data_34101 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Dbl-homology domain of Bcr-Abl ; _BMRB_accession_number 34101 _BMRB_flat_file_name bmr34101.str _Entry_type original _Submission_date 2017-02-16 _Accession_date 2017-02-16 _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 Reckel S. . . 2 Lohr F. . . 3 Buchner L. . . 4 Guntert P. . . 5 Dotsch V. . . 6 Hantschel O. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1386 "13C chemical shifts" 1008 "15N chemical shifts" 210 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-26 update BMRB 'update entry citation' 2017-12-21 original author 'original release' stop_ _Original_release_date 2017-03-20 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and functional dissection of the DH and PH domains of oncogenic Bcr-Abl tyrosine kinase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29235475 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Reckel Sina . . 2 Gehin Charlotte . . 3 Tardivon Delphine . . 4 Georgeon Sandrine . . 5 Kukenshoner Tim . . 6 Lohr Frank . . 7 Koide Akiko . . 8 Buchner Lena . . 9 Panjkovich Alejandro . . 10 Reynaud Aline . . 11 Pinho Sara . . 12 Gerig Barbara . . 13 Svergun Dmitri . . 14 Pojer Florence . . 15 Guntert Peter . . 16 Dotsch Volker . . 17 Koide Shohei . . 18 Gavin Anne-Claude C. . 19 Hantschel Oliver . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 8 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2101 _Page_last 2101 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Breakpoint cluster region protein (E.C.2.7.11.1)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 24844.432 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 218 _Mol_residue_sequence ; AMASELDLEKGLEMRKWVLS GILASEETYLSHLEALLLPM KPLKAAATTSQPVLTSQQIE TIFFKVPELYEIHKEFYDGL FPRVQQWSHQQRVGDLFQKL ASQLGVYRAFVDNYGVAMEM AEKCCQANAQFAEISENLRA RSNKDAKDPTTKNSLETLLY KPVDRVTRSTLVLHDLLKHT PASHPDHPLLQDALRISQNF LSSINEEITPRRQSMTVK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 485 ALA 2 486 MET 3 487 ALA 4 488 SER 5 489 GLU 6 490 LEU 7 491 ASP 8 492 LEU 9 493 GLU 10 494 LYS 11 495 GLY 12 496 LEU 13 497 GLU 14 498 MET 15 499 ARG 16 500 LYS 17 501 TRP 18 502 VAL 19 503 LEU 20 504 SER 21 505 GLY 22 506 ILE 23 507 LEU 24 508 ALA 25 509 SER 26 510 GLU 27 511 GLU 28 512 THR 29 513 TYR 30 514 LEU 31 515 SER 32 516 HIS 33 517 LEU 34 518 GLU 35 519 ALA 36 520 LEU 37 521 LEU 38 522 LEU 39 523 PRO 40 524 MET 41 525 LYS 42 526 PRO 43 527 LEU 44 528 LYS 45 529 ALA 46 530 ALA 47 531 ALA 48 532 THR 49 533 THR 50 534 SER 51 535 GLN 52 536 PRO 53 537 VAL 54 538 LEU 55 539 THR 56 540 SER 57 541 GLN 58 542 GLN 59 543 ILE 60 544 GLU 61 545 THR 62 546 ILE 63 547 PHE 64 548 PHE 65 549 LYS 66 550 VAL 67 551 PRO 68 552 GLU 69 553 LEU 70 554 TYR 71 555 GLU 72 556 ILE 73 557 HIS 74 558 LYS 75 559 GLU 76 560 PHE 77 561 TYR 78 562 ASP 79 563 GLY 80 564 LEU 81 565 PHE 82 566 PRO 83 567 ARG 84 568 VAL 85 569 GLN 86 570 GLN 87 571 TRP 88 572 SER 89 573 HIS 90 574 GLN 91 575 GLN 92 576 ARG 93 577 VAL 94 578 GLY 95 579 ASP 96 580 LEU 97 581 PHE 98 582 GLN 99 583 LYS 100 584 LEU 101 585 ALA 102 586 SER 103 587 GLN 104 588 LEU 105 589 GLY 106 590 VAL 107 591 TYR 108 592 ARG 109 593 ALA 110 594 PHE 111 595 VAL 112 596 ASP 113 597 ASN 114 598 TYR 115 599 GLY 116 600 VAL 117 601 ALA 118 602 MET 119 603 GLU 120 604 MET 121 605 ALA 122 606 GLU 123 607 LYS 124 608 CYS 125 609 CYS 126 610 GLN 127 611 ALA 128 612 ASN 129 613 ALA 130 614 GLN 131 615 PHE 132 616 ALA 133 617 GLU 134 618 ILE 135 619 SER 136 620 GLU 137 621 ASN 138 622 LEU 139 623 ARG 140 624 ALA 141 625 ARG 142 626 SER 143 627 ASN 144 628 LYS 145 629 ASP 146 630 ALA 147 631 LYS 148 632 ASP 149 633 PRO 150 634 THR 151 635 THR 152 636 LYS 153 637 ASN 154 638 SER 155 639 LEU 156 640 GLU 157 641 THR 158 642 LEU 159 643 LEU 160 644 TYR 161 645 LYS 162 646 PRO 163 647 VAL 164 648 ASP 165 649 ARG 166 650 VAL 167 651 THR 168 652 ARG 169 653 SER 170 654 THR 171 655 LEU 172 656 VAL 173 657 LEU 174 658 HIS 175 659 ASP 176 660 LEU 177 661 LEU 178 662 LYS 179 663 HIS 180 664 THR 181 665 PRO 182 666 ALA 183 667 SER 184 668 HIS 185 669 PRO 186 670 ASP 187 671 HIS 188 672 PRO 189 673 LEU 190 674 LEU 191 675 GLN 192 676 ASP 193 677 ALA 194 678 LEU 195 679 ARG 196 680 ILE 197 681 SER 198 682 GLN 199 683 ASN 200 684 PHE 201 685 LEU 202 686 SER 203 687 SER 204 688 ILE 205 689 ASN 206 690 GLU 207 691 GLU 208 692 ILE 209 693 THR 210 694 PRO 211 695 ARG 212 696 ARG 213 697 GLN 214 698 SER 215 699 MET 216 700 THR 217 701 VAL 218 702 LYS 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'BCR, BCR1, D22S11' 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.85 mM [U-13C; U-15N] DH, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.85 mM '[U-13C; U-15N]' Hepes 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name FLYA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert P.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _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_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model '600 Bruker Avance' _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model '800 Bruker Avance' _Field_strength 800 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model '900 Bruker Avance' _Field_strength 900 _Details . save_ save_NMR_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model '950 Bruker 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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)HA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)HA' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_(H)CC(CO)NH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCCO)NH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCCO)NH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-1H_COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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' 0.05 . M pH 7.0 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCACB' '3D HN(CA)HA' '3D 1H-13C NOESY' '3D CCH-TOCSY' '3D 1H-15N NOESY' '3D HN(CA)CO' '3D HN(CO)CACB' '3D (H)CC(CO)NH-TOCSY' '3D H(CCCO)NH-TOCSY' '2D 1H-1H COSY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 485 1 ALA H H 8.213 0.020 1 2 485 1 ALA HA H 4.370 0.020 1 3 485 1 ALA HB H 1.401 0.020 1 4 485 1 ALA C C 177.775 0.400 1 5 485 1 ALA CA C 52.680 0.400 1 6 485 1 ALA CB C 19.541 0.400 1 7 485 1 ALA N N 119.313 0.400 1 8 486 2 MET H H 8.470 0.020 1 9 486 2 MET HA H 4.487 0.020 1 10 486 2 MET HB2 H 2.105 0.020 2 11 486 2 MET HB3 H 2.029 0.020 2 12 486 2 MET HG2 H 2.030 0.020 2 13 486 2 MET HG3 H 2.619 0.020 2 14 486 2 MET HE H 2.095 0.020 1 15 486 2 MET C C 176.122 0.400 1 16 486 2 MET CA C 55.441 0.400 1 17 486 2 MET CB C 33.176 0.400 1 18 486 2 MET CG C 32.088 0.400 1 19 486 2 MET CE C 17.117 0.400 1 20 486 2 MET N N 119.801 0.400 1 21 487 3 ALA H H 8.417 0.020 1 22 487 3 ALA HA H 4.348 0.020 1 23 487 3 ALA HB H 1.428 0.020 1 24 487 3 ALA C C 177.851 0.400 1 25 487 3 ALA CA C 52.961 0.400 1 26 487 3 ALA CB C 19.246 0.400 1 27 487 3 ALA N N 125.669 0.400 1 28 488 4 SER H H 8.365 0.020 1 29 488 4 SER HA H 4.454 0.020 1 30 488 4 SER HB2 H 3.968 0.020 2 31 488 4 SER HB3 H 3.897 0.020 2 32 488 4 SER HG H 4.731 0.020 1 33 488 4 SER C C 175.038 0.400 1 34 488 4 SER CA C 58.532 0.400 1 35 488 4 SER CB C 63.979 0.400 1 36 488 4 SER N N 115.009 0.400 1 37 489 5 GLU H H 8.535 0.020 1 38 489 5 GLU HA H 4.271 0.020 1 39 489 5 GLU HB2 H 2.025 0.020 2 40 489 5 GLU HB3 H 2.110 0.020 2 41 489 5 GLU HG2 H 2.109 0.020 2 42 489 5 GLU HG3 H 2.317 0.020 2 43 489 5 GLU C C 177.117 0.400 1 44 489 5 GLU CA C 57.586 0.400 1 45 489 5 GLU CB C 29.954 0.400 1 46 489 5 GLU CG C 36.487 0.400 1 47 489 5 GLU N N 122.701 0.400 1 48 490 6 LEU H H 8.094 0.020 1 49 490 6 LEU HA H 4.294 0.020 1 50 490 6 LEU HB2 H 1.607 0.020 2 51 490 6 LEU HB3 H 1.671 0.020 2 52 490 6 LEU HG H 1.648 0.020 1 53 490 6 LEU HD1 H 0.880 0.020 2 54 490 6 LEU HD2 H 0.939 0.020 2 55 490 6 LEU C C 177.668 0.400 1 56 490 6 LEU CA C 56.054 0.400 1 57 490 6 LEU CB C 42.329 0.400 1 58 490 6 LEU CG C 27.074 0.400 1 59 490 6 LEU CD1 C 23.671 0.400 1 60 490 6 LEU CD2 C 24.899 0.400 1 61 490 6 LEU N N 121.619 0.400 1 62 491 7 ASP H H 8.174 0.020 1 63 491 7 ASP HA H 4.609 0.020 1 64 491 7 ASP HB2 H 2.783 0.020 2 65 491 7 ASP HB3 H 2.752 0.020 2 66 491 7 ASP C C 177.682 0.400 1 67 491 7 ASP CA C 55.196 0.400 1 68 491 7 ASP CB C 41.042 0.400 1 69 491 7 ASP N N 120.935 0.400 1 70 492 8 LEU H H 8.237 0.020 1 71 492 8 LEU HA H 4.249 0.020 1 72 492 8 LEU HB2 H 1.635 0.020 2 73 492 8 LEU HB3 H 1.836 0.020 2 74 492 8 LEU HG H 1.736 0.020 1 75 492 8 LEU HD1 H 0.901 0.020 2 76 492 8 LEU HD2 H 0.901 0.020 2 77 492 8 LEU C C 179.315 0.400 1 78 492 8 LEU CA C 57.129 0.400 1 79 492 8 LEU CB C 42.177 0.400 1 80 492 8 LEU CG C 27.117 0.400 1 81 492 8 LEU CD1 C 23.486 0.400 1 82 492 8 LEU CD2 C 25.096 0.400 1 83 492 8 LEU N N 122.609 0.400 1 84 493 9 GLU H H 8.317 0.020 1 85 493 9 GLU HA H 4.254 0.020 1 86 493 9 GLU HB2 H 2.194 0.020 2 87 493 9 GLU HB3 H 2.354 0.020 2 88 493 9 GLU HG2 H 2.187 0.020 2 89 493 9 GLU HG3 H 2.385 0.020 2 90 493 9 GLU C C 178.425 0.400 1 91 493 9 GLU CA C 58.456 0.400 1 92 493 9 GLU CB C 29.571 0.400 1 93 493 9 GLU CG C 36.380 0.400 1 94 493 9 GLU N N 119.864 0.400 1 95 494 10 LYS H H 8.192 0.020 1 96 494 10 LYS HA H 4.244 0.020 1 97 494 10 LYS HB2 H 1.917 0.020 2 98 494 10 LYS HB3 H 1.915 0.020 2 99 494 10 LYS HG2 H 1.489 0.020 2 100 494 10 LYS HG3 H 1.551 0.020 2 101 494 10 LYS HD2 H 1.551 0.020 2 102 494 10 LYS HD3 H 1.713 0.020 2 103 494 10 LYS HE2 H 2.990 0.020 2 104 494 10 LYS HE3 H 2.990 0.020 2 105 494 10 LYS C C 178.885 0.400 1 106 494 10 LYS CA C 58.273 0.400 1 107 494 10 LYS CB C 32.189 0.400 1 108 494 10 LYS CG C 24.980 0.400 1 109 494 10 LYS CD C 28.960 0.400 1 110 494 10 LYS CE C 42.229 0.400 1 111 494 10 LYS N N 121.193 0.400 1 112 495 11 GLY H H 8.513 0.020 1 113 495 11 GLY HA2 H 4.022 0.020 2 114 495 11 GLY HA3 H 4.194 0.020 2 115 495 11 GLY C C 175.322 0.400 1 116 495 11 GLY CA C 47.059 0.400 1 117 495 11 GLY N N 108.414 0.400 1 118 496 12 LEU H H 7.947 0.020 1 119 496 12 LEU HA H 4.329 0.020 1 120 496 12 LEU HB2 H 1.782 0.020 2 121 496 12 LEU HB3 H 1.945 0.020 2 122 496 12 LEU HG H 1.773 0.020 1 123 496 12 LEU HD1 H 0.678 0.020 2 124 496 12 LEU HD2 H 0.909 0.020 2 125 496 12 LEU C C 179.418 0.400 1 126 496 12 LEU CA C 57.970 0.400 1 127 496 12 LEU CB C 41.823 0.400 1 128 496 12 LEU CG C 26.905 0.400 1 129 496 12 LEU CD1 C 24.774 0.400 1 130 496 12 LEU CD2 C 24.774 0.400 1 131 496 12 LEU N N 122.048 0.400 1 132 497 13 GLU H H 8.151 0.020 1 133 497 13 GLU HA H 4.179 0.020 1 134 497 13 GLU HB2 H 2.109 0.020 2 135 497 13 GLU HB3 H 2.108 0.020 2 136 497 13 GLU HG2 H 2.284 0.020 2 137 497 13 GLU HG3 H 2.341 0.020 2 138 497 13 GLU C C 178.925 0.400 1 139 497 13 GLU CA C 58.700 0.400 1 140 497 13 GLU CB C 29.469 0.400 1 141 497 13 GLU CG C 36.351 0.400 1 142 497 13 GLU N N 120.323 0.400 1 143 498 14 MET H H 8.325 0.020 1 144 498 14 MET HA H 4.379 0.020 1 145 498 14 MET HB2 H 1.221 0.020 2 146 498 14 MET HB3 H 1.853 0.020 2 147 498 14 MET HG2 H 2.300 0.020 2 148 498 14 MET HG3 H 2.348 0.020 2 149 498 14 MET HE H 2.307 0.020 1 150 498 14 MET C C 178.800 0.400 1 151 498 14 MET CA C 57.026 0.400 1 152 498 14 MET CB C 30.371 0.400 1 153 498 14 MET CG C 32.197 0.400 1 154 498 14 MET CE C 16.442 0.400 1 155 498 14 MET N N 119.611 0.400 1 156 499 15 ARG H H 8.578 0.020 1 157 499 15 ARG HA H 3.765 0.020 1 158 499 15 ARG HB2 H 2.031 0.020 2 159 499 15 ARG HB3 H 2.356 0.020 2 160 499 15 ARG HG3 H 0.648 0.020 2 161 499 15 ARG HD2 H 3.329 0.020 2 162 499 15 ARG HD3 H 3.563 0.020 2 163 499 15 ARG HE H 7.706 0.020 1 164 499 15 ARG C C 177.504 0.400 1 165 499 15 ARG CA C 61.355 0.400 1 166 499 15 ARG CB C 31.356 0.400 1 167 499 15 ARG CG C 30.003 0.400 1 168 499 15 ARG CD C 44.518 0.400 1 169 499 15 ARG N N 119.547 0.400 1 170 500 16 LYS H H 7.376 0.020 1 171 500 16 LYS HA H 2.785 0.020 1 172 500 16 LYS HB3 H 1.551 0.020 2 173 500 16 LYS HG2 H 0.726 0.020 2 174 500 16 LYS HG3 H 0.920 0.020 2 175 500 16 LYS HD2 H 0.966 0.020 2 176 500 16 LYS HD3 H 1.417 0.020 2 177 500 16 LYS HE2 H 2.638 0.020 2 178 500 16 LYS HE3 H 2.990 0.020 2 179 500 16 LYS C C 178.167 0.400 1 180 500 16 LYS CA C 60.002 0.400 1 181 500 16 LYS CB C 31.187 0.400 1 182 500 16 LYS CG C 21.929 0.400 1 183 500 16 LYS CD C 26.715 0.400 1 184 500 16 LYS CE C 42.186 0.400 1 185 500 16 LYS N N 118.495 0.400 1 186 501 17 TRP H H 8.021 0.020 1 187 501 17 TRP HA H 4.267 0.020 1 188 501 17 TRP HB2 H 3.320 0.020 2 189 