data_27395 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and methyl assignments for human Hsc70 substrate binding domain ; _BMRB_accession_number 27395 _BMRB_flat_file_name bmr27395.str _Entry_type original _Submission_date 2018-01-31 _Accession_date 2018-01-31 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Hsc70 residues 395-532 with QPGGGKVQIINKKLD in cis, followed by GGGHHHHHH' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zuiderweg Erik R.P. . 2 Morshauser Robert . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 202 "13C chemical shifts" 460 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-07-13 update BMRB 'update entry citation' 2018-05-09 original author 'original release' stop_ _Original_release_date 2018-02-01 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The disorderly conduct of Hsc70 and its interaction with the Alzheimer's related Tau protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29764935 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Taylor Isabelle R. . 2 Ahmad Atta . . 3 Wu T. . . 4 Nordhues Bryce A. . 5 Bhullar Anup . . 6 Gestwicki Jason E. . 7 Zuiderweg Erik R.P. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 293 _Journal_issue 27 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10796 _Page_last 10809 _Year 2018 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citations_2 _Saveframe_category citation _Citation_full . _Citation_title ; High resolution solution structure of the 18 kda substrate binding domain of the mammalian chaperone protein hsc70. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 10373374 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Morshauser Robert C. . 2 Hu Weidong . . 3 Wang Hong . . 4 Pang Yuxi . . 5 Flynn Greg C. . 6 Zuiderweg Erik R.P. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full . _Journal_volume 289 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 1387 _Page_last 1403 _Year 1999 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Hsc70 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Hsc70 $Hsc70-SBD stop_ _System_molecular_weight 18000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Hsc70-SBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Hsc70-SBD _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MSNADVTPLSLGIETAGGVM TVLIKRNTTIPTKQTQTFTT YSDNQPGVLIQVYEGERAMT KDNNLLGKFELTGIPPAPRG VPQIEVTFDIDANGILNVSA VDKSTGKENKITITNDKGRL SKEDIERMVQEAEKYKAEDE KQQPGGGKVQIINKKLDGGG HHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 391 MET 2 392 SER 3 393 ASN 4 394 ALA 5 395 ASP 6 396 VAL 7 397 THR 8 398 PRO 9 399 LEU 10 400 SER 11 401 LEU 12 402 GLY 13 403 ILE 14 404 GLU 15 405 THR 16 406 ALA 17 407 GLY 18 408 GLY 19 409 VAL 20 410 MET 21 411 THR 22 412 VAL 23 413 LEU 24 414 ILE 25 415 LYS 26 416 ARG 27 417 ASN 28 418 THR 29 419 THR 30 420 ILE 31 421 PRO 32 422 THR 33 423 LYS 34 424 GLN 35 425 THR 36 426 GLN 37 427 THR 38 428 PHE 39 429 THR 40 430 THR 41 431 TYR 42 432 SER 43 433 ASP 44 434 ASN 45 435 GLN 46 436 PRO 47 437 GLY 48 438 VAL 49 439 LEU 50 440 ILE 51 441 GLN 52 442 VAL 53 443 TYR 54 444 GLU 55 445 GLY 56 446 GLU 57 447 ARG 58 448 ALA 59 449 MET 60 450 THR 61 451 LYS 62 452 ASP 63 453 ASN 64 454 ASN 65 455 LEU 66 456 LEU 67 457 GLY 68 458 LYS 69 459 PHE 70 460 GLU 71 461 LEU 72 462 THR 73 463 GLY 74 464 ILE 75 465 PRO 76 466 PRO 77 467 ALA 78 468 PRO 79 469 ARG 80 470 GLY 81 471 VAL 82 472 PRO 83 473 GLN 84 474 ILE 85 475 GLU 86 476 VAL 87 477 THR 88 478 PHE 89 479 ASP 90 480 ILE 91 481 ASP 92 482 ALA 93 483 ASN 94 484 GLY 95 485 ILE 96 486 LEU 97 487 ASN 98 488 VAL 99 489 SER 100 490 ALA 101 491 VAL 102 492 ASP 103 493 LYS 104 494 SER 105 495 THR 106 496 GLY 107 497 LYS 108 498 GLU 109 499 ASN 110 500 LYS 111 501 ILE 112 502 THR 113 503 ILE 114 504 THR 115 505 ASN 116 506 ASP 117 507 LYS 118 508 GLY 119 509 ARG 120 510 