H H 7.935 0.014 . 497 640 186 ARG C C 175.824 0.000 . 498 640 186 ARG CB C 30.271 0.000 . 499 640 186 ARG N N 120.460 0.000 . 500 645 191 LEU H H 8.059 0.014 . 501 645 191 LEU N N 121.339 0.000 . 502 646 192 ASP H H 8.246 0.014 . 503 646 192 ASP N N 121.083 0.000 . 504 647 193 TYR H H 7.987 0.014 . 505 647 193 TYR N N 121.667 0.000 . 506 648 194 TYR H H 8.005 0.014 . 507 648 194 TYR N N 122.541 0.000 . 508 660 206 TRP H H 8.412 0.014 . 509 660 206 TRP N N 121.357 0.000 . 510 661 207 MET H H 7.326 0.014 . 511 661 207 MET N N 121.163 0.000 . 512 662 208 ALA H H 8.125 0.014 . 513 662 208 ALA N N 125.031 0.000 . 514 664 210 GLU H H 9.284 0.014 . 515 664 210 GLU C C 177.814 0.000 . 516 664 210 GLU CA C 58.226 0.000 . 517 664 210 GLU CB C 25.200 0.000 . 518 664 210 GLU N N 115.045 0.000 . 519 665 211 ALA H H 6.864 0.000 . 520 665 211 ALA C C 178.828 0.000 . 521 665 211 ALA CA C 54.240 0.000 . 522 665 211 ALA CB C 17.035 0.000 . 523 665 211 ALA N N 126.367 0.000 . 524 666 212 LEU H H 7.260 0.014 . 525 666 212 LEU C C 178.143 0.000 . 526 666 212 LEU CA C 56.964 0.000 . 527 666 212 LEU CB C 40.968 0.000 . 528 666 212 LEU N N 118.890 0.000 . 529 667 213 PHE H H 8.250 0.014 . 530 667 213 PHE CB C 38.002 0.000 . 531 667 213 PHE N N 114.518 0.000 . 532 668 214 ASP H H 7.296 0.014 . 533 668 214 ASP C C 175.523 0.000 . 534 668 214 ASP CA C 54.147 0.000 . 535 668 214 ASP N N 116.085 0.000 . 536 669 215 ARG H H 7.224 0.014 . 537 669 215 ARG CA C 56.140 0.000 . 538 669 215 ARG CB C 25.558 0.000 . 539 669 215 ARG N N 114.741 0.000 . 540 670 216 VAL H H 7.305 0.014 . 541 670 216 VAL CA C 61.235 0.000 . 542 670 216 VAL CB C 32.187 0.000 . 543 670 216 VAL N N 119.700 0.000 . 544 671 217 TYR H H 7.938 0.010 . 545 671 217 TYR N N 123.501 0.019 . 546 672 218 THR H H 9.418 0.012 . 547 672 218 THR N N 113.780 0.000 . 548 676 222 ASP H H 7.728 0.015 . 549 676 222 ASP C C 178.992 0.000 . 550 676 222 ASP CA C 57.670 0.000 . 551 676 222 ASP CB C 39.849 0.000 . 552 676 222 ASP N N 125.664 0.000 . 553 677 223 VAL H H 7.678 0.014 . 554 677 223 VAL CA C 67.265 0.000 . 555 677 223 VAL CB C 30.289 0.000 . 556 677 223 VAL N N 122.992 0.000 . 557 678 224 TRP H H 7.292 0.014 . 558 678 224 TRP CA C 61.517 0.000 . 559 678 224 TRP CB C 27.605 0.000 . 560 678 224 TRP N N 121.504 0.000 . 561 679 225 SER H H 8.404 0.011 . 562 679 225 SER N N 116.002 0.028 . 563 680 226 PHE H H 9.240 0.014 . 564 680 226 PHE N N 122.921 0.000 . 565 681 227 GLY H H 8.434 0.001 . 566 681 227 GLY N N 107.731 0.000 . 567 690 236 LEU H H 8.105 0.014 . 568 690 236 LEU N N 121.607 0.000 . 569 691 237 GLY H H 9.268 0.015 . 570 691 237 GLY N N 105.376 0.000 . 571 692 238 GLY H H 7.849 0.012 . 572 692 238 GLY N N 109.983 0.000 . 573 693 239 SER H H 8.509 0.015 . 574 693 239 SER N N 117.952 0.000 . 575 695 241 TYR H H 7.026 0.014 . 576 695 241 TYR N N 115.538 0.000 . 577 700 246 VAL H H 8.565 0.014 . 578 700 246 VAL C C 176.573 0.000 . 579 700 246 VAL CA C 66.236 0.000 . 