501 17 TRP HB3 H 3.556 0.020 2 190 501 17 TRP HD1 H 7.205 0.020 1 191 501 17 TRP HE1 H 10.145 0.020 1 192 501 17 TRP HE3 H 7.581 0.020 1 193 501 17 TRP HZ2 H 7.463 0.020 1 194 501 17 TRP HZ3 H 7.102 0.020 1 195 501 17 TRP HH2 H 7.206 0.020 1 196 501 17 TRP C C 179.832 0.400 1 197 501 17 TRP CA C 60.909 0.400 1 198 501 17 TRP CB C 28.592 0.400 1 199 501 17 TRP CD1 C 127.257 0.400 1 200 501 17 TRP CE3 C 120.893 0.400 1 201 501 17 TRP CZ2 C 114.679 0.400 1 202 501 17 TRP CZ3 C 121.848 0.400 1 203 501 17 TRP CH2 C 124.559 0.400 1 204 501 17 TRP N N 121.129 0.400 1 205 501 17 TRP NE1 N 129.581 0.400 1 206 502 18 VAL H H 8.488 0.020 1 207 502 18 VAL HA H 3.493 0.020 1 208 502 18 VAL HB H 1.944 0.020 1 209 502 18 VAL HG1 H 0.910 0.020 2 210 502 18 VAL HG2 H 1.152 0.020 2 211 502 18 VAL C C 179.887 0.400 1 212 502 18 VAL CA C 66.505 0.400 1 213 502 18 VAL CB C 31.900 0.400 1 214 502 18 VAL CG1 C 22.076 0.400 1 215 502 18 VAL CG2 C 23.604 0.400 1 216 502 18 VAL N N 121.007 0.400 1 217 503 19 LEU H H 8.155 0.020 1 218 503 19 LEU HA H 4.022 0.020 1 219 503 19 LEU HB2 H 1.414 0.020 2 220 503 19 LEU HB3 H 1.548 0.020 2 221 503 19 LEU HG H 0.628 0.020 1 222 503 19 LEU HD1 H 1.094 0.020 2 223 503 19 LEU HD2 H 0.617 0.020 2 224 503 19 LEU C C 178.572 0.400 1 225 503 19 LEU CA C 58.019 0.400 1 226 503 19 LEU CB C 41.889 0.400 1 227 503 19 LEU CG C 28.165 0.400 1 228 503 19 LEU CD1 C 24.394 0.400 1 229 503 19 LEU CD2 C 24.394 0.400 1 230 503 19 LEU N N 120.310 0.400 1 231 504 20 SER H H 8.860 0.020 1 232 504 20 SER HA H 4.037 0.020 1 233 504 20 SER HB2 H 3.795 0.020 2 234 504 20 SER HB3 H 3.901 0.020 2 235 504 20 SER HG H 4.268 0.020 1 236 504 20 SER C C 177.326 0.400 1 237 504 20 SER CA C 62.435 0.400 1 238 504 20 SER CB C 62.558 0.400 1 239 504 20 SER N N 117.181 0.400 1 240 505 21 GLY H H 7.728 0.020 1 241 505 21 GLY HA2 H 3.891 0.020 2 242 505 21 GLY HA3 H 3.892 0.020 2 243 505 21 GLY C C 177.055 0.400 1 244 505 21 GLY CA C 47.018 0.400 1 245 505 21 GLY N N 111.128 0.400 1 246 506 22 ILE H H 8.024 0.020 1 247 506 22 ILE HA H 3.951 0.020 1 248 506 22 ILE HB H 2.203 0.020 1 249 506 22 ILE HG12 H 1.230 0.020 2 250 506 22 ILE HG13 H 1.997 0.020 2 251 506 22 ILE HG2 H 1.141 0.020 1 252 506 22 ILE HD1 H 1.070 0.020 1 253 506 22 ILE C C 178.258 0.400 1 254 506 22 ILE CA C 65.480 0.400 1 255 506 22 ILE CB C 38.112 0.400 1 256 506 22 ILE CG1 C 29.448 0.400 1 257 506 22 ILE CG2 C 16.803 0.400 1 258 506 22 ILE CD1 C 15.293 0.400 1 259 506 22 ILE N N 125.080 0.400 1 260 507 23 LEU H H 8.441 0.020 1 261 507 23 LEU HA H 4.086 0.020 1 262 507 23 LEU HB2 H 1.752 0.020 2 263 507 23 LEU HB3 H 2.006 0.020 2 264 507 23 LEU HG H 0.555 0.020 1 265 507 23 LEU HD1 H 0.680 0.020 2 266 507 23 LEU HD2 H 0.680 0.020 2 267 507 23 LEU C C 178.466 0.400 1 268 507 23 LEU CA C 59.002 0.400 1 269 507 23 LEU CB C 42.088 0.400 1 270 507 23 LEU CG C 26.620 0.400 1 271 507 23 LEU CD1 C 24.555 0.400 1 272 507 23 LEU CD2 C 24.555 0.400 1 273 507 23 LEU N N 120.976 0.400 1 274 508 24 ALA H H 7.798 0.020 1 275 508 24 ALA HA H 4.364 0.020 1 276 508 24 ALA HB H 1.572 0.020 1 277 508 24 ALA C C 181.077 0.400 1 278 508 24 ALA CA C 55.351 0.400 1 279 508 24 ALA CB C 18.199 0.400 1 280 508 24 ALA N N 120.496 0.400 1 281 509 25 SER H H 8.283 0.020 1 282 509 25 SER HA H 4.357 0.020 1 283 509 25 SER HB2 H 4.015 0.020 2 284 509 25 SER HB3 H 4.088 0.020 2 285 509 25 SER HG H 7.623 0.020 1 286 509 25 SER C C 178.163 0.400 1 287 509 25 SER CA C 61.530 0.400 1 288 509 25 SER CB C 62.750 0.400 1 289 509 25 SER N N 114.149 0.400 1 290 510 26 GLU H H 9.219 0.020 1 291 510 26 GLU HA H 4.518 0.020 1 292 510 26 GLU HB2 H 2.526 0.020 2 293 510 26 GLU HB3 H 2.607 0.020 2 294 510 26 GLU HG2 H 2.613 0.020 2 295 510 26 GLU HG3 H 2.701 0.020 2 296 510 26 GLU C C 178.217 0.400 1 297 510 26 GLU CA C 58.988 0.400 1 298 510 26 GLU CB C 30.451 0.400 1 299 510 26 GLU CG C 36.831 0.400 1 300 510 26 GLU N N 126.678 0.400 1 301 511 27 GLU H H 8.580 0.020 1 302 511 27 GLU HA H 3.578 0.020 1 303 511 27 GLU HB2 H 2.161 0.020 2 304 511 27 GLU HB3 H 2.343 0.020 2 305 511 27 GLU HG2 H 2.110 0.020 2 306 511 27 GLU HG3 H 2.437 0.020 2 307 511 27 GLU C C 179.897 0.400 1 308 511 27 GLU CA C 60.235 0.400 1 309 511 27 GLU CB C 29.191 0.400 1 310 511 27 GLU CG C 36.606 0.400 1 311 511 27 GLU N N 120.452 0.400 1 312 512 28 THR H H 7.628 0.020 1 313 512 28 THR HA H 3.783 0.020 1 314 512 28 THR HB H 4.211 0.020 1 315 512 28 THR HG1 H 4.351 0.020 1 316 512 28 THR HG2 H 1.151 0.020 1 317 512 28 THR C C 175.885 0.400 1 318 512 28 THR CA C 66.366 0.400 1 319 512 28 THR CB C 68.661 0.400 1 320 512 28 THR CG2 C 22.299 0.400 1 321 512 28 THR N N 116.222 0.400 1 322 513 29 TYR H H 8.196 0.020 1 323 513 29 TYR HA H 4.649 0.020 1 324 513 29 TYR HB2 H 3.011 0.020 2 325 513 29 TYR HB3 H 3.208 0.020 2 326 513 29 TYR HD1 H 6.893 0.020 1 327 513 29 TYR HD2 H 7.045 0.020 1 328 513 29 TYR HE1 H 6.754 0.020 1 329 513 29 TYR HE2 H 6.752 0.020 1 330 513 29 TYR HH H 9.166 0.020 1 331 513 29 TYR C C 177.520 0.400 1 332 513 29 TYR CA C 60.219 0.400 1 333 513 29 TYR CB C 38.297 0.400 1 334 513 29 TYR CD1 C 131.844 0.400 1 335 513 29 TYR CD2 C 133.099 0.400 1 336 513 29 TYR CE1 C 118.193 0.400 1 337 513 29 TYR CE2 C 118.160 0.400 1 338 513 29 TYR N N 124.056 0.400 1 339 514 30 LEU H H 9.176 0.020 1 340 514 30 LEU HA H 3.736 0.020 1 341 514 30 LEU HB2 H 1.342 0.020 2 342 514 30 LEU HB3 H 1.830 0.020 2 343 514 30 LEU HG H 1.655 0.020 1 344 514 30 LEU HD1 H 0.487 0.020 2 345 514 30 LEU HD2 H 0.527 0.020 2 346 514 30 LEU C C 179.119 0.400 1 347 514 30 LEU CA C 58.507 0.400 1 348 514 30 LEU CB C 41.606 0.400 1 349 514 30 LEU CG C 27.553 0.400 1 350 514 30 LEU CD1 C 24.638 0.400 1 351 514 30 LEU CD2 C 24.953 0.400 1 352 514 30 LEU N N 119.024 0.400 1 353 515 31 SER H H 7.618 0.020 1 354 515 31 SER HA H 4.317 0.020 1 355 515 31 SER HB2 H 3.942 0.020 2 356 515 31 SER HB3 H 3.945 0.020 2 357 515 31 SER HG H 8.194 0.020 1 358 515 31 SER C C 177.437 0.400 1 359 515 31 SER CA C 61.704 0.400 1 360 515 31 SER CB C 62.484 0.400 1 361 515 31 SER N N 114.894 0.400 1 362 516 32 HIS H H 7.856 0.020 1 363 516 32 HIS HA H 4.601 0.020 1 364 516 32 HIS HB2 H 2.999 0.020 2 365 516 32 HIS HB3 H 3.556 0.020 2 366 516 32 HIS HD1 H 6.980 0.020 1 367 516 32 HIS HD2 H 7.128 0.020 1 368 516 32 HIS HE1 H 7.448 0.020 1 369 516 32 HIS C C 177.661 0.400 1 370 516 32 HIS CA C 59.060 0.400 1 371 516 32 HIS CB C 30.470 0.400 1 372 516 32 HIS CD2 C 118.135 0.400 1 373 516 32 HIS CE1 C 138.111 0.400 1 374 516 32 HIS N N 124.612 0.400 1 375 517 33 LEU H H 8.345 0.020 1 376 517 33 LEU HA H 3.988 0.020 1 377 517 33 LEU HB2 H 1.340 0.020 2 378 517 33 LEU HB3 H 2.036 0.020 2 379 517 33 LEU HG H 1.051 0.020 1 380 517 33 LEU HD1 H 0.578 0.020 2 381 517 33 LEU HD2 H 0.258 0.020 2 382 517 33 LEU C C 179.210 0.400 1 383 517 33 LEU CA C 58.021 0.400 1 384 517 33 LEU CB C 42.833 0.400 1 385 517 33 LEU CG C 25.744 0.400 1 386 517 33 LEU CD1 C 21.297 0.400 1 387 517 33 LEU CD2 C 25.726 0.400 1 388 517 33 LEU N N 118.445 0.400 1 389 518 34 GLU H H 8.873 0.020 1 390 518 34 GLU HA H 3.587 0.020 1 391 518 34 GLU HB2 H 2.056 0.020 2 392 518 34 GLU HB3 H 2.218 0.020 2 393 518 34 GLU HG2 H 2.049 0.020 2 394 518 34 GLU HG3 H 2.365 0.020 2 395 518 34 GLU C C 178.339 0.400 1 396 518 34 GLU CA C 59.707 0.400 1 397 518 34 GLU CB C 29.849 0.400 1 398 518 34 GLU CG C 36.288 0.400 1 399 518 34 GLU N N 118.616 0.400 1 400 519 35 ALA H H 7.697 0.020 1 401 519 35 ALA HA H 4.076 0.020 1 402 519 35 ALA HB H 1.529 0.020 1 403 519 35 ALA C C 178.853 0.400 1 404 519 35 ALA CA C 54.865 0.400 1 405 519 35 ALA CB C 18.375 0.400 1 406 519 35 ALA N N 120.401 0.400 1 407 520 36 LEU H H 7.403 0.020 1 408 520 36 LEU HA H 4.242 0.020 1 409 520 36 LEU HB2 H 1.732 0.020 2 410 520 36 LEU HB3 H 2.137 0.020 2 411 520 36 LEU HG H 1.872 0.020 1 412 520 36 LEU HD1 H 0.952 0.020 2 413 520 36 LEU HD2 H 0.955 0.020 2 414 520 36 LEU C C 176.377 0.400 1 415 520 36 LEU CA C 57.057 0.400 1 416 520 36 LEU CB C 44.023 0.400 1 417 520 36 LEU CG C 25.009 0.400 1 418 520 36 LEU CD1 C 25.009 0.400 1 419 520 36 LEU CD2 C 25.009 0.400 1 420 520 36 LEU N N 116.023 0.400 1 421 521 37 LEU H H 7.774 0.020 1 422 521 37 LEU HA H 3.979 0.020 1 423 521 37 LEU HB2 H 1.349 0.020 2 424 521 37 LEU HB3 H 1.593 0.020 2 425 521 37 LEU HG H 0.463 0.020 1 426 521 37 LEU HD1 H 0.634 0.020 2 427 521 37 LEU HD2 H 0.458 0.020 2 428 521 37 LEU C C 180.511 0.400 1 429 521 37 LEU CA C 56.589 0.400 1 430 521 37 LEU CB C 43.053 0.400 1 431 521 37 LEU CG C 26.618 0.400 1 432 521 37 LEU CD1 C 24.985 0.400 1 433 521 37 LEU CD2 C 24.810 0.400 1 434 521 37 LEU N N 114.902 0.400 1 435 522 38 LEU H H 7.908 0.020 1 436 522 38 LEU HA H 4.129 0.020 1 437 522 38 LEU HB2 H 1.657 0.020 2 438 522 38 LEU HB3 H 1.943 0.020 2 439 522 38 LEU HG H 1.829 0.020 1 440 522 38 LEU HD1 H 0.892 0.020 2 441 522 38 LEU HD2 H 0.947 0.020 2 442 522 38 LEU C C 176.822 0.400 1 443 522 38 LEU CA C 60.029 0.400 1 444 522 38 LEU CB C 39.429 0.400 1 445 522 38 LEU CG C 26.941 0.400 1 446 522 38 LEU CD1 C 23.733 0.400 1 447 522 38 LEU CD2 C 23.816 0.400 1 448 522 38 LEU N N 121.522 0.400 1 449 523 39 PRO HA H 4.457 0.020 1 450 523 39 PRO HB2 H 1.700 0.020 2 451 523 39 PRO HB3 H 2.249 0.020 2 452 523 39 PRO HG2 H 1.950 0.020 2 453 523 39 PRO HG3 H 1.950 0.020 2 454 523 39 PRO HD2 H 3.581 0.020 2 455 523 39 PRO HD3 H 3.932 0.020 2 456 523 39 PRO C C 176.955 0.400 1 457 523 39 PRO CA C 64.467 0.400 1 458 523 39 PRO CB C 31.477 0.400 1 459 523 39 PRO CG C 27.610 0.400 1 460 523 39 PRO CD C 50.698 0.400 1 461 524 40 MET H H 7.472 0.020 1 462 524 40 MET HA H 3.258 0.020 1 463 524 40 MET HB2 H 1.368 0.020 2 464 524 40 MET HB3 H 1.773 0.020 2 465 524 40 MET HG2 H 1.372 0.020 2 466 524 40 MET HG3 H 2.179 0.020 2 467 524 40 MET HE H 2.165 0.020 1 468 524 40 MET C C 177.307 0.400 1 469 524 40 MET CA C 61.019 0.400 1 470 524 40 MET CB C 32.779 0.400 1 471 524 40 MET CG C 32.871 0.400 1 472 524 40 MET CE C 17.314 0.400 1 473 524 40 MET N N 116.386 0.400 1 474 525 41 LYS H H 7.789 0.020 1 475 525 41 LYS HA H 4.165 0.020 1 476 525 41 LYS HB2 H 1.969 0.020 2 477 525 41 LYS HB3 H 1.973 0.020 2 478 525 41 LYS HG2 H 1.554 0.020 2 479 525 41 LYS HG3 H 1.553 0.020 2 480 525 41 LYS HD2 H 1.352 0.020 2 481 525 41 LYS HD3 H 1.689 0.020 2 482 525 41 LYS HE2 H 2.983 0.020 2 483 525 41 LYS HE3 H 2.983 0.020 2 484 525 41 LYS C C 176.849 0.400 1 485 525 41 LYS CA C 61.905 0.400 1 486 525 41 LYS CB C 29.498 0.400 1 487 525 41 LYS CG C 25.572 0.400 1 488 525 41 LYS CD C 25.565 0.400 1 489 525 41 LYS CE C 42.163 0.400 1 490 525 41 LYS N N 116.439 0.400 1 491 526 42 PRO HA H 4.454 0.020 1 492 526 42 PRO HB2 H 1.934 0.020 2 493 526 42 PRO HB3 H 2.294 0.020 2 494 526 42 PRO HG2 H 2.049 0.020 2 495 526 42 PRO HG3 H 2.216 0.020 2 496 526 42 PRO HD2 H 3.537 0.020 2 497 526 42 PRO HD3 H 3.998 0.020 2 498 526 42 PRO C C 180.728 0.400 1 499 526 42 PRO CA C 65.496 0.400 1 500 526 42 PRO CB C 30.700 0.400 1 501 526 42 PRO CG C 27.790 0.400 1 502 526 42 PRO CD C 50.100 0.400 1 503 527 43 LEU H H 7.724 0.020 1 504 527 43 LEU HA H 4.162 0.020 1 505 527 43 LEU HB2 H 0.717 0.020 2 506 527 43 LEU HB3 H 1.715 0.020 2 507 527 43 LEU HG H 0.973 0.020 1 508 527 43 LEU HD1 H 0.702 0.020 2 509 527 43 LEU HD2 H 0.980 0.020 2 510 527 43 LEU C C 179.897 0.400 1 511 527 43 LEU CA C 58.287 0.400 1 512 527 43 LEU CB C 41.857 0.400 1 513 527 43 LEU CG C 26.974 0.400 1 514 527 43 LEU CD1 C 23.444 0.400 1 515 527 43 LEU CD2 C 23.444 0.400 1 516 527 43 LEU N N 118.734 0.400 1 517 528 44 LYS H H 8.769 0.020 1 518 528 44 LYS HA H 3.870 0.020 1 519 528 44 LYS HB2 H 1.915 0.020 2 520 528 44 LYS HB3 H 1.917 0.020 2 521 528 44 LYS HG2 H 1.461 0.020 2 522 528 44 LYS HG3 H 1.718 0.020 2 523 528 44 LYS HD2 H 1.639 0.020 2 524 528 44 LYS HD3 H 1.644 0.020 2 525 528 44 LYS HE2 H 2.857 0.020 2 526 528 44 LYS HE3 H 2.930 0.020 2 527 528 44 LYS C C 179.234 0.400 1 528 528 44 LYS CA C 60.236 0.400 1 529 528 44 LYS CB C 32.177 0.400 1 530 528 44 LYS CG C 26.977 0.400 1 531 528 44 LYS CD C 29.521 0.400 1 532 528 44 LYS CE C 41.926 0.400 1 533 528 44 LYS N N 121.713 0.400 1 534 529 45 ALA H H 8.012 0.020 1 535 529 45 ALA HA H 4.187 0.020 1 536 529 45 ALA HB H 1.467 0.020 1 537 529 45 ALA C C 180.241 0.400 1 538 529 45 ALA CA C 54.838 0.400 1 539 529 45 ALA CB C 17.896 0.400 1 540 529 45 ALA N N 121.473 0.400 1 541 530 46 ALA H H 7.790 0.020 1 542 530 46 ALA HA H 4.317 0.020 1 543 530 46 ALA HB H 1.617 0.020 1 544 530 46 ALA C C 180.508 0.400 1 545 530 46 ALA CA C 53.909 0.400 1 546 530 46 ALA CB C 