LEU 121 511 SER 122 512 LYS 123 513 GLU 124 514 ASP 125 515 ILE 126 516 GLU 127 517 ARG 128 518 MET 129 519 VAL 130 520 GLN 131 521 GLU 132 522 ALA 133 523 GLU 134 524 LYS 135 525 TYR 136 526 LYS 137 527 ALA 138 528 GLU 139 529 ASP 140 530 GLU 141 531 LYS 142 532 GLN 143 533 GLN 144 534 PRO 145 535 GLY 146 536 GLY 147 537 GLY 148 538 LYS 149 539 VAL 150 540 GLN 151 541 ILE 152 542 ILE 153 543 ASN 154 544 LYS 155 545 LYS 156 546 LEU 157 547 ASP 158 548 GLY 159 549 GLY 160 550 GLY 161 551 HIS 162 552 HIS 163 553 HIS 164 554 HIS 165 555 HIS 166 556 HIS 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 $Hsc70-SBD Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Hsc70-SBD 'recombinant technology' . Escherichia coli BL21 pET stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_HSC70-BETA-TAU _Saveframe_category sample _Sample_type solution _Details ; Hsc70 395-556 TAU in trans ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Hsc70-SBD 0.30 mM '[U-100% 13C; U-100% 15N]' Tris 25 mM 'natural abundance' KCl 25 mM 'natural abundance' EDTA 1 mM 'natural abundance' DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' stop_ save_ save_HSC70-BETA _Saveframe_category sample _Sample_type solution _Details ; HSC70 391-508 + TAU in trans ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Hsc70-SBD 0.5 mM '[U-100% 13C; U-100% 15N]' Ac-VQIINKKG-NH2 1 mM 'natural abundance' Tris 25 mM 'natural abundance' KCl 25 mM 'natural abundance' EDTA 1 mM 'natural abundance' DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_EZ-ASSIGN _Saveframe_category software _Name EZ-ASSIGN _Version 4.1 loop_ _Vendor _Address _Electronic_address Zuiderweg . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC TROSY' _Sample_label $HSC70-BETA save_ save_3D_HNCATROSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCATROSY' _Sample_label $HSC70-BETA save_ save_3D_HN(CO)CATROSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CATROSY' _Sample_label $HSC70-BETA save_ save_3D_HNCOTROSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOTROSY' _Sample_label $HSC70-BETA save_ save_3D_HN(CA)COTROSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)COTROSY' _Sample_label $HSC70-BETA save_ save_3D_HNCACBTROSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACBTROSY' _Sample_label $HSC70-BETA save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $HSC70-BETA-TAU save_ save_2D_1H-15N_HSQC_TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC TROSY' _Sample_label $HSC70-BETA-TAU save_ save_3D_HNCATROSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCATROSY' _Sample_label $HSC70-BETA-TAU save_ save_3D_HN(CO)CATROSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CATROSY' _Sample_label $HSC70-BETA-TAU save_ save_3D_HNCOTROSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOTROSY' _Sample_label $HSC70-BETA-TAU save_ save_3D_HN(CA)COTROSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)COTROSY' _Sample_label $HSC70-BETA-TAU save_ save_3D_HNCACBTROSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACBTROSY' _Sample_label $HSC70-BETA-TAU save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $HSC70-BETA-TAU save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $HSC70-BETA-TAU save_ save_3D_1H-13C_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $HSC70-BETA-TAU save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details ; 25 mM Tris, 25 mM KCl, 1 mM EDTA, 1 mM DTT, 0.02% NaN3, pH 7.3 905 H2O 10% D2O ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7.3 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TMS C 13 'methyl carbons' ppm 0 external direct . . . 4 water H 1 protons ppm 4.8 internal direct . . . 1 'ammonium nitrate' N 15 nitrogen ppm 353 external direct . . . 