580 700 246 VAL CB C 30.641 0.000 . 581 700 246 VAL N N 122.710 0.000 . 582 701 247 GLU H H 9.159 0.014 . 583 701 247 GLU C C 178.656 0.000 . 584 701 247 GLU CA C 59.276 0.000 . 585 701 247 GLU CB C 27.457 0.000 . 586 701 247 GLU N N 117.366 0.000 . 587 702 248 GLU H H 7.205 0.014 . 588 702 248 GLU C C 177.296 0.000 . 589 702 248 GLU CA C 56.432 0.000 . 590 702 248 GLU CB C 29.308 0.000 . 591 702 248 GLU N N 117.707 0.000 . 592 703 249 LEU H H 7.557 0.014 . 593 703 249 LEU C C 177.273 0.000 . 594 703 249 LEU CA C 57.759 0.000 . 595 703 249 LEU CB C 40.489 0.000 . 596 703 249 LEU N N 121.237 0.000 . 597 704 250 PHE H H 7.894 0.012 . 598 704 250 PHE N N 115.545 0.004 . 599 705 251 LYS H H 7.372 0.015 . 600 705 251 LYS CA C 58.995 0.001 . 601 705 251 LYS N N 119.487 0.000 . 602 706 252 LEU H H 7.862 0.000 . 603 706 252 LEU C C 180.284 0.000 . 604 706 252 LEU CA C 57.507 0.000 . 605 706 252 LEU CB C 39.897 0.000 . 606 706 252 LEU N N 119.344 0.000 . 607 707 253 LEU H H 8.653 0.014 . 608 707 253 LEU CA C 57.475 0.000 . 609 707 253 LEU CB C 41.538 0.000 . 610 707 253 LEU N N 118.913 0.000 . 611 708 254 LYS H H 7.913 0.014 . 612 708 254 LYS CA C 58.991 0.000 . 613 708 254 LYS CB C 31.085 0.000 . 614 708 254 LYS N N 121.656 0.000 . 615 709 255 GLU C C 176.748 0.000 . 616 709 255 GLU CA C 56.238 0.000 . 617 709 255 GLU CB C 28.642 0.000 . 618 709 255 GLU N N 117.262 0.000 . 619 710 256 GLY H H 7.559 0.015 . 620 710 256 GLY CA C 44.737 0.000 . 621 710 256 GLY N N 105.564 0.000 . 622 711 257 HIS H H 8.088 0.015 . 623 711 257 HIS C C 175.333 0.000 . 624 711 257 HIS CA C 57.734 0.000 . 625 711 257 HIS N N 122.499 0.000 . 626 712 258 ARG H H 7.436 0.014 . 627 712 258 ARG CA C 51.737 0.000 . 628 712 258 ARG CB C 33.222 0.000 . 629 712 258 ARG N N 123.203 0.000 . 630 713 259 MET H H 7.245 0.014 . 631 713 259 MET N N 118.280 0.000 . 632 714 260 ASP H H 8.432 0.000 . 633 714 260 ASP N N 120.638 0.000 . 634 715 261 LYS H H 8.045 0.014 . 635 715 261 LYS N N 122.499 0.000 . 636 718 264 ASN H H 8.278 0.015 . 637 718 264 ASN N N 113.112 0.000 . 638 719 265 CYS H H 7.304 0.014 . 639 719 265 CYS N N 115.221 0.000 . 640 720 266 THR H H 6.395 0.014 . 641 720 266 THR N N 115.186 0.000 . 642 722 268 ASP H H 8.593 0.014 . 643 722 268 ASP C C 179.351 0.000 . 644 722 268 ASP CA C 56.928 0.000 . 645 722 268 ASP N N 116.730 0.000 . 646 723 269 LEU H H 7.113 0.014 . 647 723 269 LEU CB C 42.044 0.000 . 648 723 269 LEU N N 119.757 0.000 . 649 724 270 TYR H H 8.003 0.014 . 650 724 270 TYR CA C 59.391 0.074 . 651 724 270 TYR CB C 37.444 0.000 . 652 724 270 TYR N N 121.178 0.002 . 653 725 271 MET H H 8.155 0.014 . 654 725 271 MET CA C 57.222 0.000 . 655 725 271 MET CB C 30.937 0.000 . 656 725 271 MET N N 117.386 0.048 . 657 726 272 ILE H H 6.893 0.014 . 658 726 272 ILE CA C 64.994 0.000 . 659 726 272 ILE CB C 36.935 0.000 . 660 726 272 ILE N N 119.540 0.000 . 661 728 274 ARG H H 7.777 0.016 . 662 728 274 ARG N N 112.597 0.039 . 663 729 275 GLU H H 7.729 0.014 . 