17.788 0.400 1 547 530 46 ALA N N 118.343 0.400 1 548 531 47 ALA H H 7.776 0.020 1 549 531 47 ALA HA H 4.212 0.020 1 550 531 47 ALA HB H 1.623 0.020 1 551 531 47 ALA C C 178.006 0.400 1 552 531 47 ALA CA C 55.001 0.400 1 553 531 47 ALA CB C 18.351 0.400 1 554 531 47 ALA N N 121.495 0.400 1 555 532 48 THR H H 7.321 0.020 1 556 532 48 THR HA H 4.603 0.020 1 557 532 48 THR HB H 4.600 0.020 1 558 532 48 THR HG1 H 4.195 0.020 1 559 532 48 THR HG2 H 1.292 0.020 1 560 532 48 THR C C 174.749 0.400 1 561 532 48 THR CA C 61.233 0.400 1 562 532 48 THR CB C 68.698 0.400 1 563 532 48 THR CG2 C 21.539 0.400 1 564 532 48 THR N N 105.405 0.400 1 565 533 49 THR H H 7.407 0.020 1 566 533 49 THR HA H 4.834 0.020 1 567 533 49 THR HB H 4.592 0.020 1 568 533 49 THR HG1 H 5.584 0.020 1 569 533 49 THR HG2 H 1.358 0.020 1 570 533 49 THR C C 174.020 0.400 1 571 533 49 THR CA C 60.885 0.400 1 572 533 49 THR CB C 72.614 0.400 1 573 533 49 THR CG2 C 21.334 0.400 1 574 533 49 THR N N 112.255 0.400 1 575 534 50 SER H H 8.000 0.020 1 576 534 50 SER HA H 4.424 0.020 1 577 534 50 SER HB2 H 4.006 0.020 2 578 534 50 SER HB3 H 4.107 0.020 2 579 534 50 SER HG H 4.275 0.020 1 580 534 50 SER C C 174.032 0.400 1 581 534 50 SER CA C 59.322 0.400 1 582 534 50 SER CB C 63.435 0.400 1 583 534 50 SER N N 120.507 0.400 1 584 535 51 GLN H H 8.005 0.020 1 585 535 51 GLN HA H 4.796 0.020 1 586 535 51 GLN HB2 H 1.825 0.020 2 587 535 51 GLN HB3 H 2.082 0.020 2 588 535 51 GLN HG2 H 2.285 0.020 2 589 535 51 GLN HG3 H 2.285 0.020 2 590 535 51 GLN HE21 H 7.751 0.020 2 591 535 51 GLN HE22 H 7.483 0.020 2 592 535 51 GLN C C 171.477 0.400 1 593 535 51 GLN CA C 53.229 0.400 1 594 535 51 GLN CB C 29.570 0.400 1 595 535 51 GLN CG C 30.876 0.400 1 596 535 51 GLN N N 120.375 0.400 1 597 535 51 GLN NE2 N 115.331 0.400 1 598 536 52 PRO HA H 4.163 0.020 1 599 536 52 PRO HB2 H 1.913 0.020 2 600 536 52 PRO HB3 H 1.594 0.020 2 601 536 52 PRO HG2 H 1.905 0.020 2 602 536 52 PRO HG3 H 1.980 0.020 2 603 536 52 PRO HD2 H 3.449 0.020 2 604 536 52 PRO HD3 H 3.454 0.020 2 605 536 52 PRO C C 176.839 0.400 1 606 536 52 PRO CA C 63.246 0.400 1 607 536 52 PRO CB C 32.382 0.400 1 608 536 52 PRO CG C 27.068 0.400 1 609 536 52 PRO CD C 49.864 0.400 1 610 537 53 VAL H H 7.782 0.020 1 611 537 53 VAL HA H 4.133 0.020 1 612 537 53 VAL HB H 0.945 0.020 1 613 537 53 VAL HG1 H 0.948 0.020 2 614 537 53 VAL HG2 H 0.945 0.020 2 615 537 53 VAL C C 174.933 0.400 1 616 537 53 VAL CA C 64.880 0.400 1 617 537 53 VAL CB C 32.380 0.400 1 618 537 53 VAL CG1 C 21.294 0.400 1 619 537 53 VAL CG2 C 21.294 0.400 1 620 537 53 VAL N N 122.119 0.400 1 621 538 54 LEU H H 7.189 0.020 1 622 538 54 LEU HA H 4.807 0.020 1 623 538 54 LEU HB2 H 0.709 0.020 2 624 538 54 LEU HB3 H 1.998 0.020 2 625 538 54 LEU HG H 1.379 0.020 1 626 538 54 LEU HD1 H 0.369 0.020 2 627 538 54 LEU HD2 H 0.407 0.020 2 628 538 54 LEU C C 177.718 0.400 1 629 538 54 LEU CA C 52.733 0.400 1 630 538 54 LEU CB C 45.629 0.400 1 631 538 54 LEU CG C 27.338 0.400 1 632 538 54 LEU CD1 C 26.009 0.400 1 633 538 54 LEU CD2 C 21.540 0.400 1 634 538 54 LEU N N 113.651 0.400 1 635 539 55 THR H H 8.598 0.020 1 636 539 55 THR HA H 4.593 0.020 1 637 539 55 THR HB H 4.722 0.020 1 638 539 55 THR HG1 H 7.658 0.020 1 639 539 55 THR HG2 H 1.238 0.020 1 640 539 55 THR C C 176.192 0.400 1 641 539 55 THR CA C 60.776 0.400 1 642 539 55 THR CB C 70.675 0.400 1 643 539 55 THR CG2 C 21.654 0.400 1 644 539 55 THR N N 110.999 0.400 1 645 540 56 SER H H 9.183 0.020 1 646 540 56 SER HA H 4.042 0.020 1 647 540 56 SER HB2 H 3.907 0.020 2 648 540 56 SER HB3 H 3.909 0.020 2 649 540 56 SER HG H 4.728 0.020 1 650 540 56 SER C C 176.422 0.400 1 651 540 56 SER CA C 62.565 0.400 1 652 540 56 SER CB C 62.684 0.400 1 653 540 56 SER N N 116.484 0.400 1 654 541 57 GLN H H 8.414 0.020 1 655 541 57 GLN HA H 4.079 0.020 1 656 541 57 GLN HB2 H 1.939 0.020 2 657 541 57 GLN HB3 H 2.071 0.020 2 658 541 57 GLN HG2 H 2.066 0.020 2 659 541 57 GLN HG3 H 2.381 0.020 2 660 541 57 GLN HE21 H 6.814 0.020 2 661 541 57 GLN HE22 H 6.916 0.020 2 662 541 57 GLN C C 179.019 0.400 1 663 541 57 GLN CA C 59.234 0.400 1 664 541 57 GLN CB C 28.168 0.400 1 665 541 57 GLN CG C 34.089 0.400 1 666 541 57 GLN N N 119.575 0.400 1 667 542 58 GLN H H 7.662 0.020 1 668 542 58 GLN HA H 3.913 0.020 1 669 542 58 GLN HB2 H 2.028 0.020 2 670 542 58 GLN HB3 H 2.306 0.020 2 671 542 58 GLN HG2 H 2.439 0.020 2 672 542 58 GLN HG3 H 2.434 0.020 2 673 542 58 GLN HE21 H 6.816 0.020 2 674 542 58 GLN HE22 H 7.566 0.020 2 675 542 58 GLN C C 178.361 0.400 1 676 542 58 GLN CA C 59.463 0.400 1 677 542 58 GLN CB C 28.651 0.400 1 678 542 58 GLN CG C 32.674 0.400 1 679 542 58 GLN N N 120.330 0.400 1 680 543 59 ILE H H 8.225 0.020 1 681 543 59 ILE HA H 3.624 0.020 1 682 543 59 ILE HB H 2.018 0.020 1 683 543 59 ILE HG12 H 0.363 0.020 2 684 543 59 ILE HG13 H 0.803 0.020 2 685 543 59 ILE HG2 H 0.909 0.020 1 686 543 59 ILE HD1 H 0.692 0.020 1 687 543 59 ILE C C 177.468 0.400 1 688 543 59 ILE CA C 66.115 0.400 1 689 543 59 ILE CB C 38.938 0.400 1 690 543 59 ILE CG1 C 26.053 0.400 1 691 543 59 ILE CG2 C 17.570 0.400 1 692 543 59 ILE CD1 C 14.824 0.400 1 693 543 59 ILE N N 119.162 0.400 1 694 544 60 GLU H H 8.145 0.020 1 695 544 60 GLU HA H 4.119 0.020 1 696 544 60 GLU HB2 H 2.100 0.020 2 697 544 60 GLU HB3 H 2.097 0.020 2 698 544 60 GLU HG2 H 2.106 0.020 2 699 544 60 GLU HG3 H 2.448 0.020 2 700 544 60 GLU C C 178.136 0.400 1 701 544 60 GLU CA C 58.572 0.400 1 702 544 60 GLU CB C 29.421 0.400 1 703 544 60 GLU CG C 36.326 0.400 1 704 544 60 GLU N N 116.690 0.400 1 705 545 61 THR H H 7.557 0.020 1 706 545 61 THR HA H 4.067 0.020 1 707 545 61 THR HB H 4.194 0.020 1 708 545 61 THR HG1 H 3.905 0.020 1 709 545 61 THR HG2 H 1.096 0.020 1 710 545 61 THR C C 175.139 0.400 1 711 545 61 THR CA C 66.840 0.400 1 712 545 61 THR CB C 69.292 0.400 1 713 545 61 THR CG2 C 22.214 0.400 1 714 545 61 THR N N 113.422 0.400 1 715 546 62 ILE H H 7.937 0.020 1 716 546 62 ILE HA H 3.470 0.020 1 717 546 62 ILE HB H 1.359 0.020 1 718 546 62 ILE HG12 H 0.370 0.020 2 719 546 62 ILE HG13 H 1.336 0.020 2 720 546 62 ILE HG2 H 0.070 0.020 1 721 546 62 ILE HD1 H 0.550 0.020 1 722 546 62 ILE C C 175.452 0.400 1 723 546 62 ILE CA C 65.973 0.400 1 724 546 62 ILE CB C 39.002 0.400 1 725 546 62 ILE CG1 C 25.080 0.400 1 726 546 62 ILE CG2 C 16.745 0.400 1 727 546 62 ILE CD1 C 14.496 0.400 1 728 546 62 ILE N N 119.110 0.400 1 729 547 63 PHE H H 7.951 0.020 1 730 547 63 PHE HA H 4.524 0.020 1 731 547 63 PHE HB2 H 2.936 0.020 2 732 547 63 PHE HB3 H 3.740 0.020 2 733 547 63 PHE HD1 H 7.353 0.020 1 734 547 63 PHE HD2 H 7.554 0.020 1 735 547 63 PHE HE1 H 7.554 0.020 1 736 547 63 PHE HZ H 7.013 0.020 1 737 547 63 PHE C C 175.611 0.400 1 738 547 63 PHE CA C 57.803 0.400 1 739 547 63 PHE CB C 37.429 0.400 1 740 547 63 PHE CD1 C 132.607 0.400 1 741 547 63 PHE CD2 C 132.616 0.400 1 742 547 63 PHE CE1 C 130.948 0.400 1 743 547 63 PHE CE2 C 132.573 0.400 1 744 547 63 PHE CZ C 127.635 0.400 1 745 547 63 PHE N N 111.095 0.400 1 746 548 64 PHE H H 6.788 0.020 1 747 548 64 PHE HA H 4.457 0.020 1 748 548 64 PHE HB2 H 3.035 0.020 2 749 548 64 PHE HB3 H 3.712 0.020 2 750 548 64 PHE HD1 H 7.354 0.020 1 751 548 64 PHE HD2 H 7.356 0.020 1 752 548 64 PHE HE1 H 6.798 0.020 1 753 548 64 PHE HE2 H 7.361 0.020 1 754 548 64 PHE HZ H 7.369 0.020 1 755 548 64 PHE C C 175.755 0.400 1 756 548 64 PHE CA C 60.135 0.400 1 757 548 64 PHE CB C 40.498 0.400 1 758 548 64 PHE CD1 C 132.222 0.400 1 759 548 64 PHE CD2 C 132.135 0.400 1 760 548 64 PHE CE1 C 129.761 0.400 1 761 548 64 PHE CE2 C 131.933 0.400 1 762 548 64 PHE CZ C 129.738 0.400 1 763 548 64 PHE N N 124.593 0.400 1 764 549 65 LYS H H 8.605 0.020 1 765 549 65 LYS HA H 4.174 0.020 1 766 549 65 LYS HB2 H 1.671 0.020 2 767 549 65 LYS HB3 H 1.987 0.020 2 768 549 65 LYS HG2 H 0.737 0.020 2 769 549 65 LYS HG3 H 1.162 0.020 2 770 549 65 LYS HD2 H 0.922 0.020 2 771 549 65 LYS HD3 H 1.659 0.020 2 772 549 65 LYS HE2 H 2.364 0.020 2 773 549 65 LYS HE3 H 2.512 0.020 2 774 549 65 LYS C C 175.510 0.400 1 775 549 65 LYS CA C 56.163 0.400 1 776 549 65 LYS CB C 29.547 0.400 1 777 549 65 LYS CG C 23.424 0.400 1 778 549 65 LYS CD C 27.119 0.400 1 779 549 65 LYS CE C 42.410 0.400 1 780 549 65 LYS N N 116.115 0.400 1 781 550 66 VAL H H 8.175 0.020 1 782 550 66 VAL HA H 3.771 0.020 1 783 550 66 VAL HB H 2.490 0.020 1 784 550 66 VAL HG1 H 1.038 0.020 2 785 550 66 VAL HG2 H 1.164 0.020 2 786 550 66 VAL C C 174.499 0.400 1 787 550 66 VAL CA C 69.241 0.400 1 788 550 66 VAL CB C 29.523 0.400 1 789 550 66 VAL CG1 C 22.492 0.400 1 790 550 66 VAL CG2 C 23.650 0.400 1 791 550 66 VAL N N 121.250 0.400 1 792 551 67 PRO HA H 4.207 0.020 1 793 551 67 PRO HB2 H 1.810 0.020 2 794 551 67 PRO HB3 H 2.363 0.020 2 795 551 67 PRO HG2 H 1.785 0.020 2 796 551 67 PRO HG3 H 2.222 0.020 2 797 551 67 PRO HD2 H 3.885 0.020 2 798 551 67 PRO HD3 H 3.886 0.020 2 799 551 67 PRO C C 179.353 0.400 1 800 551 67 PRO CA C 66.601 0.400 1 801 551 67 PRO CB C 30.750 0.400 1 802 551 67 PRO CG C 28.781 0.400 1 803 552 68 GLU H H 8.215 0.020 1 804 552 68 GLU HA H 3.986 0.020 1 805 552 68 GLU HB2 H 1.829 0.020 2 806 552 68 GLU HB3 H 2.025 0.020 2 807 552 68 GLU HG2 H 2.262 0.020 2 808 552 68 GLU HG3 H 2.449 0.020 2 809 552 68 GLU C C 179.060 0.400 1 810 552 68 GLU CA C 61.240 0.400 1 811 552 68 GLU CB C 29.221 0.400 1 812 552 68 GLU CG C 38.290 0.400 1 813 552 68 GLU N N 118.488 0.400 1 814 553 69 LEU H H 8.480 0.020 1 815 553 69 LEU HA H 3.926 0.020 1 816 553 69 LEU HB2 H 1.534 0.020 2 817 553 69 LEU HB3 H 2.019 0.020 2 818 553 69 LEU HG H 0.743 0.020 1 819 553 69 LEU HD1 H 0.081 0.020 2 820 553 69 LEU HD2 H -0.061 0.020 2 821 553 69 LEU C C 178.555 0.400 1 822 553 69 LEU CA C 58.143 0.400 1 823 553 69 LEU CB C 42.550 0.400 1 824 553 69 LEU CG C 25.628 0.400 1 825 553 69 LEU CD1 C 24.043 0.400 1 826 553 69 LEU CD2 C 22.575 0.400 1 827 553 69 LEU N N 120.639 0.400 1 828 554 70 TYR H H 8.159 0.020 1 829 554 70 TYR HA H 3.838 0.020 1 830 554 70 TYR HB2 H 2.757 0.020 2 831 554 70 TYR HB3 H 3.155 0.020 2 832 554 70 TYR HD1 H 6.910 0.020 1 833 554 70 TYR HD2 H 6.910 0.020 1 834 554 70 TYR HE1 H 6.753 0.020 1 835 554 70 TYR HE2 H 6.754 0.020 1 836 554 70 TYR HH H 8.869 0.020 1 837 554 70 TYR C C 176.276 0.400 1 838 554 70 TYR CA C 62.542 0.400 1 839 554 70 TYR CB C 38.427 0.400 1 840 554 70 TYR CD1 C 132.880 0.400 1 841 554 70 TYR CD2 C 132.906 0.400 1 842 554 70 TYR CE1 C 118.179 0.400 1 843 554 70 TYR CE2 C 119.239 0.400 1 844 554 70 TYR N N 117.745 0.400 1 845 555 71 GLU H H 7.963 0.020 1 846 555 71 GLU HA H 3.843 0.020 1 847 555 71 GLU HB2 H 2.145 0.020 2 848 555 71 GLU HB3 H 2.154 0.020 2 849 555 71 GLU HG2 H 2.368 0.020 2 850 555 71 GLU HG3 H 2.461 0.020 2 851 555 71 GLU C C 180.143 0.400 1 852 555 71 GLU CA C 59.863 0.400 1 853 555 71 GLU CB C 29.716 0.400 1 854 555 71 GLU CG C 36.174 0.400 1 855 555 71 GLU N N 116.998 0.400 1 856 556 72 ILE H H 8.049 0.020 1 857 556 72 ILE HA H 3.862 0.020 1 858 556 72 ILE HB H 1.873 0.020 1 859 556 72 ILE HG12 H 1.279 0.020 2 860 556 72 ILE HG13 H 1.707 0.020 2 861 556 72 ILE HG2 H 0.689 0.020 1 862 556 72 ILE HD1 H 0.850 0.020 1 863 556 72 ILE C C 179.115 0.400 1 864 556 72 ILE CA C 65.360 0.400 1 865 556 72 ILE CB C 38.459 0.400 1 866 556 72 ILE CG1 C 28.207 0.400 1 867 556 72 ILE CG2 C 17.321 0.400 1 868 556 72 ILE CD1 C 14.540 0.400 1 869 556 72 ILE N N 117.613 0.400 1 870 557 73 HIS H H 7.986 0.020 1 871 557 73 HIS HA H 4.163 0.020 1 872 557 73 HIS HB2 H 2.900 0.020 2 873 557 73 HIS HB3 H 3.291 0.020 2 874 557 73 HIS HD1 H 7.700 0.020 1 875 557 73 HIS HD2 H 7.424 0.020 1 876 557 73 HIS HE1 H 7.451 0.020 1 877 557 73 HIS C C 176.467 0.400 1 878 557 73 HIS CA C 61.114 0.400 1 879 557 73 HIS CB C 27.970 0.400 1 880 557 73 HIS CD2 C 128.194 0.400 1 881 557 73 HIS CE1 C 138.067 0.400 1 882 557 73 HIS N N 120.759 0.400 1 883 558 74 LYS H H 9.168 0.020 1 884 558 74 LYS HA H 3.936 0.020 1 885 558 74 LYS HB2 H 1.163 0.020 2 886 558 74 LYS HB3 H 1.683 0.020 2 887 558 74 LYS HG2 H 0.529 0.020 2 888 558 74 LYS HG3 H 1.292 0.020 2 889 558 74 LYS HD2 H 1.384 0.020 2 890 558 74 LYS HD3 H 1.705 0.020 2 891 558 74 LYS HE2 H 2.996 0.020 2 892 558 74 LYS HE3 H 2.996 0.020 2 893 558 74 LYS C C 177.803 0.400 1 894 558 74 LYS CA C 58.996 0.400 1 895 558 74 LYS CB C 31.784 0.400 1 896 558 74 LYS CG C 24.529 0.400 1 897 558 74 LYS CD C 28.631 0.400 1 898 558 74 LYS CE C 42.323 0.400 1 899 558 74 LYS N N 124.744 0.400 1 900 559 75 GLU H H 7.701 0.020 1 901 559 75 GLU HA H 4.058 0.020 1 902 559 75 GLU HB2 H 1.689 0.020 2 903 559 75 GLU HB3 