10 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HN(CA)COTROSY' '3D HNCACBTROSY' stop_ loop_ _Sample_label $HSC70-BETA stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Hsc70 _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 1 394 4 ALA HB H 1.31 0.01 1 2 394 4 ALA C C 177.00 0.01 1 3 394 4 ALA CA C 52.40 0.01 1 4 394 4 ALA CB C 19.40 0.10 1 5 395 5 ASP H H 8.38 0.00 1 6 395 5 ASP C C 175.00 0.01 1 7 395 5 ASP CA C 54.40 0.01 1 8 395 5 ASP CB C 41.30 0.10 1 9 395 5 ASP N N 120.96 0.10 1 10 396 6 VAL H H 7.58 0.00 1 11 396 6 VAL HG1 H 0.60 0.01 2 12 396 6 VAL HG2 H 0.61 0.01 2 13 396 6 VAL C C 177.20 0.01 1 14 396 6 VAL CA C 57.70 0.01 1 15 396 6 VAL CB C 36.40 0.10 1 16 396 6 VAL CG1 C 21.20 0.10 2 17 396 6 VAL CG2 C 17.74 0.10 2 18 396 6 VAL N N 110.86 0.10 1 19 397 7 THR H H 8.73 0.00 1 20 397 7 THR HG2 H 1.16 0.01 1 21 397 7 THR C C 175.60 0.01 1 22 397 7 THR CA C 58.60 0.01 1 23 397 7 THR CB C 68.80 0.10 1 24 397 7 THR CG2 C 23.82 0.10 1 25 397 7 THR N N 115.16 0.10 1 26 398 8 PRO C C 176.70 0.01 1 27 398 8 PRO CA C 64.30 0.01 1 28 398 8 PRO CB C 32.10 0.10 1 29 399 9 LEU H H 7.29 0.00 1 30 399 9 LEU HD1 H 0.75 0.01 2 31 399 9 LEU HD2 H 1.00 0.01 2 32 399 9 LEU C C 177.10 0.01 1 33 399 9 LEU CA C 53.00 0.01 1 34 399 9 LEU CB C 48.50 0.10 1 35 399 9 LEU CD1 C 25.90 0.10 2 36 399 9 LEU CD2 C 24.04 0.10 2 37 399 9 LEU N N 116.26 0.10 1 38 400 10 SER CA C 60.30 0.01 1 39 400 10 SER CB C 62.30 0.10 1 40 401 11 LEU H H 8.54 0.00 1 41 401 11 LEU HD1 H 0.67 0.01 2 42 401 11 LEU HD2 H 0.54 0.01 2 43 401 11 LEU CA C 52.90 0.01 1 44 401 11 LEU CB C 47.70 0.10 1 45 401 11 LEU CD1 C 25.69 0.10 2 46 401 11 LEU CD2 C 22.90 0.10 2 47 401 11 LEU N N 121.66 0.10 1 48 402 12 GLY H H 9.17 0.00 1 49 402 12 GLY C C 171.40 0.01 1 50 402 12 GLY CA C 46.60 0.01 1 51 402 12 GLY N N 112.26 0.10 1 52 403 13 ILE H H 8.34 0.00 1 53 403 13 ILE HG2 H 0.87 0.01 1 54 403 13 ILE HD1 H -0.24 0.01 1 55 403 13 ILE CA C 57.70 0.01 1 56 403 13 ILE CB C 42.30 0.10 1 57 403 13 ILE CG2 C 18.41 0.10 1 58 403 13 ILE CD1 C 13.45 0.10 1 59 403 13 ILE N N 111.96 0.10 1 60 404 14 GLU H H 7.36 0.00 1 61 404 14 GLU C C 178.10 0.01 1 62 404 14 GLU CA C 55.50 0.01 1 63 404 14 GLU CB C 32.40 0.10 1 64 404 14 GLU N N 118.36 0.10 1 65 405 15 THR H H 9.47 0.00 1 66 405 15 THR HG2 H 0.87 0.01 1 67 405 15 THR C C 174.50 0.01 1 68 405 15 THR CA C 60.50 0.01 1 69 405 15 THR CB C 70.60 0.10 1 70 405 15 THR CG2 C 20.81 0.10 1 71 405 15 THR N N 121.96 0.10 1 72 406 16 ALA H H 8.44 0.00 1 73 406 16 ALA HB H 1.23 0.10 1 74 406 16 ALA C C 177.20 0.01 1 75 406 16 ALA CA C 54.30 0.01 1 76 406 16 ALA CB C 19.94 0.10 1 77 406 16 ALA N N 120.66 0.10 1 78 407 17 GLY C C 175.10 0.01 1 79 407 17 GLY CA C 44.50 0.01 1 80 408 18 GLY H H 8.07 0.00 1 81 408 18 GLY C C 174.00 0.01 1 82 408 18 GLY CA C 45.60 0.01 1 83 408 18 GLY N N 109.76 0.10 1 84 409 19 VAL H H 7.21 0.00 1 85 409 19 VAL HG1 H 0.74 0.01 2 86 409 19 VAL HG2 H 0.71 0.01 2 87 409 19 VAL C C 174.80 0.01 1 88 409 19 VAL CA C 62.50 0.01 1 89 409 19 VAL CB C 34.10 0.10 1 90 409 19 VAL CG1 C 21.79 0.10 2 91 409 19 VAL CG2 C 20.65 0.10 2 92 409 19 VAL N N 123.66 0.10 1 93 410 20 MET H H 7.97 0.00 1 94 410 20 MET CA C 54.50 0.01 1 95 410 20 MET CB C 33.30 0.10 1 96 410 20 MET N N 124.96 0.10 1 97 411 21 THR HG2 H 1.20 0.01 1 98 411 21 THR C C 173.80 0.01 1 99 411 21 THR CA C 62.50 0.01 1 100 411 21 THR CB C 68.60 0.10 1 101 411 21 THR CG2 C 21.71 0.10 1 102 412 22 VAL H H 8.63 0.00 1 103 412 22 VAL HG1 H 0.82 0.01 2 104 412 22 VAL HG2 H 0.67 0.01 2 105 412 22 VAL C C 175.70 0.01 1 106 412 22 VAL CA C 65.00 0.01 1 107 412 22 VAL CB C 32.40 0.10 1 108 412 22 VAL CG1 C 23.82 0.10 2 109 412 22 VAL CG2 C 20.99 0.10 2 110 412 22 VAL N N 128.36 0.10 1 111 413 23 LEU H H 8.90 0.00 1 112 413 23 LEU HD1 H 0.88 0.01 2 113 413 23 LEU C C 176.30 0.01 1 114 413 23 LEU CA C 56.40 0.01 1 115 413 23 LEU CB C 43.50 0.10 1 116 413 23 LEU CD1 C 24.12 0.10 2 117 413 23 LEU N N 128.66 0.10 