664 729 275 GLU N N 121.704 0.033 . 665 730 276 CYS H H 7.307 0.016 . 666 730 276 CYS N N 117.122 0.011 . 667 731 277 TRP H H 6.615 0.013 . 668 731 277 TRP N N 112.018 0.005 . 669 736 282 SER H H 8.032 0.011 . 670 736 282 SER N N 108.541 0.000 . 671 737 283 GLN H H 7.691 0.015 . 672 737 283 GLN N N 119.730 0.021 . 673 738 284 ARG H H 7.040 0.014 . 674 738 284 ARG N N 120.355 0.000 . 675 740 286 THR H H 7.451 0.014 . 676 740 286 THR C C 176.894 0.000 . 677 740 286 THR CA C 59.465 0.000 . 678 740 286 THR CB C 70.848 0.000 . 679 740 286 THR N N 106.748 0.000 . 680 741 287 PHE H H 8.516 0.014 . 681 741 287 PHE C C 177.273 0.000 . 682 741 287 PHE CA C 63.699 0.000 . 683 741 287 PHE CB C 36.787 0.000 . 684 741 287 PHE N N 117.786 0.000 . 685 742 288 LYS H H 8.084 0.014 . 686 742 288 LYS C C 178.678 0.000 . 687 742 288 LYS CA C 59.497 0.000 . 688 742 288 LYS CB C 31.751 0.000 . 689 742 288 LYS N N 119.242 0.000 . 690 743 289 GLN H H 7.387 0.012 . 691 743 289 GLN N N 119.621 0.016 . 692 744 290 LEU H H 8.237 0.011 . 693 744 290 LEU N N 120.495 0.059 . 694 745 291 VAL H H 8.209 0.018 . 695 745 291 VAL N N 119.024 0.147 . 696 746 292 GLU H H 7.200 0.012 . 697 746 292 GLU N N 118.866 0.108 . 698 747 293 ASP H H 8.961 0.014 . 699 747 293 ASP N N 121.691 0.000 . 700 748 294 LEU H H 8.805 0.015 . 701 748 294 LEU N N 120.634 0.003 . 702 749 295 ASP H H 8.653 0.013 . 703 749 295 ASP N N 121.557 0.018 . 704 750 296 ARG H H 7.693 0.013 . 705 750 296 ARG N N 119.690 0.019 . 706 751 297 VAL H H 7.575 0.014 . 707 751 297 VAL C C 179.080 0.000 . 708 751 297 VAL CA C 65.752 0.000 . 709 751 297 VAL CB C 30.459 0.000 . 710 751 297 VAL N N 118.680 0.000 . 711 752 298 LEU H H 8.375 0.014 . 712 752 298 LEU C C 178.992 0.000 . 713 752 298 LEU CB C 40.935 0.000 . 714 752 298 LEU N N 122.324 0.000 . 715 753 299 THR H H 8.180 0.014 . 716 753 299 THR C C 176.396 0.000 . 717 753 299 THR CB C 68.701 0.000 . 718 753 299 THR N N 113.861 0.000 . 719 754 300 VAL C C 177.586 0.000 . 720 754 300 VAL CA C 63.730 0.000 . 721 754 300 VAL CB C 31.085 0.000 . 722 754 300 VAL N N 119.979 0.000 . 723 755 301 THR H H 7.964 0.014 . 724 755 301 THR C C 175.327 0.000 . 725 755 301 THR CB C 68.747 0.000 . 726 755 301 THR N N 116.417 0.000 . 727 756 302 SER H H 8.450 0.004 . 728 756 302 SER N N 115.779 0.039 . 729 757 303 THR H H 7.932 0.014 . 730 757 303 THR N N 114.438 0.088 . 731 758 304 ASP H H 7.991 0.016 . 732 758 304 ASP N N 121.550 0.000 . 733 759 305 GLU H H 7.992 0.011 . 734 759 305 GLU N N 119.831 0.000 . 735 760 306 TYR H H 7.789 0.014 . 736 760 306 TYR N N 120.888 0.000 . 737 761 307 LEU H H 7.436 0.013 . 738 761 307 LEU N N 122.816 0.000 . 739 762 308 ASP H H 8.221 0.014 . 740 762 308 ASP N N 122.148 0.000 . 741 763 309 LEU H H 8.321 0.002 . 742 763 309 LEU CA C 54.231 0.000 . 743 763 309 LEU N N 122.710 0.000 . 744 764 310 SER H H 8.609 0.014 . 745 764 310 SER N N 116.381 0.000 . 746 765 311 ALA H H 8.162 0.014 . 747 765 311 ALA N N 127.105 0.000 . stop_ save_