H 2.097 0.020 2 904 559 75 GLU HG2 H 2.176 0.020 2 905 559 75 GLU HG3 H 2.366 0.020 2 906 559 75 GLU C C 179.684 0.400 1 907 559 75 GLU CA C 59.499 0.400 1 908 559 75 GLU CB C 29.291 0.400 1 909 559 75 GLU CG C 36.255 0.400 1 910 559 75 GLU N N 117.842 0.400 1 911 560 76 PHE H H 7.431 0.020 1 912 560 76 PHE HA H 4.326 0.020 1 913 560 76 PHE HB2 H 2.718 0.020 2 914 560 76 PHE HB3 H 3.129 0.020 2 915 560 76 PHE HD1 H 7.188 0.020 1 916 560 76 PHE HD2 H 7.188 0.020 1 917 560 76 PHE HE1 H 6.173 0.020 1 918 560 76 PHE HE2 H 7.179 0.020 1 919 560 76 PHE HZ H 6.449 0.020 1 920 560 76 PHE C C 175.576 0.400 1 921 560 76 PHE CA C 60.927 0.400 1 922 560 76 PHE CB C 39.427 0.400 1 923 560 76 PHE CD1 C 132.120 0.400 1 924 560 76 PHE CD2 C 132.188 0.400 1 925 560 76 PHE CE1 C 129.294 0.400 1 926 560 76 PHE CE2 C 129.754 0.400 1 927 560 76 PHE CZ C 129.867 0.400 1 928 560 76 PHE N N 120.919 0.400 1 929 561 77 TYR H H 9.062 0.020 1 930 561 77 TYR HA H 3.472 0.020 1 931 561 77 TYR HB2 H 3.117 0.020 2 932 561 77 TYR HB3 H 3.120 0.020 2 933 561 77 TYR HD1 H 7.088 0.020 1 934 561 77 TYR HD2 H 7.088 0.020 1 935 561 77 TYR HE1 H 6.813 0.020 1 936 561 77 TYR HE2 H 6.813 0.020 1 937 561 77 TYR HH H 8.584 0.020 1 938 561 77 TYR C C 176.667 0.400 1 939 561 77 TYR CA C 63.072 0.400 1 940 561 77 TYR CB C 40.019 0.400 1 941 561 77 TYR CD1 C 133.112 0.400 1 942 561 77 TYR CD2 C 133.140 0.400 1 943 561 77 TYR CE1 C 118.263 0.400 1 944 561 77 TYR CE2 C 118.269 0.400 1 945 561 77 TYR N N 121.292 0.400 1 946 562 78 ASP H H 8.981 0.020 1 947 562 78 ASP HA H 4.343 0.020 1 948 562 78 ASP HB2 H 2.511 0.020 2 949 562 78 ASP HB3 H 2.790 0.020 2 950 562 78 ASP C C 179.254 0.400 1 951 562 78 ASP CA C 56.484 0.400 1 952 562 78 ASP CB C 39.701 0.400 1 953 562 78 ASP N N 116.828 0.400 1 954 563 79 GLY H H 7.846 0.020 1 955 563 79 GLY HA2 H 3.585 0.020 2 956 563 79 GLY HA3 H 4.033 0.020 2 957 563 79 GLY C C 174.885 0.400 1 958 563 79 GLY CA C 46.097 0.400 1 959 563 79 GLY N N 106.299 0.400 1 960 564 80 LEU H H 8.371 0.020 1 961 564 80 LEU HA H 3.870 0.020 1 962 564 80 LEU HB2 H 0.715 0.020 2 963 564 80 LEU HB3 H 1.309 0.020 2 964 564 80 LEU HG H 0.553 0.020 1 965 564 80 LEU HD1 H 0.834 0.020 2 966 564 80 LEU HD2 H 0.548 0.020 2 967 564 80 LEU C C 177.931 0.400 1 968 564 80 LEU CA C 57.054 0.400 1 969 564 80 LEU CB C 41.842 0.400 1 970 564 80 LEU CG C 26.576 0.400 1 971 564 80 LEU CD1 C 23.916 0.400 1 972 564 80 LEU CD2 C 25.622 0.400 1 973 564 80 LEU N N 123.023 0.400 1 974 565 81 PHE H H 8.608 0.020 1 975 565 81 PHE HA H 3.897 0.020 1 976 565 81 PHE HB2 H 2.454 0.020 2 977 565 81 PHE HB3 H 2.974 0.020 2 978 565 81 PHE HD1 H 6.965 0.020 1 979 565 81 PHE HD2 H 6.966 0.020 1 980 565 81 PHE HE1 H 7.103 0.020 1 981 565 81 PHE HE2 H 7.289 0.020 1 982 565 81 PHE HZ H 7.288 0.020 1 983 565 81 PHE C C 174.361 0.400 1 984 565 81 PHE CA C 63.967 0.400 1 985 565 81 PHE CB C 36.113 0.400 1 986 565 81 PHE CD1 C 131.906 0.400 1 987 565 81 PHE CD2 C 132.139 0.400 1 988 565 81 PHE CE1 C 131.662 0.400 1 989 565 81 PHE CE2 C 130.530 0.400 1 990 565 81 PHE CZ C 130.231 0.400 1 991 565 81 PHE N N 118.977 0.400 1 992 566 82 PRO HA H 4.337 0.020 1 993 566 82 PRO HB2 H 1.887 0.020 2 994 566 82 PRO HB3 H 2.380 0.020 2 995 566 82 PRO HG2 H 2.081 0.020 2 996 566 82 PRO HG3 H 2.087 0.020 2 997 566 82 PRO HD2 H 3.716 0.020 2 998 566 82 PRO HD3 H 3.716 0.020 2 999 566 82 PRO C C 179.255 0.400 1 1000 566 82 PRO CA C 65.706 0.400 1 1001 566 82 PRO CB C 31.047 0.400 1 1002 566 82 PRO CG C 28.200 0.400 1 1003 566 82 PRO CD C 50.923 0.400 1 1004 567 83 ARG H H 6.979 0.020 1 1005 567 83 ARG HA H 4.145 0.020 1 1006 567 83 ARG HB2 H 1.800 0.020 2 1007 567 83 ARG HB3 H 2.099 0.020 2 1008 567 83 ARG HG2 H 0.693 0.020 2 1009 567 83 ARG HG3 H 0.835 0.020 2 1010 567 83 ARG HD2 H 2.999 0.020 2 1011 567 83 ARG HD3 H 3.566 0.020 2 1012 567 83 ARG HE H 7.765 0.020 1 1013 567 83 ARG C C 178.151 0.400 1 1014 567 83 ARG CA C 58.755 0.400 1 1015 567 83 ARG CB C 30.136 0.400 1 1016 567 83 ARG CG C 27.033 0.400 1 1017 567 83 ARG CD C 44.022 0.400 1 1018 567 83 ARG N N 115.619 0.400 1 1019 568 84 VAL H H 7.339 0.020 1 1020 568 84 VAL HA H 3.781 0.020 1 1021 568 84 VAL HB H 1.735 0.020 1 1022 568 84 VAL HG1 H 0.564 0.020 2 1023 568 84 VAL HG2 H 0.692 0.020 2 1024 568 84 VAL C C 177.353 0.400 1 1025 568 84 VAL CA C 65.449 0.400 1 1026 568 84 VAL CB C 31.577 0.400 1 1027 568 84 VAL CG1 C 21.572 0.400 1 1028 568 84 VAL CG2 C 24.287 0.400 1 1029 568 84 VAL N N 116.549 0.400 1 1030 569 85 GLN H H 7.446 0.020 1 1031 569 85 GLN HA H 3.962 0.020 1 1032 569 85 GLN HB2 H 1.884 0.020 2 1033 569 85 GLN HB3 H 2.082 0.020 2 1034 569 85 GLN HG2 H 2.064 0.020 2 1035 569 85 GLN HG3 H 2.118 0.020 2 1036 569 85 GLN HE21 H 6.735 0.020 2 1037 569 85 GLN HE22 H 6.817 0.020 2 1038 569 85 GLN C C 177.189 0.400 1 1039 569 85 GLN CA C 57.699 0.400 1 1040 569 85 GLN CB C 28.588 0.400 1 1041 569 85 GLN CG C 33.631 0.400 1 1042 569 85 GLN N N 116.895 0.400 1 1043 570 86 GLN H H 7.290 0.020 1 1044 570 86 GLN HA H 4.667 0.020 1 1045 570 86 GLN HB2 H 2.197 0.020 2 1046 570 86 GLN HB3 H 1.824 0.020 2 1047 570 86 GLN HG2 H 2.071 0.020 2 1048 570 86 GLN HG3 H 2.375 0.020 2 1049 570 86 GLN HE21 H 6.815 0.020 2 1050 570 86 GLN HE22 H 7.443 0.020 2 1051 570 86 GLN C C 175.438 0.400 1 1052 570 86 GLN CA C 53.515 0.400 1 1053 570 86 GLN CB C 27.809 0.400 1 1054 570 86 GLN CG C 33.827 0.400 1 1055 570 86 GLN N N 119.143 0.400 1 1056 571 87 TRP H H 7.443 0.020 1 1057 571 87 TRP HA H 4.563 0.020 1 1058 571 87 TRP HB2 H 3.083 0.020 2 1059 571 87 TRP HB3 H 3.664 0.020 2 1060 571 87 TRP HD1 H 7.171 0.020 1 1061 571 87 TRP HE1 H 9.631 0.020 1 1062 571 87 TRP HE3 H 7.780 0.020 1 1063 571 87 TRP HZ2 H 7.379 0.020 1 1064 571 87 TRP HZ3 H 6.574 0.020 1 1065 571 87 TRP HH2 H 6.985 0.020 1 1066 571 87 TRP C C 175.851 0.400 1 1067 571 87 TRP CA C 58.928 0.400 1 1068 571 87 TRP CB C 30.466 0.400 1 1069 571 87 TRP CD1 C 126.600 0.400 1 1070 571 87 TRP CE3 C 120.398 0.400 1 1071 571 87 TRP CZ2 C 114.322 0.400 1 1072 571 87 TRP CZ3 C 121.007 0.400 1 1073 571 87 TRP CH2 C 124.826 0.400 1 1074 571 87 TRP N N 122.401 0.400 1 1075 571 87 TRP NE1 N 129.126 0.400 1 1076 572 88 SER H H 7.736 0.020 1 1077 572 88 SER HA H 4.447 0.020 1 1078 572 88 SER HB2 H 3.108 0.020 2 1079 572 88 SER HB3 H 3.891 0.020 2 1080 572 88 SER HG H 3.978 0.020 1 1081 572 88 SER C C 173.514 0.400 1 1082 572 88 SER CA C 58.345 0.400 1 1083 572 88 SER CB C 63.970 0.400 1 1084 572 88 SER N N 119.277 0.400 1 1085 573 89 HIS H H 8.001 0.020 1 1086 573 89 HIS HA H 4.281 0.020 1 1087 573 89 HIS HB2 H 2.104 0.020 2 1088 573 89 HIS HB3 H 3.551 0.020 2 1089 573 89 HIS HD1 H 8.006 0.020 1 1090 573 89 HIS HD2 H 6.906 0.020 1 1091 573 89 HIS HE1 H 7.700 0.020 1 1092 573 89 HIS C C 178.442 0.400 1 1093 573 89 HIS CA C 57.252 0.400 1 1094 573 89 HIS CB C 33.903 0.400 1 1095 573 89 HIS CD2 C 119.164 0.400 1 1096 573 89 HIS CE1 C 138.538 0.400 1 1097 573 89 HIS N N 127.260 0.400 1 1098 574 90 GLN H H 7.753 0.020 1 1099 574 90 GLN HA H 4.173 0.020 1 1100 574 90 GLN HB2 H 2.025 0.020 2 1101 574 90 GLN HB3 H 2.597 0.020 2 1102 574 90 GLN HG2 H 2.040 0.020 2 1103 574 90 GLN HG3 H 2.591 0.020 2 1104 574 90 GLN HE21 H 7.680 0.020 2 1105 574 90 GLN HE22 H 8.127 0.020 2 1106 574 90 GLN C C 176.084 0.400 1 1107 574 90 GLN CA C 55.986 0.400 1 1108 574 90 GLN CB C 29.157 0.400 1 1109 574 90 GLN CG C 34.062 0.400 1 1110 574 90 GLN N N 115.359 0.400 1 1111 575 91 GLN H H 6.978 0.020 1 1112 575 91 GLN HA H 4.184 0.020 1 1113 575 91 GLN HB2 H 1.761 0.020 2 1114 575 91 GLN HB3 H 2.073 0.020 2 1115 575 91 GLN HG2 H 2.116 0.020 2 1116 575 91 GLN HG3 H 2.206 0.020 2 1117 575 91 GLN HE21 H 6.845 0.020 2 1118 575 91 GLN HE22 H 8.395 0.020 2 1119 575 91 GLN C C 174.969 0.400 1 1120 575 91 GLN CA C 56.011 0.400 1 1121 575 91 GLN CB C 29.542 0.400 1 1122 575 91 GLN CG C 33.649 0.400 1 1123 575 91 GLN N N 120.422 0.400 1 1124 576 92 ARG H H 8.539 0.020 1 1125 576 92 ARG HA H 5.181 0.020 1 1126 576 92 ARG HB2 H 1.350 0.020 2 1127 576 92 ARG HB3 H 2.622 0.020 2 1128 576 92 ARG HG2 H 0.803 0.020 2 1129 576 92 ARG HG3 H 0.803 0.020 2 1130 576 92 ARG HD2 H 2.624 0.020 2 1131 576 92 ARG HD3 H 2.986 0.020 2 1132 576 92 ARG C C 176.947 0.400 1 1133 576 92 ARG CA C 54.695 0.400 1 1134 576 92 ARG CB C 33.474 0.400 1 1135 576 92 ARG CD C 42.154 0.400 1 1136 576 92 ARG N N 125.230 0.400 1 1137 577 93 VAL H H 10.923 0.020 1 1138 577 93 VAL HA H 4.807 0.020 1 1139 577 93 VAL HB H 2.797 0.020 1 1140 577 93 VAL HG1 H 1.017 0.020 2 1141 577 93 VAL HG2 H 1.058 0.020 2 1142 577 93 VAL C C 178.131 0.400 1 1143 577 93 VAL CA C 54.666 0.400 1 1144 577 93 VAL CB C 34.533 0.400 1 1145 577 93 VAL CG1 C 18.386 0.400 1 1146 577 93 VAL CG2 C 22.217 0.400 1 1147 577 93 VAL N N 114.015 0.400 1 1148 578 94 GLY H H 9.920 0.020 1 1149 578 94 GLY HA2 H 3.656 0.020 2 1150 578 94 GLY HA3 H 3.862 0.020 2 1151 578 94 GLY C C 174.142 0.400 1 1152 578 94 GLY CA C 48.426 0.400 1 1153 578 94 GLY N N 112.724 0.400 1 1154 579 95 ASP H H 9.525 0.020 1 1155 579 95 ASP HA H 4.468 0.020 1 1156 579 95 ASP HB2 H 2.606 0.020 2 1157 579 95 ASP HB3 H 2.868 0.020 2 1158 579 95 ASP C C 178.751 0.400 1 1159 579 95 ASP CA C 56.297 0.400 1 1160 579 95 ASP CB C 38.510 0.400 1 1161 579 95 ASP N N 118.393 0.400 1 1162 580 96 LEU H H 7.502 0.020 1 1163 580 96 LEU HA H 4.105 0.020 1 1164 580 96 LEU HB2 H 1.374 0.020 2 1165 580 96 LEU HB3 H 2.011 0.020 2 1166 580 96 LEU HG H 1.650 0.020 1 1167 580 96 LEU HD1 H 0.692 0.020 2 1168 580 96 LEU HD2 H 0.850 0.020 2 1169 580 96 LEU C C 180.053 0.400 1 1170 580 96 LEU CA C 57.466 0.400 1 1171 580 96 LEU CB C 41.736 0.400 1 1172 580 96 LEU CG C 25.919 0.400 1 1173 580 96 LEU CD1 C 23.134 0.400 1 1174 580 96 LEU CD2 C 23.134 0.400 1 1175 580 96 LEU N N 120.744 0.400 1 1176 581 97 PHE H H 7.311 0.020 1 1177 581 97 PHE HA H 4.060 0.020 1 1178 581 97 PHE HB3 H 2.815 0.020 2 1179 581 97 PHE HD1 H 7.481 0.020 1 1180 581 97 PHE HD2 H 7.482 0.020 1 1181 581 97 PHE HE1 H 7.027 0.020 1 1182 581 97 PHE HE2 H 7.177 0.020 1 1183 581 97 PHE HZ H 7.166 0.020 1 1184 581 97 PHE C C 178.374 0.400 1 1185 581 97 PHE CA C 62.198 0.400 1 1186 581 97 PHE CB C 39.276 0.400 1 1187 581 97 PHE CD1 C 132.240 0.400 1 1188 581 97 PHE CD2 C 132.263 0.400 1 1189 581 97 PHE CE1 C 130.869 0.400 1 1190 581 97 PHE CE2 C 130.974 0.400 1 1191 581 97 PHE CZ C 129.533 0.400 1 1192 581 97 PHE N N 117.081 0.400 1 1193 582 98 GLN H H 8.650 0.020 1 1194 582 98 GLN HA H 4.003 0.020 1 1195 582 98 GLN HB2 H 2.216 0.020 2 1196 582 98 GLN HB3 H 2.505 0.020 2 1197 582 98 GLN HG2 H 2.222 0.020 2 1198 582 98 GLN HG3 H 2.507 0.020 2 1199 582 98 GLN HE21 H 6.909 0.020 2 1200 582 98 GLN HE22 H 7.828 0.020 2 1201 582 98 GLN C C 178.193 0.400 1 1202 582 98 GLN CA C 60.082 0.400 1 1203 582 98 GLN CB C 29.335 0.400 1 1204 582 98 GLN CG C 34.663 0.400 1 1205 582 98 GLN N N 121.696 0.400 1 1206 583 99 LYS H H 8.023 0.020 1 1207 583 99 LYS HA H 4.088 0.020 1 1208 583 99 LYS HB2 H 1.678 0.020 2 1209 583 99 LYS HB3 H 1.989 0.020 2 1210 583 99 LYS HG2 H 1.303 0.020 2 1211 583 99 LYS HG3 H 1.479 0.020 2 1212 583 99 LYS HD2 H 1.305 0.020 2 1213 583 99 LYS HD3 H 1.636 0.020 2 1214 583 99 LYS HE2 H 2.641 0.020 2 1215 583 99 LYS HE3 H 2.989 0.020 2 1216 583 99 LYS C C 179.901 0.400 1 1217 583 99 LYS CA C 59.024 0.400 1 1218 583 99 LYS CB C 31.674 0.400 1 1219 583 99 LYS CG C 24.540 0.400 1 1220 583 99 LYS CD C 28.748 0.400 1 1221 583 99 LYS CE C 42.040 0.400 1 1222 583 99 LYS N N 120.401 0.400 1 1223 584 100 LEU H H 7.464 0.020 1 1224 584 100 LEU HA H 4.050 0.020 1 1225 584 100 LEU HB2 H 1.188 0.020 2 1226 584 100 LEU HB3 H 1.418 0.020 2 1227 584 100 LEU HG H 1.090 0.020 1 1228 584 100 LEU HD1 H -0.015 0.020 2 1229 584 100 LEU HD2 H -0.093 0.020 2 1230 584 100 LEU C C 179.423 0.400 1 1231 584 100 LEU CA C 58.411 0.400 1 1232 584 100 LEU CB C 42.002 0.400 1 1233 584 100 LEU CG C 26.300 0.400 1 1234 584 100 LEU CD1 C 22.870 0.400 1 1235 584 100 LEU CD2 C 23.820 0.400 1 1236 584 100 LEU N N 120.839 0.400 1 1237 585 101 ALA H H 7.943 0.020 1 1238 585 101 ALA HA H 4.013 0.020 1 1239 585 101 ALA HB H 1.470 0.020 1 1240 585 101 ALA C C 179.674 0.400 1 1241 585 101 ALA CA C 54.599 0.400 1 1242 585 101 ALA CB C 17.700 0.400 1 1243 585 101 ALA N N 120.007 0.400 1 1244 586 102 SER H H 8.053 0.020 1 1245 586 102 SER HA H 4.379 0.020 1 1246 586 102 SER HB2 H 4.096 0.020 2 1247 586 102 SER HB3 H 4.122 0.020 2 1248 586 102 SER HG H 4.711 0.020 1 1249 586 102 SER C C 175.087 0.400 1 1250 586 102 SER CA C 60.806 0.400 1 1251 586 102 SER CB C 63.259 0.400 