1 118 414 24 ILE H H 7.47 0.00 1 119 414 24 ILE HG2 H 0.85 0.01 1 120 414 24 ILE HD1 H 0.84 0.01 1 121 414 24 ILE C C 175.90 0.01 1 122 414 24 ILE CA C 59.60 0.01 1 123 414 24 ILE CB C 40.30 0.10 1 124 414 24 ILE CG2 C 17.65 0.10 1 125 414 24 ILE CD1 C 14.10 0.10 1 126 414 24 ILE N N 116.16 0.10 1 127 415 25 LYS C C 176.90 0.01 1 128 415 25 LYS CA C 57.20 0.01 1 129 415 25 LYS CB C 33.40 0.10 1 130 416 26 ARG H H 7.96 0.00 1 131 416 26 ARG C C 174.10 0.01 1 132 416 26 ARG CA C 57.40 0.01 1 133 416 26 ARG CB C 30.10 0.10 1 134 416 26 ARG N N 124.86 0.10 1 135 417 27 ASN H H 8.92 0.00 1 136 417 27 ASN C C 174.50 0.01 1 137 417 27 ASN CA C 54.40 0.01 1 138 417 27 ASN CB C 37.10 0.10 1 139 417 27 ASN N N 119.86 0.10 1 140 418 28 THR H H 7.89 0.00 1 141 418 28 THR HG2 H 1.31 0.01 1 142 418 28 THR C C 174.30 0.01 1 143 418 28 THR CA C 63.80 0.01 1 144 418 28 THR CB C 69.60 0.10 1 145 418 28 THR CG2 C 21.65 0.10 1 146 418 28 THR N N 118.16 0.10 1 147 419 29 THR H H 8.45 0.00 1 148 419 29 THR HG2 H 1.18 0.01 1 149 419 29 THR C C 173.10 0.01 1 150 419 29 THR CA C 63.80 0.01 1 151 419 29 THR CB C 69.70 0.10 1 152 419 29 THR CG2 C 22.10 0.10 1 153 419 29 THR N N 122.96 0.10 1 154 420 30 ILE H H 7.71 0.00 1 155 420 30 ILE HG2 H 0.70 0.01 1 156 420 30 ILE HD1 H 0.64 0.01 1 157 420 30 ILE C C 174.30 0.01 1 158 420 30 ILE CA C 58.30 0.01 1 159 420 30 ILE CB C 38.30 0.10 1 160 420 30 ILE CG2 C 18.81 0.10 1 161 420 30 ILE CD1 C 13.36 0.10 1 162 420 30 ILE N N 119.56 0.10 1 163 421 31 PRO C C 175.40 0.01 1 164 421 31 PRO CA C 62.40 0.01 1 165 421 31 PRO CB C 36.30 0.10 1 166 422 32 THR H H 8.48 0.00 1 167 422 32 THR HG2 H 0.93 0.01 1 168 422 32 THR C C 180.80 0.01 1 169 422 32 THR CA C 61.80 0.01 1 170 422 32 THR CB C 68.70 0.10 1 171 422 32 THR CG2 C 18.97 0.10 1 172 422 32 THR N N 115.46 0.10 1 173 423 33 LYS H H 7.68 0.00 1 174 423 33 LYS C C 175.40 0.01 1 175 423 33 LYS CA C 55.30 0.01 1 176 423 33 LYS CB C 35.50 0.10 1 177 423 33 LYS N N 124.66 0.10 1 178 424 34 GLN H H 9.00 0.00 1 179 424 34 GLN C C 173.90 0.01 1 180 424 34 GLN CA C 54.80 0.01 1 181 424 34 GLN CB C 33.80 0.10 1 182 424 34 GLN N N 124.16 0.10 1 183 425 35 THR H H 8.51 0.00 1 184 425 35 THR HG2 H 1.03 0.01 1 185 425 35 THR C C 174.00 0.01 1 186 425 35 THR CA C 61.30 0.01 1 187 425 35 THR CB C 72.10 0.10 1 188 425 35 THR CG2 C 21.40 0.10 1 189 425 35 THR N N 120.56 0.10 1 190 426 36 GLN H H 9.04 0.00 1 191 426 36 GLN C C 173.10 0.01 1 192 426 36 GLN CA C 55.40 0.01 1 193 426 36 GLN CB C 35.00 0.10 1 194 426 36 GLN N N 125.76 0.10 1 195 427 37 THR H H 8.19 0.00 1 196 427 37 THR HG2 H 1.09 0.01 1 197 427 37 THR C C 172.20 0.01 1 198 427 37 THR CA C 62.70 0.01 1 199 427 37 THR CB C 69.30 0.10 1 200 427 37 THR CG2 C 22.18 0.10 1 201 427 37 THR N N 120.56 0.10 1 202 428 38 PHE H H 9.44 0.00 1 203 428 38 PHE C C 172.70 0.01 1 204 428 38 PHE CA C 57.30 0.01 1 205 428 38 PHE CB C 43.20 0.10 1 206 428 38 PHE N N 125.96 0.10 1 207 429 39 THR H H 9.04 0.00 1 208 429 39 THR HG2 H 1.12 0.01 1 209 429 39 THR C C 174.20 0.01 1 210 429 39 THR CA C 59.10 0.01 1 211 429 39 THR CB C 70.20 0.10 1 212 429 39 THR CG2 C 17.94 0.10 1 213 429 39 THR N N 114.26 0.10 1 214 430 40 THR H H 8.71 0.00 1 215 430 40 THR HG2 H 0.99 0.01 1 216 430 40 THR CA C 60.40 0.01 1 217 430 40 THR CB C 69.20 0.10 1 218 430 40 THR CG2 C 23.34 0.10 1 219 430 40 THR N N 110.26 0.10 1 220 431 41 TYR C C 174.90 0.01 1 221 431 41 TYR CA C 59.10 0.01 1 222 432 42 SER H H 8.36 0.00 1 223 432 42 SER C C 173.10 0.01 1 224 432 42 SER CA C 56.60 0.01 1 225 432 42 SER CB C 65.50 0.10 1 226 432 42 SER N N 113.56 0.10 1 227 433 43 ASP C C 176.70 0.01 1 228 433 43 ASP CA C 55.40 0.01 1 229 433 43 ASP CB C 40.70 0.10 1 230 434 44 ASN H H 8.99 0.00 1 231 434 44 ASN C C 174.00 0.01 1 232 434 44 ASN CA C 55.00 0.01 1 233 434 44 ASN CB C 36.40 0.10 1 234 434 44 ASN N N 116.16 0.10 1 235 