1 1252 586 102 SER N N 113.302 0.400 1 1253 587 103 GLN H H 7.604 0.020 1 1254 587 103 GLN HA H 4.705 0.020 1 1255 587 103 GLN HB2 H 1.827 0.020 2 1256 587 103 GLN HB3 H 2.572 0.020 2 1257 587 103 GLN HG2 H 2.291 0.020 2 1258 587 103 GLN HG3 H 2.380 0.020 2 1259 587 103 GLN HE21 H 6.818 0.020 2 1260 587 103 GLN HE22 H 7.484 0.020 2 1261 587 103 GLN C C 176.640 0.400 1 1262 587 103 GLN CA C 55.634 0.400 1 1263 587 103 GLN CB C 29.326 0.400 1 1264 587 103 GLN CG C 33.784 0.400 1 1265 587 103 GLN N N 120.483 0.400 1 1266 588 104 LEU H H 7.226 0.020 1 1267 588 104 LEU HA H 3.977 0.020 1 1268 588 104 LEU HB2 H 0.733 0.020 2 1269 588 104 LEU HB3 H 1.523 0.020 2 1270 588 104 LEU HG H 0.772 0.020 1 1271 588 104 LEU HD1 H 0.766 0.020 2 1272 588 104 LEU HD2 H 0.766 0.020 2 1273 588 104 LEU C C 177.821 0.400 1 1274 588 104 LEU CA C 58.164 0.400 1 1275 588 104 LEU CB C 40.778 0.400 1 1276 588 104 LEU CG C 23.601 0.400 1 1277 588 104 LEU CD1 C 22.492 0.400 1 1278 588 104 LEU CD2 C 26.165 0.400 1 1279 588 104 LEU N N 118.798 0.400 1 1280 589 105 GLY H H 8.792 0.020 1 1281 589 105 GLY HA2 H 3.814 0.020 2 1282 589 105 GLY HA3 H 3.956 0.020 2 1283 589 105 GLY C C 177.353 0.400 1 1284 589 105 GLY CA C 47.309 0.400 1 1285 589 105 GLY N N 108.722 0.400 1 1286 590 106 VAL H H 7.871 0.020 1 1287 590 106 VAL HA H 3.807 0.020 1 1288 590 106 VAL HB H 1.999 0.020 1 1289 590 106 VAL HG1 H 1.052 0.020 2 1290 590 106 VAL HG2 H 0.741 0.020 2 1291 590 106 VAL C C 178.137 0.400 1 1292 590 106 VAL CA C 66.369 0.400 1 1293 590 106 VAL CB C 31.920 0.400 1 1294 590 106 VAL CG1 C 22.406 0.400 1 1295 590 106 VAL CG2 C 22.406 0.400 1 1296 590 106 VAL N N 122.749 0.400 1 1297 591 107 TYR H H 7.208 0.020 1 1298 591 107 TYR HA H 4.119 0.020 1 1299 591 107 TYR HB2 H 2.856 0.020 2 1300 591 107 TYR HB3 H 3.872 0.020 2 1301 591 107 TYR HD1 H 6.796 0.020 1 1302 591 107 TYR HD2 H 6.796 0.020 1 1303 591 107 TYR HE1 H 6.897 0.020 1 1304 591 107 TYR HE2 H 6.898 0.020 1 1305 591 107 TYR HH H 7.620 0.020 1 1306 591 107 TYR C C 178.655 0.400 1 1307 591 107 TYR CA C 63.862 0.400 1 1308 591 107 TYR CB C 39.616 0.400 1 1309 591 107 TYR CD1 C 131.864 0.400 1 1310 591 107 TYR CD2 C 131.923 0.400 1 1311 591 107 TYR CE1 C 119.020 0.400 1 1312 591 107 TYR CE2 C 119.039 0.400 1 1313 591 107 TYR N N 117.199 0.400 1 1314 592 108 ARG H H 8.467 0.020 1 1315 592 108 ARG HA H 4.192 0.020 1 1316 592 108 ARG HB2 H 2.157 0.020 2 1317 592 108 ARG HB3 H 2.351 0.020 2 1318 592 108 ARG HG2 H 1.761 0.020 2 1319 592 108 ARG HG3 H 1.931 0.020 2 1320 592 108 ARG HD2 H 3.369 0.020 2 1321 592 108 ARG HD3 H 3.276 0.020 2 1322 592 108 ARG HE H 7.175 0.020 1 1323 592 108 ARG C C 177.143 0.400 1 1324 592 108 ARG CA C 59.536 0.400 1 1325 592 108 ARG CB C 30.051 0.400 1 1326 592 108 ARG CG C 26.639 0.400 1 1327 592 108 ARG CD C 43.178 0.400 1 1328 592 108 ARG N N 121.130 0.400 1 1329 593 109 ALA H H 7.506 0.020 1 1330 593 109 ALA HA H 4.435 0.020 1 1331 593 109 ALA HB H 1.665 0.020 1 1332 593 109 ALA C C 180.235 0.400 1 1333 593 109 ALA CA C 54.863 0.400 1 1334 593 109 ALA CB C 18.307 0.400 1 1335 593 109 ALA N N 119.422 0.400 1 1336 594 110 PHE H H 8.281 0.020 1 1337 594 110 PHE HA H 4.123 0.020 1 1338 594 110 PHE HB2 H 2.962 0.020 2 1339 594 110 PHE HB3 H 3.295 0.020 2 1340 594 110 PHE HD1 H 7.247 0.020 1 1341 594 110 PHE HD2 H 7.359 0.020 1 1342 594 110 PHE HE1 H 6.967 0.020 1 1343 594 110 PHE HE2 H 7.553 0.020 1 1344 594 110 PHE HZ H 8.166 0.020 1 1345 594 110 PHE C C 178.211 0.400 1 1346 594 110 PHE CA C 63.035 0.400 1 1347 594 110 PHE CB C 40.067 0.400 1 1348 594 110 PHE CD1 C 131.238 0.400 1 1349 594 110 PHE CD2 C 131.333 0.400 1 1350 594 110 PHE CE1 C 132.210 0.400 1 1351 594 110 PHE CE2 C 132.616 0.400 1 1352 594 110 PHE CZ C 131.514 0.400 1 1353 594 110 PHE N N 118.719 0.400 1 1354 595 111 VAL H H 9.394 0.020 1 1355 595 111 VAL HA H 3.726 0.020 1 1356 595 111 VAL HB H 2.470 0.020 1 1357 595 111 VAL HG1 H 1.165 0.020 2 1358 595 111 VAL HG2 H 1.393 0.020 2 1359 595 111 VAL C C 178.306 0.400 1 1360 595 111 VAL CA C 67.053 0.400 1 1361 595 111 VAL CB C 31.672 0.400 1 1362 595 111 VAL CG1 C 22.012 0.400 1 1363 595 111 VAL CG2 C 23.082 0.400 1 1364 595 111 VAL N N 119.114 0.400 1 1365 596 112 ASP H H 8.445 0.020 1 1366 596 112 ASP HA H 4.611 0.020 1 1367 596 112 ASP HB2 H 2.764 0.020 2 1368 596 112 ASP HB3 H 2.967 0.020 2 1369 596 112 ASP C C 177.373 0.400 1 1370 596 112 ASP CA C 57.227 0.400 1 1371 596 112 ASP CB C 40.425 0.400 1 1372 596 112 ASP N N 120.355 0.400 1 1373 597 113 ASN H H 7.427 0.020 1 1374 597 113 ASN HA H 4.629 0.020 1 1375 597 113 ASN HB2 H 2.296 0.020 2 1376 597 113 ASN HB3 H 3.022 0.020 2 1377 597 113 ASN HD21 H 6.939 0.020 2 1378 597 113 ASN HD22 H 7.621 0.020 2 1379 597 113 ASN C C 174.316 0.400 1 1380 597 113 ASN CA C 53.657 0.400 1 1381 597 113 ASN CB C 41.598 0.400 1 1382 597 113 ASN N N 116.277 0.400 1 1383 598 114 TYR H H 7.613 0.020 1 1384 598 114 TYR HA H 4.101 0.020 1 1385 598 114 TYR HB2 H 2.982 0.020 2 1386 598 114 TYR HB3 H 2.988 0.020 2 1387 598 114 TYR HD1 H 7.043 0.020 1 1388 598 114 TYR HD2 H 7.043 0.020 1 1389 598 114 TYR HE1 H 6.859 0.020 1 1390 598 114 TYR HE2 H 6.864 0.020 1 1391 598 114 TYR C C 176.041 0.400 1 1392 598 114 TYR CA C 62.145 0.400 1 1393 598 114 TYR CB C 38.919 0.400 1 1394 598 114 TYR CD1 C 133.129 0.400 1 1395 598 114 TYR CD2 C 133.156 0.400 1 1396 598 114 TYR CE1 C 118.123 0.400 1 1397 598 114 TYR CE2 C 118.181 0.400 1 1398 598 114 TYR N N 122.861 0.400 1 1399 599 115 GLY H H 8.788 0.020 1 1400 599 115 GLY HA2 H 3.540 0.020 2 1401 599 115 GLY HA3 H 3.827 0.020 2 1402 599 115 GLY C C 176.870 0.400 1 1403 599 115 GLY CA C 47.081 0.400 1 1404 599 115 GLY N N 105.593 0.400 1 1405 600 116 VAL H H 7.547 0.020 1 1406 600 116 VAL HA H 3.759 0.020 1 1407 600 116 VAL HB H 2.113 0.020 1 1408 600 116 VAL HG1 H 0.851 0.020 2 1409 600 116 VAL HG2 H 0.968 0.020 2 1410 600 116 VAL C C 178.775 0.400 1 1411 600 116 VAL CA C 65.513 0.400 1 1412 600 116 VAL CB C 31.544 0.400 1 1413 600 116 VAL CG1 C 21.581 0.400 1 1414 600 116 VAL CG2 C 22.131 0.400 1 1415 600 116 VAL N N 123.491 0.400 1 1416 601 117 ALA H H 8.513 0.020 1 1417 601 117 ALA HA H 3.659 0.020 1 1418 601 117 ALA HB H 1.483 0.020 1 1419 601 117 ALA C C 179.745 0.400 1 1420 601 117 ALA CA C 56.139 0.400 1 1421 601 117 ALA CB C 18.770 0.400 1 1422 601 117 ALA N N 125.410 0.400 1 1423 602 118 MET H H 8.398 0.020 1 1424 602 118 MET HA H 4.098 0.020 1 1425 602 118 MET HB2 H 1.831 0.020 2 1426 602 118 MET HB3 H 1.834 0.020 2 1427 602 118 MET HG2 H 2.219 0.020 2 1428 602 118 MET HG3 H 2.221 0.020 2 1429 602 118 MET HE H 2.210 0.020 1 1430 602 118 MET C C 179.275 0.400 1 1431 602 118 MET CA C 57.167 0.400 1 1432 602 118 MET CB C 31.358 0.400 1 1433 602 118 MET CG C 32.392 0.400 1 1434 602 118 MET CE C 17.232 0.400 1 1435 602 118 MET N N 115.229 0.400 1 1436 603 119 GLU H H 7.770 0.020 1 1437 603 119 GLU HA H 4.066 0.020 1 1438 603 119 GLU HB2 H 2.104 0.020 2 1439 603 119 GLU HB3 H 2.104 0.020 2 1440 603 119 GLU HG2 H 2.175 0.020 2 1441 603 119 GLU HG3 H 2.369 0.020 2 1442 603 119 GLU C C 178.903 0.400 1 1443 603 119 GLU CA C 59.490 0.400 1 1444 603 119 GLU CB C 29.798 0.400 1 1445 603 119 GLU CG C 36.521 0.400 1 1446 603 119 GLU N N 120.718 0.400 1 1447 604 120 MET H H 8.387 0.020 1 1448 604 120 MET HA H 4.353 0.020 1 1449 604 120 MET HB2 H 2.041 0.020 2 1450 604 120 MET HB3 H 2.529 0.020 2 1451 604 120 MET HG2 H 2.218 0.020 2 1452 604 120 MET HG3 H 2.529 0.020 2 1453 604 120 MET HE H 2.080 0.020 1 1454 604 120 MET C C 178.413 0.400 1 1455 604 120 MET CA C 57.543 0.400 1 1456 604 120 MET CB C 31.546 0.400 1 1457 604 120 MET CG C 32.146 0.400 1 1458 604 120 MET CE C 17.031 0.400 1 1459 604 120 MET N N 119.130 0.400 1 1460 605 121 ALA H H 8.927 0.020 1 1461 605 121 ALA HA H 3.918 0.020 1 1462 605 121 ALA HB H 1.482 0.020 1 1463 605 121 ALA C C 179.438 0.400 1 1464 605 121 ALA CA C 56.149 0.400 1 1465 605 121 ALA CB C 17.787 0.400 1 1466 605 121 ALA N N 122.983 0.400 1 1467 606 122 GLU H H 8.073 0.020 1 1468 606 122 GLU HA H 4.063 0.020 1 1469 606 122 GLU HB2 H 2.211 0.020 2 1470 606 122 GLU HB3 H 2.212 0.020 2 1471 606 122 GLU HG2 H 2.210 0.020 2 1472 606 122 GLU HG3 H 2.372 0.020 2 1473 606 122 GLU C C 179.371 0.400 1 1474 606 122 GLU CA C 59.840 0.400 1 1475 606 122 GLU CB C 29.820 0.400 1 1476 606 122 GLU CG C 36.296 0.400 1 1477 606 122 GLU N N 118.381 0.400 1 1478 607 123 LYS H H 8.204 0.020 1 1479 607 123 LYS HA H 4.072 0.020 1 1480 607 123 LYS HB2 H 1.957 0.020 2 1481 607 123 LYS HB3 H 2.055 0.020 2 1482 607 123 LYS HG2 H 1.543 0.020 2 1483 607 123 LYS HG3 H 1.686 0.020 2 1484 607 123 LYS HD2 H 1.688 0.020 2 1485 607 123 LYS HD3 H 1.689 0.020 2 1486 607 123 LYS HE2 H 2.988 0.020 2 1487 607 123 LYS HE3 H 2.988 0.020 2 1488 607 123 LYS C C 180.603 0.400 1 1489 607 123 LYS CA C 59.587 0.400 1 1490 607 123 LYS CB C 32.446 0.400 1 1491 607 123 LYS CG C 25.504 0.400 1 1492 607 123 LYS CD C 29.116 0.400 1 1493 607 123 LYS CE C 42.242 0.400 1 1494 607 123 LYS N N 119.325 0.400 1 1495 608 124 CYS H H 8.803 0.020 1 1496 608 124 CYS HA H 4.270 0.020 1 1497 608 124 CYS HB2 H 2.421 0.020 2 1498 608 124 CYS HB3 H 2.831 0.020 2 1499 608 124 CYS HG H 1.504 0.020 1 1500 608 124 CYS C C 176.849 0.400 1 1501 608 124 CYS CA C 64.142 0.400 1 1502 608 124 CYS CB C 27.951 0.400 1 1503 608 124 CYS N N 117.690 0.400 1 1504 609 125 CYS H H 8.443 0.020 1 1505 609 125 CYS HA H 4.293 0.020 1 1506 609 125 CYS HB2 H 3.234 0.020 2 1507 609 125 CYS HB3 H 2.915 0.020 2 1508 609 125 CYS HG H 1.683 0.020 1 1509 609 125 CYS C C 175.856 0.400 1 1510 609 125 CYS CA C 64.200 0.400 1 1511 609 125 CYS CB C 27.007 0.400 1 1512 609 125 CYS N N 118.203 0.400 1 1513 610 126 GLN H H 7.695 0.020 1 1514 610 126 GLN HA H 4.099 0.020 1 1515 610 126 GLN HB2 H 2.155 0.020 2 1516 610 126 GLN HB3 H 2.155 0.020 2 1517 610 126 GLN HG2 H 2.596 0.020 2 1518 610 126 GLN HG3 H 2.450 0.020 2 1519 610 126 GLN HE21 H 7.697 0.020 2 1520 610 126 GLN HE22 H 7.925 0.020 2 1521 610 126 GLN C C 177.391 0.400 1 1522 610 126 GLN CA C 57.916 0.400 1 1523 610 126 GLN CB C 28.602 0.400 1 1524 610 126 GLN CG C 33.957 0.400 1 1525 610 126 GLN N N 116.552 0.400 1 1526 611 127 ALA H H 7.697 0.020 1 1527 611 127 ALA HA H 4.409 0.020 1 1528 611 127 ALA HB H 1.500 0.020 1 1529 611 127 ALA C C 177.652 0.400 1 1530 611 127 ALA CA C 53.066 0.400 1 1531 611 127 ALA CB C 20.188 0.400 1 1532 611 127 ALA N N 118.477 0.400 1 1533 612 128 ASN H H 7.929 0.020 1 1534 612 128 ASN HA H 4.979 0.020 1 1535 612 128 ASN HB2 H 2.659 0.020 2 1536 612 128 ASN HB3 H 3.220 0.020 2 1537 612 128 ASN HD21 H 7.928 0.020 2 1538 612 128 ASN HD22 H 8.279 0.020 2 1539 612 128 ASN C C 173.970 0.400 1 1540 612 128 ASN CA C 53.094 0.400 1 1541 612 128 ASN CB C 40.310 0.400 1 1542 612 128 ASN N N 117.733 0.400 1 1543 613 129 ALA H H 8.852 0.020 1 1544 613 129 ALA HA H 4.269 0.020 1 1545 613 129 ALA HB H 1.512 0.020 1 1546 613 129 ALA C C 180.416 0.400 1 1547 613 129 ALA CA C 55.064 0.400 1 1548 613 129 ALA CB C 18.447 0.400 1 1549 613 129 ALA N N 129.083 0.400 1 1550 614 130 GLN H H 8.279 0.020 1 1551 614 130 GLN HA H 4.273 0.020 1 1552 614 130 GLN HB2 H 2.161 0.020 2 1553 614 130 GLN HB3 H 2.405 0.020 2 1554 614 130 GLN HG2 H 2.409 0.020 2 1555 614 130 GLN HG3 H 2.522 0.020 2 1556 614 130 GLN HE21 H 6.865 0.020 2 1557 614 130 GLN HE22 H 7.564 0.020 2 1558 614 130 GLN C C 179.113 0.400 1 1559 614 130 GLN CA C 59.270 0.400 1 1560 614 130 GLN CB C 28.484 0.400 1 1561 614 130 GLN CG C 34.903 0.400 1 1562 614 130 GLN N N 118.081 0.400 1 1563 615 131 PHE H H 8.639 0.020 1 1564 615 131 PHE HA H 4.339 0.020 1 1565 615 131 PHE HB2 H 3.063 0.020 2 1566 615 131 PHE HB3 H 2.932 0.020 2 1567 615 131 PHE HD1 H 7.060 0.020 1 1568 615 131 PHE HD2 H 7.061 0.020 1 1569 615 131 PHE HE1 H 7.058 0.020 1 1570 615 131 PHE HE2 H 7.283 0.020 1 1571 615 131 PHE HZ H 7.107 0.020 1 1572 615 131 PHE C C 177.311 0.400 1 1573 615 131 PHE CA C 61.023 0.400 1 1574 615 131 PHE CB C 38.832 0.400 1 1575 615 131 PHE CD1 C 131.983 0.400 1 1576 615 131 PHE CD2 C 131.973 0.400 1 1577 615 131 PHE CE1 C 130.928 0.400 1 1578 615 131 PHE CE2 C 131.916 0.400 1 1579 615 131 PHE CZ C 129.535 0.400 1 1580 615 131 PHE N N 121.101 0.400 1 1581 616 132 ALA H H 8.632 0.020 1 1582 616 132 ALA HA H 4.113 0.020 1 1583 616 132 ALA HB H 1.683 0.020 1 1584 616 132 ALA C C 179.899 0.400 1 1585 616 132 ALA CA C 55.666 0.400 1 1586 616 132 ALA CB C 17.640 0.400 1 1587 616 132 ALA N N 123.083 0.400 1 1588 617 133 GLU H H 7.705 0.020 1 1589 617 133 GLU HA H 4.048 0.020 1 1590 617 133 GLU HB2 H 1.870 0.020 2 1591 617 133 GLU HB3 H 2.363 0.020 2 1592 617 133 GLU HG2 H 2.047 0.020 2 1593 617 133 GLU HG3 H 2.367 0.020 2 1594 617 133 GLU C C 179.245 0.400 1 1595 617 133 GLU CA C 59.468 0.400 1 1596 617 133 GLU CB C 29.770 0.400 1 1597 617 133 GLU CG C 37.398 0.400 1 1598 617 133 GLU N N 117.591 0.400 1 1599 618 134 ILE H H 7.701 0.020 1 1600 618 134 ILE HA H 3.756 0.020 1 1601 618 134 ILE HB H 1.864 0.020 1 1602 618 134 ILE HG12 H 1.206 0.020 2 1603 618 134 ILE HG13 H 1.878 0.020 2 1604 618 134 ILE HG2 H 0.877 0.020 1 1605 618 134 ILE HD1 H 1.002 0.020 1 1606 618 134 ILE C C 178.324 0.400 1 1607 618 134 ILE CA C 64.850 0.400 1 1608 618 134 ILE CB C 38.774 0.400 1 1609 618 134 ILE CG1 C 29.464 0.400 1 1610 618 134 ILE CG2 C 16.474 0.400 1 1611 618 134 ILE CD1 C 14.359 0.400 1 1612 618 134 ILE N N 120.437 0.400 1 1613 619 135 SER H H 8.026 0.020 1 1614 619 135 SER HA H 3.827 0.020 1 1615 619 135 SER HB2 H 3.479 0.020 2 1616 619 135 SER HB3 H 3.643 0.020 2 1617 619 135 SER HG H 4.109 0.020 1 1618 619 135 SER C C 175.178 0.400 1 1619 619 135 SER CA C 61.573 0.400 1 1620 619 135 SER CB C 62.987 0.400 1 1621 619 135 SER N N 112.934 0.400 1 1622 620 136 GLU H H 7.574 0.020 1 1623 620 136 GLU HA H 4.247 0.020 1 1624 620 136 GLU HB2 H 2.026 0.020 2 1625 620 136 GLU HB3 H 2.341 0.020 2 1626 620 136 GLU HG2 H 2.027 0.020 2 1627 620 136 GLU HG3 H 2.347 0.020 2 1628 620 136 GLU C C 177.078 0.400 1 1629 620 136 GLU CA C 57.532 0.400 1 1630 620 136 GLU CB C 30.244 0.400 1 1631 620 136 GLU CG C 36.140 0.400 1 1632 620 136 GLU N N 119.311 0.400 1 1633 621 137 ASN H H 7.661 0.020 1 1634 621 137 ASN HA H 4.784 0.020 1 1635 621 137 ASN HB2 H 2.696 0.020 2 1636 621 137 ASN HB3 H 2.900 0.020 2 1637 621 137 ASN HD21 H 7.035 0.020 2 1638 621 137 ASN HD22 H 7.837 0.020 2 1639 621 137 ASN C C 175.175 0.400 1 1640 621 137 ASN CA C 53.578 0.400 1 1641 621 137 ASN CB C 39.631 0.400 1 1642 621 137 ASN N N 117.004 0.400 1 1643 622 138 LEU H H 7.995 0.020 1 1644 622 138 LEU HA H 4.401 0.020 1 1645 622 138 LEU HB2 H 1.377 0.020 2 1646 622 138 LEU HB3 H 1.821 0.020 2 1647 622 138 LEU HG H 1.682 0.020 1 1648 622 138 LEU HD1 H 0.972 0.020 2 1649 622 138 LEU HD2 H 0.907 0.020 2 1650 622 138 LEU C C 177.176 0.400 1 1651 622 138 LEU CA C 56.159 0.400 1 1652 622 138 LEU CB C 41.454 0.400 1 1653 622 138 LEU CG C 26.606 0.400 1 1654 622 138 LEU CD1 C 24.770 0.400 1 1655 622 138 LEU CD2 C 24.063 0.400 1 1656 622 138 LEU N N 121.959 0.400 1 1657 623 139 ARG H H 7.991 0.020 1 1658 623 139 ARG HA H 4.467 0.020 1 1659 623 139 ARG HB2 H 1.783 0.020 2 1660 623 139 ARG HB3 H 1.874 0.020 2 1661 623 139 ARG HG2 H 1.634 0.020 2 1662 623 139 ARG HG3 H 1.638 0.020 2 1663 623 139 ARG HD2 H 3.184 0.020 2 1664 623 139 ARG HD3 H 3.184 0.020 2 1665 623 139 ARG C C 175.948 0.400 1 1666 623 139 ARG CA C 56.117 0.400 1 1667 623 139 ARG CB C 32.025 0.400 1 1668 623 139 ARG CG C 27.293 0.400 1 1669 623 139 ARG CD C 43.561 0.400 1 1670 623 139 ARG N N 120.557 0.400 1 1671 624 140 ALA H H 8.349 0.020 1 1672 624 140 ALA HA H 4.338 0.020 1 1673 624 140 ALA HB H 1.420 0.020 1 1674 624 140 ALA C C 177.652 0.400 1 1675 624 140 ALA CA C 52.212 0.400 1 1676 624 140 ALA CB C 19.624 0.400 1 1677 624 140 ALA N N 124.136 0.400 1 1678 625 141 ARG H H 8.437 0.020 1 1679 625 141 ARG HA H 4.272 0.020 1 1680 625 141 ARG HB2 H 1.801 0.020 2 1681 625 141 ARG HB3 H 1.878 0.020 2 1682 625 141 ARG HG2 H 1.649 0.020 2 1683 625 141 ARG HG3 H 1.647 0.020 2 1684 625 141 ARG HD2 H 2.991 0.020 2 1685 625 141 ARG HD3 H 3.187 0.020 2 1686 625 141 ARG C C 176.823 0.400 1 1687 625 141 ARG CA C 57.117 0.400 1 1688 625 141 ARG CB C 30.673 0.400 1 1689 625 141 ARG CG C 27.373 0.400 1 1690 625 141 ARG CD C 43.450 0.400 1 1691 625 141 ARG N N 119.679 0.400 1 1692 626 142 SER H H 8.275 0.020 1 1693 626 142 SER HA H 4.445 0.020 1 1694 626 142 SER HB2 H 3.873 0.020 2 1695 626 142 SER HB3 H 4.429 0.020 2 1696 626 142 SER HG H 4.733 0.020 1 1697 626 142 SER C C 174.370 0.400 1 1698 626 142 SER CA C 58.457 0.400 1 1699 626 142 SER CB C 63.988 0.400 1 1700 626 142 SER N N 115.666 0.400 1 1701 627 143 ASN H H 8.360 0.020 1 1702 627 143 ASN HA H 4.745 0.020 1 1703 627 143 ASN HB2 H 2.812 0.020 2 1704 627 143 ASN HB3 H 2.864 0.020 2 1705 627 143 ASN HD21 H 6.934 0.020 2 1706 627 143 ASN HD22 H 7.628 0.020 2 1707 627 143 ASN C C 175.593 0.400 1 1708 627 143 ASN CA C 53.351 0.400 1 1709 627 143 ASN CB C 38.929 0.400 1 1710 627 143 ASN N N 120.499 0.400 1 1711 628 144 LYS H H 8.260 0.020 1 1712 628 144 LYS HA H 4.216 0.020 1 1713 628 144 LYS HB2 H 1.784 0.020 2 1714 628 144 LYS HB3 H 1.833 0.020 2 1715 628 144 LYS HG2 H 1.414 0.020 2 1716 628 144 LYS HG3 H 1.422 0.020 2 1717 628 144 LYS HD2 H 1.676 0.020 2 1718 628 144 LYS HD3 H 1.785 0.020 2 1719 628 144 LYS HE3 H 2.993 0.020 2 1720 628 144 LYS C C 176.406 0.400 1 1721 628 144 LYS CA C 57.316 0.400 1 1722 628 144 LYS CB C 32.671 0.400 1 1723 628 144 LYS CG C 24.522 0.400 1 1724 628 144 LYS CD C 29.057 0.400 1 1725 628 144 LYS CE C 42.197 0.400 1 1726 628 144 LYS N N 121.029 0.400 1 1727 629 145 ASP H H 8.207 0.020 1 1728 629 145 ASP HA H 4.603 0.020 1 1729 629 145 ASP HB2 H 2.616 0.020 2 1730 629 145 ASP HB3 H 2.758 0.020 2 1731 629 145 ASP C C 176.002 0.400 1 1732 629 145 ASP CA C 54.401 0.400 1 1733 629 145 ASP CB C 41.448 0.400 1 1734 629 145 ASP N N 119.743 0.400 1 1735 630 146 ALA H H 8.002 0.020 1 1736 630 146 ALA HA H 4.255 0.020 1 1737 630 146 ALA HB H 1.417 0.020 1 1738 630 146 ALA C C 177.718 0.400 1 1739 630 146 ALA CA C 52.855 0.400 1 1740 630 146 ALA CB C 19.319 0.400 1 1741 630 146 ALA N N 124.216 0.400 1 1742 631 147 LYS H H 8.303 0.020 1 1743 631 147 LYS HA H 4.244 0.020 1 1744 631 147 LYS HB2 H 1.781 0.020 2 1745 631 147 LYS HB3 H 1.815 0.020 2 1746 631 147 LYS HG2 H 1.411 0.020 2 1747 631 147 LYS HG3 H 1.676 0.020 2 1748 631 147 LYS HD2 H 1.679 0.020 2 1749 631 147 LYS HD3 H 1.680 0.020 2 1750 631 147 LYS HE2 H 2.514 0.020 2 1751 631 147 LYS HE3 H 2.992 0.020 2 1752 631 147 LYS C C 176.343 0.400 1 1753 631 147 LYS CA C 56.564 0.400 1 1754 631 147 LYS CB C 32.679 0.400 1 1755 631 147 LYS CG C 24.762 0.400 1 1756 631 147 LYS CD C 28.953 0.400 1 1757 631 147 LYS CE C 42.178 0.400 1 1758 631 147 LYS N N 119.270 0.400 1 1759 632 148 ASP H H 8.004 0.020 1 1760 632 148 ASP HA H 4.937 0.020 1 1761 632 148 ASP HB2 H 2.568 0.020 2 1762 632 148 ASP HB3 H 2.813 0.020 2 1763 632 148 ASP C C 174.878 0.400 1 1764 632 148 ASP CA C 52.029 0.400 1 1765 632 148 ASP CB C 41.468 0.400 1 1766 632 148 ASP N N 120.958 0.400 1 1767 633 149 PRO HA H 4.503 0.020 1 1768 633 149 PRO HB2 H 2.033 0.020 2 1769 633 149 PRO HB3 H 2.310 0.020 2 1770 633 149 PRO HG2 H 2.037 0.020 2 1771 633 149 PRO HG3 H 2.040 0.020 2 1772 633 149 PRO HD2 H 3.857 0.020 2 1773 633 149 PRO HD3 H 3.858 0.020 2 1774 633 149 PRO C C 177.502 0.400 1 1775 633 149 PRO CA C 63.802 0.400 1 1776 633 149 PRO CB C 32.263 0.400 1 1777 633 149 PRO CG C 27.155 0.400 1 1778 633 149 PRO CD C 50.876 0.400 1 1779 634 150 THR H H 8.339 0.020 1 1780 634 150 THR HA H 4.399 0.020 1 1781 634 150 THR HB H 4.289 0.020 1 1782 634 150 THR HG1 H 4.732 0.020 1 1783 634 150 THR HG2 H 1.234 0.020 1 1784 634 150 THR C C 175.121 0.400 1 1785 634 150 THR CA C 62.533 0.400 1 1786 634 150 THR CB C 69.778 0.400 1 1787 634 150 THR CG2 C 21.805 0.400 1 1788 634 150 THR N N 112.255 0.400 1 1789 635 151 THR H H 7.891 0.020 1 1790 635 151 THR HA H 4.367 0.020 1 1791 635 151 THR HB H 4.241 0.020 1 1792 635 151 THR HG1 H 4.732 0.020 1 1793 635 151 THR HG2 H 1.212 0.020 1 1794 635 151 THR C C 174.152 0.400 1 1795 635 151 THR CA C 62.024 0.400 1 1796 635 151 THR CB C 69.941 0.400 1 1797 635 151 THR CG2 C 21.835 0.400 1 1798 635 151 THR N N 115.335 0.400 1 1799 636 152 LYS H H 8.199 0.020 1 1800 636 152 LYS HA H 4.446 0.020 1 1801 636 152 LYS HB2 H 1.707 0.020 2 1802 636 152 LYS HB3 H 1.810 0.020 2 1803 636 152 LYS HG2 H 1.386 0.020 2 1804 636 152 LYS HG3 H 1.427 0.020 2 1805 636 152 LYS HD2 H 1.687 0.020 2 1806 636 152 LYS HD3 H 2.207 0.020 2 1807 636 152 LYS HE2 H 2.992 0.020 2 1808 636 152 LYS HE3 H 2.991 0.020 2 1809 636 152 LYS C C 175.688 0.400 1 1810 636 152 LYS CA C 56.218 0.400 1 1811 636 152 LYS CB C 33.645 0.400 1 1812 636 152 LYS CG C 24.689 0.400 1 1813 636 152 LYS CD C 29.300 0.400 1 1814 636 152 LYS CE C 42.195 0.400 1 1815 636 152 LYS N N 123.572 0.400 1 1816 637 153 ASN H H 8.517 0.020 1 1817 637 153 ASN HA H 4.947 0.020 1 1818 637 153 ASN HB2 H 2.618 0.020 2 1819 637 153 ASN HB3 H 2.714 0.020 2 1820 637 153 ASN HD21 H 7.994 0.020 2 1821 637 153 ASN HD22 H 8.238 0.020 2 1822 637 153 ASN C C 173.858 0.400 1 1823 637 153 ASN CA C 52.693 0.400 1 1824 637 153 ASN CB C 41.412 0.400 1 1825 637 153 ASN N N 120.506 0.400 1 1826 638 154 SER H H 8.316 0.020 1 1827 638 154 SER HA H 4.721 0.020 1 1828 638 154 SER HB2 H 3.973 0.020 2 1829 638 154 SER HB3 H 4.244 0.020 2 1830 638 154 SER HG H 4.732 0.020 1 1831 638 154 SER C C 175.188 0.400 1 1832 638 154 SER CA C 57.570 0.400 1 1833 638 154 SER CB C 65.258 0.400 1 1834 638 154 SER N N 115.822 0.400 1 1835 639 155 LEU H H 8.665 0.020 1 1836 639 155 LEU HA H 3.966 0.020 1 1837 639 155 LEU HB2 H 1.575 0.020 2 1838 639 155 LEU HB3 H 1.782 0.020 2 1839 639 155 LEU HG H 1.551 0.020 1 1840 639 155 LEU HD1 H 0.822 0.020 2 1841 639 155 LEU HD2 H 0.823 0.020 2 1842 639 155 LEU C C 177.628 0.400 1 1843 639 155 LEU CA C 59.053 0.400 1 1844 639 155 LEU CB C 42.399 0.400 1 1845 639 155 LEU CG C 27.289 0.400 1 1846 639 155 LEU CD1 C 24.887 0.400 1 1847 639 155 LEU CD2 C 26.177 0.400 1 1848 639 155 LEU N N 123.067 0.400 1 1849 640 156 GLU H H 8.715 0.020 1 1850 640 156 GLU HA H 3.953 0.020 1 1851 640 156 GLU HB2 H 2.023 0.020 2 1852 640 156 GLU HB3 H 2.104 0.020 2 1853 640 156 GLU HG2 H 2.331 0.020 2 1854 640 156 GLU HG3 H 2.332 0.020 2 1855 640 156 GLU C C 178.521 0.400 1 1856 640 156 GLU CA C 60.092 0.400 1 1857 640 156 GLU CB C 29.487 0.400 1 1858 640 156 GLU CG C 36.360 0.400 1 1859 640 156 GLU N N 116.529 0.400 1 1860 641 157 THR H H 7.689 0.020 1 1861 641 157 THR HA H 4.090 0.020 1 1862 641 157 THR HB H 4.327 0.020 1 1863 641 157 THR HG1 H 4.728 0.020 1 1864 641 157 THR HG2 H 1.245 0.020 1 1865 641 157 THR C C 177.395 0.400 1 1866 641 157 THR CA C 65.799 0.400 1 1867 641 157 THR CB C 68.790 0.400 1 1868 641 157 THR CG2 C 21.773 0.400 1 1869 641 157 THR N N 114.302 0.400 1 1870 642 158 LEU H H 8.153 0.020 1 1871 642 158 LEU HA H 4.159 0.020 1 1872 642 158 LEU HB2 H 1.371 0.020 2 1873 642 158 LEU HB3 H 2.017 0.020 2 1874 642 158 LEU HG H 1.773 0.020 1 1875 642 158 LEU HD1 H 0.808 0.020 2 1876 642 158 LEU HD2 H 0.888 0.020 2 1877 642 158 LEU C C 179.399 0.400 1 1878 642 158 LEU CA C 57.840 0.400 1 1879 642 158 LEU CB C 42.321 0.400 1 1880 642 158 LEU CG C 26.823 0.400 1 1881 642 158 LEU CD1 C 22.809 0.400 1 1882 642 158 LEU CD2 C 22.809 0.400 1 1883 642 158 LEU N N 121.733 0.400 1 1884 643 159 LEU H H 8.629 0.020 1 1885 643 159 LEU HA H 4.298 0.020 1 1886 643 159 LEU HB2 H 1.794 0.020 2 1887 643 159 LEU HB3 H 2.023 0.020 2 1888 643 159 LEU HG H 1.916 0.020 1 1889 643 159 LEU HD1 H 0.792 0.020 2 1890 643 159 LEU HD2 H 0.995 0.020 2 1891 643 159 LEU C C 175.916 0.400 1 1892 643 159 LEU CA C 57.519 0.400 1 1893 643 159 LEU CB C 42.721 0.400 1 1894 643 159 LEU CG C 25.159 0.400 1 1895 643 159 LEU CD1 C 23.352 0.400 1 1896 643 159 LEU CD2 C 23.352 0.400 1 1897 643 159 LEU N N 119.360 0.400 1 1898 644 160 TYR H H 7.185 0.020 1 1899 644 160 TYR HA H 4.592 0.020 1 1900 644 160 TYR HB2 H 3.011 0.020 2 1901 644 160 TYR HB3 H 3.467 0.020 2 1902 644 160 TYR HD1 H 7.137 0.020 1 1903 644 160 TYR HD2 H 7.140 0.020 1 1904 644 160 TYR HE1 H 6.720 0.020 1 1905 644 160 TYR HE2 H 6.720 0.020 1 1906 644 160 TYR C C 178.033 0.400 1 1907 644 160 TYR CA C 59.285 0.400 1 1908 644 160 TYR CB C 39.451 0.400 1 1909 644 160 TYR CD1 C 133.639 0.400 1 1910 644 160 TYR CD2 C 133.651 0.400 1 1911 644 160 TYR CE1 C 117.467 0.400 1 1912 644 160 TYR CE2 C 117.710 0.400 1 1913 644 160 TYR N N 111.674 0.400 1 1914 645 161 LYS H H 7.973 0.020 1 1915 645 161 LYS HA H 4.230 0.020 1 1916 645 161 LYS HB2 H 1.681 0.020 2 1917 645 161 LYS HB3 H 1.773 0.020 2 1918 645 161 LYS HG2 H 1.063 0.020 2 1919 645 161 LYS HG3 H 1.243 0.020 2 1920 645 161 LYS HD2 H 0.900 0.020 2 1921 645 161 LYS HD3 H 0.958 0.020 2 1922 645 161 LYS HE2 H 3.182 0.020 2 1923 645 161 LYS HE3 H 3.181 0.020 2 1924 645 161 LYS C C 176.873 0.400 1 1925 645 161 LYS CA C 59.163 0.400 1 1926 645 161 LYS CB C 28.675 0.400 1 1927 645 161 LYS CG C 21.639 0.400 1 1928 645 161 LYS CE C 43.394 