435 45 GLN H H 7.50 0.00 1 236 435 45 GLN C C 176.50 0.01 1 237 435 45 GLN CA C 54.90 0.01 1 238 435 45 GLN CB C 30.00 0.10 1 239 435 45 GLN N N 124.06 0.10 1 240 436 46 PRO C C 175.90 0.01 1 241 436 46 PRO CA C 64.00 0.01 1 242 436 46 PRO CB C 32.30 0.10 1 243 437 47 GLY H H 7.05 0.00 1 244 437 47 GLY C C 172.50 0.01 1 245 437 47 GLY CA C 45.80 0.01 1 246 437 47 GLY N N 107.06 0.10 1 247 438 48 VAL H H 8.57 0.00 1 248 438 48 VAL HG1 H 0.53 0.01 2 249 438 48 VAL HG2 H 0.67 0.01 2 250 438 48 VAL C C 172.80 0.01 1 251 438 48 VAL CA C 58.90 0.01 1 252 438 48 VAL CB C 35.00 0.10 1 253 438 48 VAL CG1 C 22.46 0.10 2 254 438 48 VAL CG2 C 19.33 0.10 2 255 438 48 VAL N N 110.26 0.10 1 256 439 49 LEU H H 9.10 0.00 1 257 439 49 LEU HD1 H 0.57 0.01 2 258 439 49 LEU C C 174.80 0.01 1 259 439 49 LEU CA C 53.60 0.01 1 260 439 49 LEU CB C 42.40 0.10 1 261 439 49 LEU CD1 C 25.76 0.10 2 262 439 49 LEU N N 125.86 0.10 1 263 440 50 ILE H H 8.87 0.00 1 264 440 50 ILE HG2 H 0.34 0.01 1 265 440 50 ILE HD1 H 0.17 0.01 1 266 440 50 ILE CA C 62.70 0.01 1 267 440 50 ILE CB C 33.20 0.10 1 268 440 50 ILE CG2 C 17.47 0.10 1 269 440 50 ILE CD1 C 8.94 0.10 1 270 440 50 ILE N N 130.36 0.10 1 271 441 51 GLN H H 8.02 0.00 1 272 441 51 GLN C C 178.80 0.01 1 273 441 51 GLN CA C 59.60 0.01 1 274 441 51 GLN N N 118.36 0.10 1 275 442 52 VAL H H 8.61 0.00 1 276 442 52 VAL C C 179.20 0.01 1 277 442 52 VAL CA C 60.10 0.01 1 278 442 52 VAL CB C 28.90 0.10 1 279 442 52 VAL N N 118.76 0.10 1 280 443 53 TYR H H 7.87 0.00 1 281 443 53 TYR C C 178.60 0.01 1 282 443 53 TYR CA C 57.50 0.01 1 283 443 53 TYR CB C 41.20 0.10 1 284 443 53 TYR N N 121.86 0.10 1 285 444 54 GLU C C 175.90 0.01 1 286 444 54 GLU CA C 53.10 0.01 1 287 445 55 GLY H H 8.84 0.00 1 288 445 55 GLY C C 172.80 0.01 1 289 445 55 GLY CA C 44.00 0.01 1 290 445 55 GLY N N 114.16 0.10 1 291 446 56 GLU H H 8.29 0.00 1 292 446 56 GLU C C 178.30 0.01 1 293 446 56 GLU CA C 54.50 0.01 1 294 446 56 GLU CB C 29.80 0.10 1 295 446 56 GLU N N 111.56 0.10 1 296 447 57 ARG H H 8.38 0.00 1 297 447 57 ARG C C 177.60 0.01 1 298 447 57 ARG CA C 54.80 0.01 1 299 447 57 ARG CB C 28.90 0.10 1 300 447 57 ARG N N 119.76 0.10 1 301 448 58 ALA HB H 1.37 0.01 1 302 448 58 ALA C C 177.60 0.01 1 303 448 58 ALA CA C 54.50 0.01 1 304 448 58 ALA CB C 19.40 0.10 1 305 449 59 MET H H 7.97 0.00 1 306 449 59 MET HE H 2.01 0.01 1 307 449 59 MET C C 177.30 0.01 1 308 449 59 MET CA C 52.40 0.01 1 309 449 59 MET CB C 32.00 0.10 1 310 449 59 MET CE C 16.61 0.10 1 311 449 59 MET N N 115.16 0.10 1 312 450 60 THR H H 8.00 0.00 1 313 450 60 THR HG2 H 0.34 0.01 1 314 450 60 THR C C 176.90 0.01 1 315 450 60 THR CA C 66.20 0.01 1 316 450 60 THR CG2 C 23.73 0.10 1 317 450 60 THR N N 114.46 0.10 1 318 451 61 LYS H H 8.21 0.00 1 319 451 61 LYS C C 176.20 0.01 1 320 451 61 LYS CA C 58.10 0.01 1 321 451 61 LYS CB C 30.90 0.10 1 322 451 61 LYS N N 118.96 0.10 1 323 452 62 ASP H H 7.14 0.00 1 324 452 62 ASP C C 174.90 0.01 1 325 452 62 ASP CA C 54.40 0.01 1 326 452 62 ASP CB C 42.40 0.10 1 327 452 62 ASP N N 117.66 0.10 1 328 453 63 ASN H H 7.72 0.00 1 329 453 63 ASN C C 172.80 0.01 1 330 453 63 ASN CA C 51.60 0.01 1 331 453 63 ASN CB C 40.60 0.10 1 332 453 63 ASN N N 120.46 0.10 1 333 454 64 ASN H H 8.48 0.00 1 334 454 64 ASN C C 174.00 0.01 1 335 454 64 ASN CA C 52.60 0.01 1 336 454 64 ASN CB C 40.60 0.10 1 337 454 64 ASN N N 116.46 0.10 1 338 455 65 LEU H H 8.63 0.00 1 339 455 65 LEU HD1 H 0.64 0.01 2 340 455 65 LEU HD2 H 0.22 0.01 2 341 455 65 LEU C C 176.20 0.01 1 342 455 65 LEU CA C 55.50 0.01 1 343 455 65 LEU CB C 40.70 0.10 1 344 455 65 LEU CD1 C 26.44 0.10 2 345 455 65 LEU CD2 C 22.11 0.10 2 346 455 65 LEU N N 129.56 0.10 1 347 456 66 LEU H H 9.23 0.00 1 348 456 66 LEU HD1 H 0.60 0.01 2 349 456 66 LEU C C 177.60 0.01 1 350 456 66 LEU CA C 54.80 0.01 1 351 456 66 LEU CB C 43.80 0.10 1 352 456 66 LEU CD1 