0.400 1 1929 645 161 LYS N N 116.658 0.400 1 1930 646 162 PRO HA H 4.825 0.020 1 1931 646 162 PRO HB2 H 1.613 0.020 2 1932 646 162 PRO HB3 H 1.908 0.020 2 1933 646 162 PRO HG2 H 2.174 0.020 2 1934 646 162 PRO HG3 H 2.296 0.020 2 1935 646 162 PRO HD2 H 3.675 0.020 2 1936 646 162 PRO HD3 H 3.789 0.020 2 1937 646 162 PRO C C 178.203 0.400 1 1938 646 162 PRO CA C 65.643 0.400 1 1939 646 162 PRO CB C 31.079 0.400 1 1940 646 162 PRO CG C 27.275 0.400 1 1941 646 162 PRO CD C 50.900 0.400 1 1942 647 163 VAL H H 6.980 0.020 1 1943 647 163 VAL HA H 3.351 0.020 1 1944 647 163 VAL HB H 1.333 0.020 1 1945 647 163 VAL HG1 H 0.685 0.020 2 1946 647 163 VAL HG2 H 0.690 0.020 2 1947 647 163 VAL C C 178.633 0.400 1 1948 647 163 VAL CA C 66.044 0.400 1 1949 647 163 VAL CB C 30.498 0.400 1 1950 647 163 VAL CG1 C 21.765 0.400 1 1951 647 163 VAL CG2 C 21.787 0.400 1 1952 647 163 VAL N N 115.551 0.400 1 1953 648 164 ASP H H 7.222 0.020 1 1954 648 164 ASP HA H 4.216 0.020 1 1955 648 164 ASP HB2 H 2.604 0.020 2 1956 648 164 ASP HB3 H 2.627 0.020 2 1957 648 164 ASP C C 177.588 0.400 1 1958 648 164 ASP CA C 57.025 0.400 1 1959 648 164 ASP CB C 42.372 0.400 1 1960 648 164 ASP N N 119.192 0.400 1 1961 649 165 ARG H H 8.113 0.020 1 1962 649 165 ARG HA H 3.764 0.020 1 1963 649 165 ARG HB2 H 2.020 0.020 2 1964 649 165 ARG HB3 H 1.336 0.020 2 1965 649 165 ARG HG2 H 0.806 0.020 2 1966 649 165 ARG HG3 H 1.158 0.020 2 1967 649 165 ARG HD2 H 2.629 0.020 2 1968 649 165 ARG HD3 H 2.710 0.020 2 1969 649 165 ARG C C 179.927 0.400 1 1970 649 165 ARG CA C 57.770 0.400 1 1971 649 165 ARG CB C 29.290 0.400 1 1972 649 165 ARG CG C 23.328 0.400 1 1973 649 165 ARG CD C 42.175 0.400 1 1974 649 165 ARG N N 116.756 0.400 1 1975 650 166 VAL H H 7.999 0.020 1 1976 650 166 VAL HA H 3.639 0.020 1 1977 650 166 VAL HB H 2.355 0.020 1 1978 650 166 VAL HG1 H 0.982 0.020 2 1979 650 166 VAL HG2 H 0.502 0.020 2 1980 650 166 VAL C C 178.621 0.400 1 1981 650 166 VAL CA C 65.349 0.400 1 1982 650 166 VAL CB C 30.717 0.400 1 1983 650 166 VAL CG1 C 19.651 0.400 1 1984 650 166 VAL CG2 C 23.277 0.400 1 1985 650 166 VAL N N 119.304 0.400 1 1986 651 167 THR H H 7.657 0.020 1 1987 651 167 THR HA H 4.141 0.020 1 1988 651 167 THR HB H 4.387 0.020 1 1989 651 167 THR HG1 H 0.978 0.020 1 1990 651 167 THR HG2 H 1.321 0.020 1 1991 651 167 THR C C 175.738 0.400 1 1992 651 167 THR CA C 65.822 0.400 1 1993 651 167 THR CB C 68.928 0.400 1 1994 651 167 THR CG2 C 21.670 0.400 1 1995 651 167 THR N N 116.623 0.400 1 1996 652 168 ARG H H 7.530 0.020 1 1997 652 168 ARG HA H 4.349 0.020 1 1998 652 168 ARG HB2 H 2.009 0.020 2 1999 652 168 ARG HB3 H 2.274 0.020 2 2000 652 168 ARG HG2 H 1.692 0.020 2 2001 652 168 ARG HG3 H 1.774 0.020 2 2002 652 168 ARG HD2 H 3.129 0.020 2 2003 652 168 ARG HD3 H 3.817 0.020 2 2004 652 168 ARG HE H 7.522 0.020 1 2005 652 168 ARG C C 177.889 0.400 1 2006 652 168 ARG CA C 57.406 0.400 1 2007 652 168 ARG CB C 30.207 0.400 1 2008 652 168 ARG CG C 27.954 0.400 1 2009 652 168 ARG CD C 43.298 0.400 1 2010 652 168 ARG N N 118.971 0.400 1 2011 653 169 SER H H 8.003 0.020 1 2012 653 169 SER HA H 4.146 0.020 1 2013 653 169 SER HB2 H 3.636 0.020 2 2014 653 169 SER HB3 H 3.910 0.020 2 2015 653 169 SER HG H 5.466 0.020 1 2016 653 169 SER C C 176.238 0.400 1 2017 653 169 SER CA C 62.586 0.400 1 2018 653 169 SER CB C 63.025 0.400 1 2019 653 169 SER N N 114.318 0.400 1 2020 654 170 THR H H 7.545 0.020 1 2021 654 170 THR HA H 3.948 0.020 1 2022 654 170 THR HB H 3.939 0.020 1 2023 654 170 THR HG1 H 0.736 0.020 1 2024 654 170 THR HG2 H 1.150 0.020 1 2025 654 170 THR C C 175.714 0.400 1 2026 654 170 THR CA C 64.759 0.400 1 2027 654 170 THR CB C 67.745 0.400 1 2028 654 170 THR CG2 C 23.227 0.400 1 2029 654 170 THR N N 111.818 0.400 1 2030 655 171 LEU H H 7.303 0.020 1 2031 655 171 LEU HA H 4.131 0.020 1 2032 655 171 LEU HB2 H 1.727 0.020 2 2033 655 171 LEU HB3 H 1.880 0.020 2 2034 655 171 LEU HG H 1.777 0.020 1 2035 655 171 LEU HD1 H 0.927 0.020 2 2036 655 171 LEU HD2 H 0.927 0.020 2 2037 655 171 LEU C C 179.710 0.400 1 2038 655 171 LEU CA C 58.495 0.400 1 2039 655 171 LEU CB C 41.370 0.400 1 2040 655 171 LEU CG C 27.034 0.400 1 2041 655 171 LEU CD1 C 23.440 0.400 1 2042 655 171 LEU CD2 C 25.039 0.400 1 2043 655 171 LEU N N 123.430 0.400 1 2044 656 172 VAL H H 7.676 0.020 1 2045 656 172 VAL HA H 4.032 0.020 1 2046 656 172 VAL HB H 2.109 0.020 1 2047 656 172 VAL HG1 H 0.647 0.020 2 2048 656 172 VAL HG2 H 1.061 0.020 2 2049 656 172 VAL C C 177.629 0.400 1 2050 656 172 VAL CA C 64.934 0.400 1 2051 656 172 VAL CB C 31.538 0.400 1 2052 656 172 VAL CG1 C 21.524 0.400 1 2053 656 172 VAL CG2 C 21.524 0.400 1 2054 656 172 VAL N N 115.384 0.400 1 2055 657 173 LEU H H 7.149 0.020 1 2056 657 173 LEU HA H 3.833 0.020 1 2057 657 173 LEU HB2 H 1.260 0.020 2 2058 657 173 LEU HB3 H 1.872 0.020 2 2059 657 173 LEU HG H 1.683 0.020 1 2060 657 173 LEU HD1 H 0.651 0.020 2 2061 657 173 LEU HD2 H 0.745 0.020 2 2062 657 173 LEU C C 178.607 0.400 1 2063 657 173 LEU CA C 57.916 0.400 1 2064 657 173 LEU CB C 42.647 0.400 1 2065 657 173 LEU CG C 27.772 0.400 1 2066 657 173 LEU CD1 C 24.629 0.400 1 2067 657 173 LEU CD2 C 24.629 0.400 1 2068 657 173 LEU N N 120.182 0.400 1 2069 658 174 HIS H H 8.126 0.020 1 2070 658 174 HIS HA H 4.165 0.020 1 2071 658 174 HIS HB2 H 3.204 0.020 2 2072 658 174 HIS HB3 H 3.253 0.020 2 2073 658 174 HIS HD1 H 8.130 0.020 1 2074 658 174 HIS HD2 H 6.943 0.020 1 2075 658 174 HIS HE1 H 7.747 0.020 1 2076 658 174 HIS C C 178.561 0.400 1 2077 658 174 HIS CA C 60.480 0.400 1 2078 658 174 HIS CB C 30.239 0.400 1 2079 658 174 HIS CD2 C 121.105 0.400 1 2080 658 174 HIS CE1 C 138.666 0.400 1 2081 658 174 HIS N N 118.185 0.400 1 2082 659 175 ASP H H 7.803 0.020 1 2083 659 175 ASP HA H 4.435 0.020 1 2084 659 175 ASP HB2 H 2.664 0.020 2 2085 659 175 ASP HB3 H 2.928 0.020 2 2086 659 175 ASP C C 177.897 0.400 1 2087 659 175 ASP CA C 57.676 0.400 1 2088 659 175 ASP CB C 40.556 0.400 1 2089 659 175 ASP N N 120.008 0.400 1 2090 660 176 LEU H H 8.126 0.020 1 2091 660 176 LEU HA H 4.041 0.020 1 2092 660 176 LEU HB2 H 1.416 0.020 2 2093 660 176 LEU HB3 H 1.546 0.020 2 2094 660 176 LEU HG H 1.410 0.020 1 2095 660 176 LEU HD1 H 0.407 0.020 2 2096 660 176 LEU HD2 H 0.621 0.020 2 2097 660 176 LEU C C 180.621 0.400 1 2098 660 176 LEU CA C 57.819 0.400 1 2099 660 176 LEU CB C 42.331 0.400 1 2100 660 176 LEU CG C 26.526 0.400 1 2101 660 176 LEU CD1 C 26.501 0.400 1 2102 660 176 LEU CD2 C 24.191 0.400 1 2103 660 176 LEU N N 118.642 0.400 1 2104 661 177 LEU H H 8.688 0.020 1 2105 661 177 LEU HA H 3.764 0.020 1 2106 661 177 LEU HB2 H 1.589 0.020 2 2107 661 177 LEU HB3 H 1.663 0.020 2 2108 661 177 LEU HG H 1.335 0.020 1 2109 661 177 LEU HD1 H 0.466 0.020 2 2110 661 177 LEU HD2 H 0.584 0.020 2 2111 661 177 LEU C C 178.988 0.400 1 2112 661 177 LEU CA C 58.516 0.400 1 2113 661 177 LEU CB C 41.992 0.400 1 2114 661 177 LEU CG C 27.991 0.400 1 2115 661 177 LEU CD1 C 25.026 0.400 1 2116 661 177 LEU CD2 C 25.414 0.400 1 2117 661 177 LEU N N 122.489 0.400 1 2118 662 178 LYS H H 7.737 0.020 1 2119 662 178 LYS HA H 3.907 0.020 1 2120 662 178 LYS HB2 H 1.556 0.020 2 2121 662 178 LYS HB3 H 1.714 0.020 2 2122 662 178 LYS HG2 H 0.991 0.020 2 2123 662 178 LYS HG3 H 1.190 0.020 2 2124 662 178 LYS HD2 H 1.195 0.020 2 2125 662 178 LYS HD3 H 1.563 0.020 2 2126 662 178 LYS HE2 H 2.854 0.020 2 2127 662 178 LYS HE3 H 2.854 0.020 2 2128 662 178 LYS C C 177.311 0.400 1 2129 662 178 LYS CA C 59.002 0.400 1 2130 662 178 LYS CB C 32.009 0.400 1 2131 662 178 LYS CG C 24.488 0.400 1 2132 662 178 LYS CD C 29.500 0.400 1 2133 662 178 LYS CE C 42.114 0.400 1 2134 662 178 LYS N N 119.015 0.400 1 2135 663 179 HIS H H 6.916 0.020 1 2136 663 179 HIS HA H 4.872 0.020 1 2137 663 179 HIS HB2 H 2.528 0.020 2 2138 663 179 HIS HB3 H 3.701 0.020 2 2139 663 179 HIS HD1 H 6.913 0.020 1 2140 663 179 HIS HD2 H 7.125 0.020 1 2141 663 179 HIS HE1 H 7.713 0.020 1 2142 663 179 HIS C C 174.207 0.400 1 2143 663 179 HIS CA C 55.719 0.400 1 2144 663 179 HIS CB C 31.245 0.400 1 2145 663 179 HIS CD2 C 119.477 0.400 1 2146 663 179 HIS CE1 C 138.741 0.400 1 2147 663 179 HIS N N 113.866 0.400 1 2148 664 180 THR H H 7.709 0.020 1 2149 664 180 THR HA H 4.571 0.020 1 2150 664 180 THR HB H 4.250 0.020 1 2151 664 180 THR HG1 H 4.728 0.020 1 2152 664 180 THR HG2 H 1.157 0.020 1 2153 664 180 THR C C 171.368 0.400 1 2154 664 180 THR CA C 60.465 0.400 1 2155 664 180 THR CB C 70.179 0.400 1 2156 664 180 THR CG2 C 20.617 0.400 1 2157 664 180 THR N N 118.764 0.400 1 2158 665 181 PRO HA H 4.474 0.020 1 2159 665 181 PRO HB2 H 2.068 0.020 2 2160 665 181 PRO HB3 H 2.531 0.020 2 2161 665 181 PRO HG2 H 2.186 0.020 2 2162 665 181 PRO HG3 H 2.292 0.020 2 2163 665 181 PRO HD2 H 3.582 0.020 2 2164 665 181 PRO HD3 H 4.119 0.020 2 2165 665 181 PRO C C 177.089 0.400 1 2166 665 181 PRO CA C 62.996 0.400 1 2167 665 181 PRO CB C 32.714 0.400 1 2168 665 181 PRO CG C 27.860 0.400 1 2169 665 181 PRO CD C 51.270 0.400 1 2170 666 182 ALA H H 8.616 0.020 1 2171 666 182 ALA HA H 3.021 0.020 1 2172 666 182 ALA HB H 1.097 0.020 1 2173 666 182 ALA C C 177.738 0.400 1 2174 666 182 ALA CA C 54.123 0.400 1 2175 666 182 ALA CB C 17.739 0.400 1 2176 666 182 ALA N N 124.394 0.400 1 2177 667 183 SER H H 7.546 0.020 1 2178 667 183 SER HA H 4.316 0.020 1 2179 667 183 SER HB2 H 3.810 0.020 2 2180 667 183 SER HB3 H 4.095 0.020 2 2181 667 183 SER HG H 4.736 0.020 1 2182 667 183 SER C C 174.432 0.400 1 2183 667 183 SER CA C 57.595 0.400 1 2184 667 183 SER CB C 63.424 0.400 1 2185 667 183 SER N N 106.834 0.400 1 2186 668 184 HIS H H 8.258 0.020 1 2187 668 184 HIS HA H 4.719 0.020 1 2188 668 184 HIS HB2 H 3.129 0.020 2 2189 668 184 HIS HB3 H 3.326 0.020 2 2190 668 184 HIS HD1 H 8.265 0.020 1 2191 668 184 HIS HD2 H 7.308 0.020 1 2192 668 184 HIS HE1 H 7.693 0.020 1 2193 668 184 HIS C C 176.371 0.400 1 2194 668 184 HIS CA C 56.047 0.400 1 2195 668 184 HIS CB C 33.447 0.400 1 2196 668 184 HIS CD2 C 118.356 0.400 1 2197 668 184 HIS CE1 C 138.645 0.400 1 2198 668 184 HIS N N 127.359 0.400 1 2199 669 185 PRO HA H 4.416 0.020 1 2200 669 185 PRO HB2 H 1.830 0.020 2 2201 669 185 PRO HB3 H 2.400 0.020 2 2202 669 185 PRO HG2 H 1.681 0.020 2 2203 669 185 PRO HG3 H 1.947 0.020 2 2204 669 185 PRO HD3 H 3.594 0.020 2 2205 669 185 PRO C C 175.128 0.400 1 2206 669 185 PRO CA C 65.062 0.400 1 2207 669 185 PRO CB C 32.255 0.400 1 2208 669 185 PRO CG C 27.475 0.400 1 2209 669 185 PRO CD C 50.725 0.400 1 2210 670 186 ASP H H 7.999 0.020 1 2211 670 186 ASP HA H 4.934 0.020 1 2212 670 186 ASP HB2 H 2.451 0.020 2 2213 670 186 ASP HB3 H 3.172 0.020 2 2214 670 186 ASP C C 179.115 0.400 1 2215 670 186 ASP CA C 56.718 0.400 1 2216 670 186 ASP CB C 40.821 0.400 1 2217 670 186 ASP N N 120.728 0.400 1 2218 671 187 HIS H H 8.733 0.020 1 2219 671 187 HIS HA H 3.888 0.020 1 2220 671 187 HIS HB2 H 1.924 0.020 2 2221 671 187 HIS HB3 H 2.278 0.020 2 2222 671 187 HIS HD1 H 6.616 0.020 1 2223 671 187 HIS HD2 H 7.023 0.020 1 2224 671 187 HIS HE1 H 7.707 0.020 1 2225 671 187 HIS C C 173.805 0.400 1 2226 671 187 HIS CB C 28.389 0.400 1 2227 671 187 HIS CD2 C 127.639 0.400 1 2228 671 187 HIS CE1 C 138.611 0.400 1 2229 671 187 HIS N N 121.409 0.400 1 2230 672 188 PRO HA H 4.504 0.020 1 2231 672 188 PRO HB2 H 2.008 0.020 2 2232 672 188 PRO HB3 H 2.445 0.020 2 2233 672 188 PRO HG2 H 2.129 0.020 2 2234 672 188 PRO HG3 H 2.275 0.020 2 2235 672 188 PRO HD2 H 3.985 0.020 2 2236 672 188 PRO HD3 H 4.187 0.020 2 2237 672 188 PRO C C 179.855 0.400 1 2238 672 188 PRO CA C 65.763 0.400 1 2239 672 188 PRO CB C 30.745 0.400 1 2240 672 188 PRO CG C 28.647 0.400 1 2241 672 188 PRO CD C 49.873 0.400 1 2242 673 189 LEU H H 6.617 0.020 1 2243 673 189 LEU HA H 4.213 0.020 1 2244 673 189 LEU HB2 H 0.929 0.020 2 2245 673 189 LEU HB3 H 1.471 0.020 2 2246 673 189 LEU HG H 1.922 0.020 1 2247 673 189 LEU HD1 H 0.921 0.020 2 2248 673 189 LEU HD2 H 1.090 0.020 2 2249 673 189 LEU C C 179.513 0.400 1 2250 673 189 LEU CA C 58.137 0.400 1 2251 673 189 LEU CB C 41.975 0.400 1 2252 673 189 LEU CG C 25.763 0.400 1 2253 673 189 LEU CD1 C 23.106 0.400 1 2254 673 189 LEU CD2 C 23.106 0.400 1 2255 673 189 LEU N N 117.864 0.400 1 2256 674 190 LEU H H 8.437 0.020 1 2257 674 190 LEU HA H 3.965 0.020 1 2258 674 190 LEU HB2 H 0.953 0.020 2 2259 674 190 LEU HB3 H 0.957 0.020 2 2260 674 190 LEU HG H 0.583 0.020 1 2261 674 190 LEU HD1 H 0.578 0.020 2 2262 674 190 LEU HD2 H 0.453 0.020 2 2263 674 190 LEU C C 178.852 0.400 1 2264 674 190 LEU CA C 57.279 0.400 1 2265 674 190 LEU CB C 41.709 0.400 1 2266 674 190 LEU CG C 26.702 0.400 1 2267 