C 21.71 0.10 2 353 456 66 LEU N N 126.76 0.10 1 354 457 67 GLY H H 7.06 0.00 1 355 457 67 GLY C C 180.50 0.01 1 356 457 67 GLY CA C 45.20 0.01 1 357 457 67 GLY N N 104.06 0.10 1 358 458 68 LYS H H 8.43 0.00 1 359 458 68 LYS C C 174.00 0.01 1 360 458 68 LYS CA C 54.60 0.01 1 361 458 68 LYS CB C 37.00 0.10 1 362 458 68 LYS N N 116.66 0.10 1 363 459 69 PHE H H 8.58 0.00 1 364 459 69 PHE C C 171.40 0.01 1 365 459 69 PHE CA C 56.70 0.01 1 366 459 69 PHE CB C 39.70 0.10 1 367 459 69 PHE N N 115.46 0.10 1 368 460 70 GLU H H 8.85 0.00 1 369 460 70 GLU C C 175.70 0.01 1 370 460 70 GLU CA C 54.30 0.01 1 371 460 70 GLU CB C 33.50 0.10 1 372 460 70 GLU N N 119.66 0.10 1 373 461 71 LEU H H 8.53 0.00 1 374 461 71 LEU HD1 H 0.81 0.01 2 375 461 71 LEU C C 175.20 0.01 1 376 461 71 LEU CA C 54.30 0.01 1 377 461 71 LEU CB C 44.60 0.10 1 378 461 71 LEU CD1 C 23.43 0.10 2 379 461 71 LEU N N 126.26 0.10 1 380 462 72 THR H H 8.27 0.00 1 381 462 72 THR HG2 H 1.05 0.01 1 382 462 72 THR C C 173.80 0.01 1 383 462 72 THR CA C 60.20 0.01 1 384 462 72 THR CB C 70.60 0.10 1 385 462 72 THR CG2 C 21.26 0.10 1 386 462 72 THR N N 117.36 0.10 1 387 463 73 GLY H H 8.14 0.00 1 388 463 73 GLY C C 175.60 0.01 1 389 463 73 GLY CA C 46.00 0.01 1 390 463 73 GLY N N 107.86 0.10 1 391 464 74 ILE H H 8.10 0.00 1 392 464 74 ILE HG2 H 0.82 0.01 1 393 464 74 ILE HD1 H 0.48 0.01 1 394 464 74 ILE C C 174.70 0.01 1 395 464 74 ILE CA C 59.60 0.01 1 396 464 74 ILE CB C 37.80 0.10 1 397 464 74 ILE CG2 C 16.03 0.10 1 398 464 74 ILE CD1 C 13.27 0.10 1 399 464 74 ILE N N 124.26 0.10 1 400 466 76 PRO C C 175.80 0.01 1 401 466 76 PRO CA C 64.40 0.01 1 402 466 76 PRO CB C 31.50 0.10 1 403 467 77 ALA H H 7.82 0.00 1 404 467 77 ALA HB H 1.23 0.01 1 405 467 77 ALA C C 174.00 0.01 1 406 467 77 ALA CA C 50.50 0.01 1 407 467 77 ALA CB C 19.50 0.10 1 408 467 77 ALA N N 127.56 0.10 1 409 468 78 PRO C C 175.00 0.01 1 410 468 78 PRO CA C 62.70 0.01 1 411 468 78 PRO CB C 32.00 0.10 1 412 469 79 ARG H H 9.14 0.00 1 413 469 79 ARG C C 176.20 0.01 1 414 469 79 ARG CA C 55.80 0.01 1 415 469 79 ARG CB C 29.20 0.10 1 416 469 79 ARG N N 121.46 0.10 1 417 470 80 GLY H H 7.12 0.00 1 418 470 80 GLY C C 174.90 0.01 1 419 470 80 GLY CA C 46.50 0.01 1 420 470 80 GLY N N 109.66 0.10 1 421 471 81 VAL H H 7.43 0.00 1 422 471 81 VAL HG1 H 0.77 0.01 2 423 471 81 VAL HG2 H 0.83 0.01 2 424 471 81 VAL C C 174.30 0.01 1 425 471 81 VAL CA C 65.80 0.01 1 426 471 81 VAL CB C 29.90 0.10 1 427 471 81 VAL CG1 C 23.32 0.10 2 428 471 81 VAL CG2 C 20.58 0.10 2 429 471 81 VAL N N 119.06 0.10 1 430 472 82 PRO C C 175.90 0.01 1 431 472 82 PRO CA C 64.60 0.01 1 432 472 82 PRO CB C 32.10 0.10 1 433 473 83 GLN H H 9.06 0.00 1 434 473 83 GLN C C 173.10 0.01 1 435 473 83 GLN CA C 54.70 0.01 1 436 473 83 GLN CB C 30.80 0.10 1 437 473 83 GLN N N 123.16 0.10 1 438 474 84 ILE H H 8.99 0.00 1 439 474 84 ILE HG2 H 0.58 0.01 1 440 474 84 ILE HD1 H 0.63 0.01 1 441 474 84 ILE C C 175.60 0.01 1 442 474 84 ILE CA C 58.40 0.01 1 443 474 84 ILE CB C 38.70 0.10 1 444 474 84 ILE CG2 C 17.95 0.10 1 445 474 84 ILE CD1 C 12.65 0.10 1 446 474 84 ILE N N 125.06 0.10 1 447 475 85 GLU H H 9.27 0.00 1 448 475 85 GLU C C 176.60 0.01 1 449 475 85 GLU CA C 56.30 0.01 1 450 475 85 GLU CB C 31.70 0.10 1 451 475 85 GLU N N 129.16 0.10 1 452 476 86 VAL H H 9.46 0.00 1 453 476 86 VAL HG1 H 0.94 0.01 2 454 476 86 VAL HG2 H 1.06 0.01 2 455 476 86 VAL C C 174.20 0.01 1 456 476 86 VAL CA C 61.50 0.01 1 457 476 86 VAL CB C 33.80 0.10 1 458 476 86 VAL CG1 C 21.96 0.10 2 459 476 86 VAL CG2 C 20.70 0.10 2 460 476 86 VAL N N 131.36 0.10 1 461 477 87 THR H H 9.12 0.00 1 462 477 87 THR HG2 H 1.04 0.01 1 463 477 87 THR C C 173.80 0.01 1 464 477 87 THR CA C 61.70 0.01 1 465 477 87 THR CB C 71.30 0.10 1 466 477 87 THR CG2 C 21.23 0.10 1 467 477 87 THR N N 123.26 0.10 1 468 478 88 PHE H H 9.46 0.00 1 469 478 88 PHE C C 172.70 0.01 1 470 478 88 PHE CA C 55.70 0.01 1 471 478 88 PHE CB C 40.50 0.10 1 472 478 88 PHE N N 128.86 0.10 1 473 479 89 ASP H H 8.77 0.00 1 474 479 89 ASP C C 174.60 0.01 1 475 479 89 ASP CA C 53.20 0.01 1 476 479 89 ASP CB C 44.90 0.10 1 477 479 89 ASP N N 124.76 0.10 1 478 480 90 ILE H H 9.19 0.00 1 479 480 90 ILE HG2 H 0.92 0.01 1 480 480 90 ILE HD1 H 0.71 0.01 1 481 480 90 ILE C C 176.30 0.01 1 482 480 90 ILE CA C 60.20 0.01 1 483 480 90 ILE CB C 40.30 0.10 1 484 480 90 ILE CG2 C 17.59 0.10 1 485 480 90 ILE CD1 C 14.67 0.10 1 486 480 90 ILE N N 126.16 0.10 1 487 481 91 ASP H H 8.13 0.00 1 488 481 91 ASP C C 177.10 0.01 1 489 481 91 ASP CA C 52.90 0.01 1 490 481 91 ASP CB C 41.40 0.10 1 491 481 91 ASP N N 128.96 0.10 1 492 482 92 ALA H H 8.36 0.00 1 493 482 92 ALA HB H 1.28 0.01 1 494 482 92 ALA C C 177.90 0.01 1 495 482 92 ALA CA C 54.30 0.01 1 496 482 92 ALA CB C 18.30 0.10 1 497 482 92 ALA N N 117.36 0.10 1 498 483 93 ASN H H 8.09 0.00 1 499 483 93 ASN C C 175.40 0.01 1 500 483 93 ASN CA C 52.80 0.01 1 501 483 93 ASN CB C 39.60 0.10 1 502 483 93 ASN N N 114.26 0.10 1 503 484 94 GLY H H 8.07 0.00 1 504 484 94 GLY C C 173.90 0.01 1 505 484 94 GLY CA C 45.60 0.01 1 506 484 94 GLY N N 109.16 0.10 1 507 485 95 ILE H H 8.23 0.00 1 508 485 95 ILE HG2 H 0.55 0.01 1 509 485 95 ILE HD1 H 0.71 0.01 1 510 485 95 ILE C C 174.70 0.01 1 511 485 95 ILE CA C 62.00 0.01 1 512 485 95 ILE CB C 36.00 0.10 1 513 485 95 ILE CG2 C 17.63 0.10 1 514 485 95 ILE CD1 C 11.39 0.10 1 515 485 95 ILE N N 124.16 0.10 1 516 486 96 LEU H H 7.99 0.00 1 517 486 96 LEU HD1 H 0.49 0.01 2 518 486 96 LEU C C 173.50 0.01 1 519 486 96 LEU CA C 53.50 0.01 1 520 486 96 LEU CB C 43.50 0.10 1 521 486 96 LEU CD1 C 26.22 0.10 2 522 486 96 LEU N N 130.66 0.10 1 523 487 97 ASN H H 9.44 0.00 1 524 487 97 ASN C C 174.70 0.01 1 525 487 97 ASN CA C 52.50 0.01 1 526 487 97 ASN CB C 42.10 0.10 1 527 487 97 ASN N N 127.06 0.10 1 528 488 98 VAL H H 8.64 0.00 1 529 488 98 VAL HG1 H 0.70 0.01 2 530 488 98 VAL HG2 H -0.09 0.01 2 531 488 98 VAL C C 173.60 0.01 1 532 488 98 VAL CA C 60.60 0.01 1 533 488 98 VAL CB C 33.20 0.10 1 534 488 98 VAL CG1 C 21.37 0.10 2 535 488 98 VAL CG2 C 18.78 0.10 2 536 488 98 VAL N N 125.56 0.10 1 537 489 99 SER H H 8.90 0.00 1 538 489 99 SER C C 172.90 0.01 1 539 489 99 SER CA C 55.80 0.01 1 540 489 99 SER CB C 66.40 0.10 1 541 489 99 SER N N 119.36 0.10 1 542 490 100 ALA H H 8.93 0.00 1 543 490 100 ALA HB H 1.20 0.01 1 544 490 100 ALA C C 174.60 0.01 1 545 490 100 ALA CA C 50.40 0.01 1 546 490 100 ALA CB C 22.64 0.10 1 547 490 100 ALA N N 123.46 0.10 1 548 491 101 VAL H H 8.60 0.00 1 549 491 101 VAL HG1 H 0.80 0.01 2 550 491 101 VAL HG2 H 0.73 0.01 2 551 491 101 VAL C C 175.10 0.01 1 552 491 101 VAL CA C 59.40 0.01 1 553 491 101 VAL CB C 36.20 0.10 1 554 491 101 VAL CG1 C 21.27 0.10 2 555 491 101 VAL CG2 C 20.10 0.10 2 556 491 101 VAL N N 120.16 0.10 1 557 492 102 ASP H H 8.58 0.00 1 558 492 102 ASP C C 177.30 0.01 1 559 492 102 ASP CA C 53.10 0.01 1 560 492 102 ASP CB C 41.90 0.10 1 561 492 102 ASP N N 126.96 0.10 1 562 493 103 LYS H H 8.70 0.00 1 563 493 103 LYS C C 178.40 0.01 1 564 493 103 LYS CA C 58.20 0.01 1 565 493 103 LYS CB C 31.30 0.10 1 566 493 103 LYS N N 126.46 0.10 1 567 494 104 SER H H 8.87 0.00 1 568 494 104 SER C C 175.90 0.01 1 569 494 104 SER CA C 61.00 0.01 1 570 494 104 SER CB C 62.70 0.10 1 571 494 104 SER N N 114.36 0.10 1 572 495 105 THR H H 7.39 0.00 1 573 495 105 THR HG2 H 1.17 0.01 1 574 495 105 THR C C 176.70 0.01 1 575 495 105 THR CA C 62.00 0.01 1 576 495 105 THR CB C 71.50 0.10 1 577 495 105 THR CG2 C 21.12 0.10 1 578 495 105 THR N N 109.36 0.10 1 579 496 106 GLY H H 8.78 0.00 1 580 496 106 GLY C C 174.10 0.01 1 581 496 106 GLY CA C 45.40 0.01 1 582 496 106 GLY N N 112.96 0.10 1 583 497 107 LYS H H 7.99 0.00 1 584 497 107 LYS C C 174.40 0.01 1 585 497 107 LYS CA C 57.80 