674 190 LEU CD1 C 26.750 0.400 1 2268 674 190 LEU CD2 C 22.808 0.400 1 2269 674 190 LEU N N 118.853 0.400 1 2270 675 191 GLN H H 8.350 0.020 1 2271 675 191 GLN HA H 3.886 0.020 1 2272 675 191 GLN HB2 H 2.052 0.020 2 2273 675 191 GLN HB3 H 2.402 0.020 2 2274 675 191 GLN HG2 H 2.109 0.020 2 2275 675 191 GLN HG3 H 2.331 0.020 2 2276 675 191 GLN HE21 H 6.861 0.020 2 2277 675 191 GLN HE22 H 7.329 0.020 2 2278 675 191 GLN C C 178.979 0.400 1 2279 675 191 GLN CA C 59.517 0.400 1 2280 675 191 GLN CB C 28.713 0.400 1 2281 675 191 GLN CG C 34.038 0.400 1 2282 675 191 GLN N N 118.491 0.400 1 2283 676 192 ASP H H 7.805 0.020 1 2284 676 192 ASP HA H 4.542 0.020 1 2285 676 192 ASP HB2 H 2.786 0.020 2 2286 676 192 ASP HB3 H 2.815 0.020 2 2287 676 192 ASP C C 177.401 0.400 1 2288 676 192 ASP CA C 57.753 0.400 1 2289 676 192 ASP CB C 41.766 0.400 1 2290 676 192 ASP N N 120.629 0.400 1 2291 677 193 ALA H H 8.141 0.020 1 2292 677 193 ALA HA H 3.942 0.020 1 2293 677 193 ALA HB H 1.411 0.020 1 2294 677 193 ALA C C 180.521 0.400 1 2295 677 193 ALA CA C 55.285 0.400 1 2296 677 193 ALA CB C 17.461 0.400 1 2297 677 193 ALA N N 120.311 0.400 1 2298 678 194 LEU H H 8.607 0.020 1 2299 678 194 LEU HA H 3.930 0.020 1 2300 678 194 LEU HB2 H 1.280 0.020 2 2301 678 194 LEU HB3 H 2.014 0.020 2 2302 678 194 LEU HG H 0.698 0.020 1 2303 678 194 LEU HD1 H 0.722 0.020 2 2304 678 194 LEU HD2 H 0.730 0.020 2 2305 678 194 LEU C C 177.111 0.400 1 2306 678 194 LEU CA C 58.638 0.400 1 2307 678 194 LEU CB C 41.202 0.400 1 2308 678 194 LEU CG C 26.408 0.400 1 2309 678 194 LEU CD1 C 26.508 0.400 1 2310 678 194 LEU CD2 C 23.470 0.400 1 2311 678 194 LEU N N 122.396 0.400 1 2312 679 195 ARG H H 8.069 0.020 1 2313 679 195 ARG HA H 4.091 0.020 1 2314 679 195 ARG HB2 H 2.009 0.020 2 2315 679 195 ARG HB3 H 2.158 0.020 2 2316 679 195 ARG HG2 H 1.552 0.020 2 2317 679 195 ARG HG3 H 1.771 0.020 2 2318 679 195 ARG HD2 H 3.227 0.020 2 2319 679 195 ARG HD3 H 3.363 0.020 2 2320 679 195 ARG C C 179.310 0.400 1 2321 679 195 ARG CA C 59.682 0.400 1 2322 679 195 ARG CB C 30.002 0.400 1 2323 679 195 ARG CG C 27.227 0.400 1 2324 679 195 ARG CD C 43.266 0.400 1 2325 679 195 ARG N N 121.672 0.400 1 2326 680 196 ILE H H 8.393 0.020 1 2327 680 196 ILE HA H 3.731 0.020 1 2328 680 196 ILE HB H 1.722 0.020 1 2329 680 196 ILE HG12 H 1.127 0.020 2 2330 680 196 ILE HG13 H 1.764 0.020 2 2331 680 196 ILE HG2 H 1.569 0.020 1 2332 680 196 ILE HD1 H 0.806 0.020 1 2333 680 196 ILE C C 179.848 0.400 1 2334 680 196 ILE CA C 65.146 0.400 1 2335 680 196 ILE CB C 38.799 0.400 1 2336 680 196 ILE CG1 C 29.090 0.400 1 2337 680 196 ILE CG2 C 17.982 0.400 1 2338 680 196 ILE CD1 C 13.472 0.400 1 2339 680 196 ILE N N 118.930 0.400 1 2340 681 197 SER H H 8.171 0.020 1 2341 681 197 SER HA H 4.212 0.020 1 2342 681 197 SER HB2 H 3.740 0.020 2 2343 681 197 SER HB3 H 3.799 0.020 2 2344 681 197 SER HG H 4.520 0.020 1 2345 681 197 SER C C 175.455 0.400 1 2346 681 197 SER CA C 62.528 0.400 1 2347 681 197 SER CB C 62.410 0.400 1 2348 681 197 SER N N 117.379 0.400 1 2349 682 198 GLN H H 9.142 0.020 1 2350 682 198 GLN HA H 4.026 0.020 1 2351 682 198 GLN HB2 H 2.084 0.020 2 2352 682 198 GLN HB3 H 2.294 0.020 2 2353 682 198 GLN HG2 H 2.390 0.020 2 2354 682 198 GLN HG3 H 2.505 0.020 2 2355 682 198 GLN HE21 H 6.915 0.020 2 2356 682 198 GLN HE22 H 7.432 0.020 2 2357 682 198 GLN C C 178.983 0.400 1 2358 682 198 GLN CA C 59.104 0.400 1 2359 682 198 GLN CB C 28.462 0.400 1 2360 682 198 GLN CG C 34.423 0.400 1 2361 682 198 GLN N N 121.929 0.400 1 2362 683 199 ASN H H 8.300 0.020 1 2363 683 199 ASN HA H 4.473 0.020 1 2364 683 199 ASN HB2 H 2.855 0.020 2 2365 683 199 ASN HB3 H 2.996 0.020 2 2366 683 199 ASN HD21 H 7.672 0.020 2 2367 683 199 ASN HD22 H 8.211 0.020 2 2368 683 199 ASN C C 178.139 0.400 1 2369 683 199 ASN CA C 56.135 0.400 1 2370 683 199 ASN CB C 37.874 0.400 1 2371 683 199 ASN N N 119.151 0.400 1 2372 684 200 PHE H H 8.136 0.020 1 2373 684 200 PHE HA H 4.315 0.020 1 2374 684 200 PHE HB2 H 3.297 0.020 2 2375 684 200 PHE HB3 H 3.310 0.020 2 2376 684 200 PHE HD1 H 7.178 0.020 1 2377 684 200 PHE HD2 H 7.189 0.020 1 2378 684 200 PHE HE1 H 7.177 0.020 1 2379 684 200 PHE HE2 H 7.185 0.020 1 2380 684 200 PHE HZ H 7.183 0.020 1 2381 684 200 PHE C C 179.082 0.400 1 2382 684 200 PHE CA C 61.408 0.400 1 2383 684 200 PHE CB C 39.340 0.400 1 2384 684 200 PHE CD1 C 131.062 0.400 1 2385 684 200 PHE CD2 C 132.121 0.400 1 2386 684 200 PHE CE1 C 129.249 0.400 1 2387 684 200 PHE CE2 C 129.973 0.400 1 2388 684 200 PHE CZ C 125.684 0.400 1 2389 684 200 PHE N N 121.168 0.400 1 2390 685 201 LEU H H 8.478 0.020 1 2391 685 201 LEU HA H 3.876 0.020 1 2392 685 201 LEU HB2 H 1.912 0.020 2 2393 685 201 LEU HB3 H 1.973 0.020 2 2394 685 201 LEU HG H 1.624 0.020 1 2395 685 201 LEU HD1 H 0.980 0.020 2 2396 685 201 LEU HD2 H 1.046 0.020 2 2397 685 201 LEU C C 179.469 0.400 1 2398 685 201 LEU CA C 57.748 0.400 1 2399 685 201 LEU CB C 41.276 0.400 1 2400 685 201 LEU CG C 27.221 0.400 1 2401 685 201 LEU CD1 C 23.579 0.400 1 2402 685 201 LEU CD2 C 25.865 0.400 1 2403 685 201 LEU N N 120.681 0.400 1 2404 686 202 SER H H 8.211 0.020 1 2405 686 202 SER HA H 4.296 0.020 1 2406 686 202 SER HB2 H 4.022 0.020 2 2407 686 202 SER HB3 H 4.022 0.020 2 2408 686 202 SER HG H 7.240 0.020 1 2409 686 202 SER C C 175.542 0.400 1 2410 686 202 SER CA C 61.293 0.400 1 2411 686 202 SER CB C 63.029 0.400 1 2412 686 202 SER N N 113.954 0.400 1 2413 687 203 SER H H 7.675 0.020 1 2414 687 203 SER HA H 4.468 0.020 1 2415 687 203 SER HB2 H 3.939 0.020 2 2416 687 203 SER HB3 H 4.030 0.020 2 2417 687 203 SER HG H 7.878 0.020 1 2418 687 203 SER C C 175.050 0.400 1 2419 687 203 SER CA C 59.867 0.400 1 2420 687 203 SER CB C 63.896 0.400 1 2421 687 203 SER N N 116.050 0.400 1 2422 688 204 ILE H H 7.245 0.020 1 2423 688 204 ILE HA H 4.312 0.020 1 2424 688 204 ILE HB H 1.922 0.020 1 2425 688 204 ILE HG12 H 0.964 0.020 2 2426 688 204 ILE HG13 H 1.346 0.020 2 2427 688 204 ILE HG2 H 0.724 0.020 1 2428 688 204 ILE HD1 H 0.725 0.020 1 2429 688 204 ILE C C 176.044 0.400 1 2430 688 204 ILE CA C 61.795 0.400 1 2431 688 204 ILE CB C 38.577 0.400 1 2432 688 204 ILE CG1 C 26.794 0.400 1 2433 688 204 ILE CG2 C 17.516 0.400 1 2434 688 204 ILE CD1 C 13.883 0.400 1 2435 688 204 ILE N N 118.820 0.400 1 2436 689 205 ASN H H 8.043 0.020 1 2437 689 205 ASN HA H 4.586 0.020 1 2438 689 205 ASN HB2 H 2.860 0.020 2 2439 689 205 ASN HB3 H 2.861 0.020 2 2440 689 205 ASN HD21 H 6.884 0.020 2 2441 689 205 ASN HD22 H 7.637 0.020 2 2442 689 205 ASN C C 176.029 0.400 1 2443 689 205 ASN CA C 54.916 0.400 1 2444 689 205 ASN CB C 39.283 0.400 1 2445 689 205 ASN N N 121.501 0.400 1 2446 690 206 GLU H H 8.375 0.020 1 2447 690 206 GLU HA H 4.241 0.020 1 2448 690 206 GLU HB2 H 2.022 0.020 2 2449 690 206 GLU HB3 H 2.107 0.020 2 2450 690 206 GLU HG2 H 2.315 0.020 2 2451 690 206 GLU HG3 H 2.324 0.020 2 2452 690 206 GLU C C 176.957 0.400 1 2453 690 206 GLU CA C 57.690 0.400 1 2454 690 206 GLU CB C 30.090 0.400 1 2455 690 206 GLU CG C 36.449 0.400 1 2456 690 206 GLU N N 119.664 0.400 1 2457 691 207 GLU H H 8.301 0.020 1 2458 691 207 GLU HA H 4.296 0.020 1 2459 691 207 GLU HB2 H 2.028 0.020 2 2460 691 207 GLU HB3 H 2.094 0.020 2 2461 691 207 GLU HG2 H 2.016 0.020 2 2462 691 207 GLU HG3 H 2.327 0.020 2 2463 691 207 GLU C C 176.973 0.400 1 2464 691 207 GLU CA C 57.303 0.400 1 2465 691 207 GLU CB C 30.117 0.400 1 2466 691 207 GLU CG C 36.375 0.400 1 2467 691 207 GLU N N 119.274 0.400 1 2468 692 208 ILE H H 7.855 0.020 1 2469 692 208 ILE HA H 4.295 0.020 1 2470 692 208 ILE HB H 2.008 0.020 1 2471 692 208 ILE HG12 H 1.510 0.020 2 2472 692 208 ILE HG13 H 1.264 0.020 2 2473 692 208 ILE HG2 H 0.907 0.020 1 2474 692 208 ILE HD1 H 0.864 0.020 1 2475 692 208 ILE C C 176.080 0.400 1 2476 692 208 ILE CA C 61.567 0.400 1 2477 692 208 ILE CB C 38.367 0.400 1 2478 692 208 ILE CG1 C 27.312 0.400 1 2479 692 208 ILE CG2 C 17.992 0.400 1 2480 692 208 ILE CD1 C 13.325 0.400 1 2481 692 208 ILE N N 118.445 0.400 1 2482 693 209 THR H H 7.965 0.020 1 2483 693 209 THR HA H 4.623 0.020 1 2484 693 209 THR HB H 4.218 0.020 1 2485 693 209 THR HG1 H 7.650 0.020 1 2486 693 209 THR HG2 H 1.240 0.020 1 2487 693 209 THR C C 172.688 0.400 1 2488 693 209 THR CA C 60.446 0.400 1 2489 693 209 THR CB C 69.592 0.400 1 2490 693 209 THR CG2 C 21.661 0.400 1 2491 693 209 THR N N 118.932 0.400 1 2492 694 210 PRO HA H 4.413 0.020 1 2493 694 210 PRO HB2 H 1.992 0.020 2 2494 694 210 PRO HB3 H 2.199 0.020 2 2495 694 210 PRO HG2 H 1.888 0.020 2 2496 694 210 PRO HG3 H 2.001 0.020 2 2497 694 210 PRO HD2 H 3.673 0.020 2 2498 694 210 PRO HD3 H 3.794 0.020 2 2499 694 210 PRO C C 177.067 0.400 1 2500 694 210 PRO CA C 63.545 0.400 1 2501 694 210 PRO CB C 32.004 0.400 1 2502 694 210 PRO CG C 27.502 0.400 1 2503 694 210 PRO CD C 51.009 0.400 1 2504 695 211 ARG H H 8.319 0.020 1 2505 695 211 ARG HA H 4.294 0.020 1 2506 695 211 ARG HB2 H 1.760 0.020 2 2507 695 211 ARG HB3 H 1.845 0.020 2 2508 695 211 ARG HG2 H 1.644 0.020 2 2509 695 211 ARG HG3 H 1.645 0.020 2 2510 695 211 ARG HD2 H 3.182 0.020 2 2511 695 211 ARG HD3 H 3.183 0.020 2 2512 695 211 ARG HE H 7.989 0.020 1 2513 695 211 ARG C C 176.543 0.400 1 2514 695 211 ARG CA C 56.218 0.400 1 2515 695 211 ARG CB C 30.696 0.400 1 2516 695 211 ARG CG C 27.257 0.400 1 2517 695 211 ARG CD C 43.371 0.400 1 2518 695 211 ARG N N 121.023 0.400 1 2519 696 212 ARG H H 8.293 0.020 1 2520 696 212 ARG HA H 4.319 0.020 1 2521 696 212 ARG HB2 H 1.845 0.020 2 2522 696 212 ARG HB3 H 1.759 0.020 2 2523 696 212 ARG HG2 H 1.644 0.020 2 2524 696 212 ARG HG3 H 1.839 0.020 2 2525 696 212 ARG HD2 H 3.180 0.020 2 2526 696 212 ARG HD3 H 3.262 0.020 2 2527 696 212 ARG HE H 7.684 0.020 1 2528 696 212 ARG C C 176.392 0.400 1 2529 696 212 ARG CA C 56.262 0.400 1 2530 696 212 ARG CB C 30.830 0.400 1 2531 696 212 ARG CG C 27.196 0.400 1 2532 696 212 ARG CD C 43.395 0.400 1 2533 696 212 ARG N N 121.992 0.400 1 2534 697 213 GLN H H 8.444 0.020 1 2535 697 213 GLN HA H 4.330 0.020 1 2536 697 213 GLN HB2 H 1.974 0.020 2 2537 697 213 GLN HB3 H 2.350 0.020 2 2538 697 213 GLN HG2 H 2.111 0.020 2 2539 697 213 GLN HG3 H 2.350 0.020 2 2540 697 213 GLN HE21 H 6.822 0.020 2 2541 697 213 GLN HE22 H 7.511 0.020 2 2542 697 213 GLN C C 176.047 0.400 1 2543 697 213 GLN CA C 56.037 0.400 1 2544 697 213 GLN CB C 29.575 0.400 1 2545 697 213 GLN CG C 33.889 0.400 1 2546 697 213 GLN N N 121.530 0.400 1 2547 698 214 SER H H 8.358 0.020 1 2548 698 214 SER HA H 4.433 0.020 1 2549 698 214 SER HB2 H 3.879 0.020 2 2550 698 214 SER HB3 H 3.882 0.020 2 2551 698 214 SER HG H 4.729 0.020 1 2552 698 214 SER C C 174.548 0.400 1 2553 698 214 SER CA C 58.462 0.400 1 2554 698 214 SER CB C 63.796 0.400 1 2555 698 214 SER N N 116.822 0.400 1 2556 699 215 MET H H 8.382 0.020 1 2557 699 215 MET HA H 4.556 0.020 1 2558 699 215 MET HB2 H 2.009 0.020 2 2559 699 215 MET HB3 H 2.112 0.020 2 2560 699 215 MET HG2 H 2.024 0.020 2 2561 699 215 MET HG3 H 2.579 0.020 2 2562 699 215 MET HE H 2.157 0.020 1 2563 699 215 MET C C 176.232 0.400 1 2564 699 215 MET CA C 55.631 0.400 1 2565 699 215 MET CB C 33.040 0.400 1 2566 699 215 MET CG C 32.118 0.400 1 2567 699 215 MET CE C 17.159 0.400 1 2568 699 215 MET N N 122.117 0.400 1 2569 700 216 THR H H 8.156 0.020 1 2570 700 216 THR HA H 4.347 0.020 1 2571 700 216 THR HB H 4.165 0.020 1 2572 700 216 THR HG1 H 4.732 0.020 1 2573 700 216 THR HG2 H 1.185 0.020 1 2574 700 216 THR C C 174.266 0.400 1 2575 700 216 THR CA C 62.071 0.400 1 2576 700 216 THR CB C 69.891 0.400 1 2577 700 216 THR CG2 C 21.762 0.400 1 2578 700 216 THR N N 115.822 0.400 1 2579 701 217 VAL H H 8.156 0.020 1 2580 701 217 VAL HA H 4.132 0.020 1 2581 701 217 VAL HB H 2.080 0.020 1 2582 701 217 VAL HG1 H 0.934 0.020 2 2583 701 217 VAL HG2 H 0.932 0.020 2 2584 701 217 VAL C C 175.036 0.400 1 2585 701 217 VAL CA C 62.474 0.400 1 2586 701 217 VAL CB C 32.838 0.400 1 2587 701 217 VAL CG1 C 21.239 0.400 1 2588 701 217 VAL CG2 C 20.541 0.400 1 2589 701 217 VAL N N 123.563 0.400 1 2590 702 218 LYS H H 7.930 0.020 1 2591 702 218 LYS HA H 4.173 0.020 1 2592 702 218 LYS HB2 H 1.371 0.020 2 2593 702 218 LYS HB3 H 1.706 0.020 2 2594 702 218 LYS HG2 H 0.949 0.020 2 2595 702 218 LYS HG3 H 1.185 0.020 2 2596 702 218 LYS HD2 H 1.818 0.020 2 2597 702 218 LYS HD3 H 1.818 0.020 2 2598 702 218 LYS HE3 H 2.988 0.020 2 2599 702 218 LYS C C 181.110 0.400 1 2600 702 218 LYS CA C 57.730 0.400 1 2601 702 218 LYS CB C 33.876 0.400 1 2602 702 218 LYS CG C 24.951 0.400 1 2603 702 218 LYS CE C 42.203 0.400 1 2604 702 218 LYS N N 130.335 0.400 1 stop_ save_