0.01 1 586 497 107 LYS CB C 32.50 0.10 1 587 497 107 LYS N N 123.26 0.10 1 588 498 108 GLU H H 8.13 0.00 1 589 498 108 GLU C C 176.20 0.01 1 590 498 108 GLU CA C 54.00 0.01 1 591 498 108 GLU CB C 35.10 0.10 1 592 498 108 GLU N N 121.36 0.10 1 593 499 109 ASN H H 8.67 0.00 1 594 499 109 ASN C C 171.80 0.01 1 595 499 109 ASN CA C 51.60 0.01 1 596 499 109 ASN CB C 41.20 0.10 1 597 499 109 ASN N N 119.16 0.10 1 598 500 110 LYS H H 7.84 0.00 1 599 500 110 LYS C C 174.00 0.01 1 600 500 110 LYS CA C 54.90 0.01 1 601 500 110 LYS CB C 35.60 0.10 1 602 500 110 LYS N N 119.36 0.10 1 603 501 111 ILE H H 8.30 0.00 1 604 501 111 ILE HG2 H 0.54 0.01 1 605 501 111 ILE HD1 H 0.65 0.01 1 606 501 111 ILE C C 172.70 0.01 1 607 501 111 ILE CA C 60.30 0.01 1 608 501 111 ILE CB C 42.50 0.10 1 609 501 111 ILE CG2 C 16.92 0.10 1 610 501 111 ILE CD1 C 13.86 0.10 1 611 501 111 ILE N N 116.06 0.10 1 612 502 112 THR H H 8.16 0.00 1 613 502 112 THR HG2 H 0.91 0.01 1 614 502 112 THR C C 173.80 0.01 1 615 502 112 THR CA C 61.90 0.01 1 616 502 112 THR CB C 69.80 0.10 1 617 502 112 THR CG2 C 21.98 0.10 1 618 502 112 THR N N 121.16 0.10 1 619 503 113 ILE H H 9.52 0.00 1 620 503 113 ILE HG2 H 0.81 0.01 1 621 503 113 ILE HD1 H 0.75 0.01 1 622 503 113 ILE C C 175.10 0.01 1 623 503 113 ILE CA C 60.00 0.01 1 624 503 113 ILE CB C 39.00 0.10 1 625 503 113 ILE CG2 C 17.25 0.10 1 626 503 113 ILE CD1 C 12.53 0.10 1 627 503 113 ILE N N 130.46 0.10 1 628 504 114 THR H H 8.32 0.00 1 629 504 114 THR HG2 H 1.03 0.01 1 630 504 114 THR CA C 61.10 0.01 1 631 504 114 THR CG2 C 19.38 0.10 1 632 504 114 THR N N 120.26 0.10 1 633 506 116 ASP C C 176.60 0.01 1 634 506 116 ASP CA C 54.70 0.01 1 635 507 117 LYS H H 8.24 0.00 1 636 507 117 LYS CA C 57.20 0.01 1 637 507 117 LYS N N 121.66 0.10 1 638 508 118 GLY C C 174.50 0.01 1 639 508 118 GLY CA C 45.50 0.01 1 640 509 119 ARG H H 7.62 0.00 1 641 509 119 ARG C C 176.80 0.01 1 642 509 119 ARG CA C 56.80 0.01 1 643 509 119 ARG CB C 30.30 0.10 1 644 509 119 ARG N N 120.16 0.10 1 645 510 120 LEU H H 8.07 0.00 1 646 510 120 LEU HD1 H 0.76 0.01 2 647 510 120 LEU C C 176.70 0.01 1 648 510 120 LEU CA C 54.10 0.01 1 649 510 120 LEU CB C 44.00 0.10 1 650 510 120 LEU CD1 C 22.94 0.10 2 651 510 120 LEU N N 120.86 0.10 1 652 511 121 SER H H 9.06 0.00 1 653 511 121 SER C C 174.90 0.01 1 654 511 121 SER CA C 56.80 0.01 1 655 511 121 SER CB C 65.10 0.10 1 656 511 121 SER N N 119.26 0.10 1 657 512 122 LYS CA C 59.00 0.01 1 658 513 123 GLU H H 8.53 0.00 1 659 513 123 GLU C C 178.40 0.01 1 660 513 123 GLU CA C 59.20 0.01 1 661 513 123 GLU CB C 29.40 0.10 1 662 513 123 GLU N N 119.26 0.10 1 663 514 124 ASP H H 7.92 0.00 1 664 514 124 ASP C C 178.20 0.01 1 665 514 124 ASP CA C 56.70 0.01 1 666 514 124 ASP CB C 41.10 0.10 1 667 514 124 ASP N N 121.46 0.10 1 668 515 125 ILE H H 7.97 0.00 1 669 515 125 ILE HG2 H 0.80 0.01 1 670 515 125 ILE HD1 H 0.73 0.01 1 671 515 125 ILE C C 177.80 0.01 1 672 515 125 ILE CA C 64.30 0.01 1 673 515 125 ILE CB C 38.10 0.10 1 674 515 125 ILE CG2 C 17.44 0.10 1 675 515 125 ILE CD1 C 12.93 0.10 1 676 515 125 ILE N N 121.36 0.10 1 677 516 126 GLU H H 8.08 0.00 1 678 516 126 GLU C C 178.60 0.01 1 679 516 126 GLU CA C 58.90 0.01 1 680 516 126 GLU CB C 29.50 0.10 1 681 516 126 GLU N N 120.26 0.10 1 682 517 127 ARG H H 7.81 0.00 1 683 517 127 ARG C C 177.90 0.01 1 684 517 127 ARG CA C 58.30 0.01 1 685 517 127 ARG CB C 30.30 0.10 1 686 517 127 ARG N N 119.66 0.10 1 687 518 128 MET H H 7.41 0.00 1 688 518 128 MET CA C 58.90 0.01 1 689 518 128 MET CB C 32.50 0.10 1 690 518 128 MET N N 122.56 0.10 1 691 519 129 VAL CA C 67.10 0.01 1 692 520 130 GLN H H 8.19 0.00 1 693 520 130 GLN C C 179.40 0.01 1 694 520 130 GLN CA C 58.90 0.01 1 695 520 130 GLN CB C 28.40 0.10 1 696 520 130 GLN N N 119.76 0.10 1 697 521 131 GLU H H 8.45 0.00 1 698 521 131 GLU C C 178.00 0.01 1 699 521 131 GLU CA C 59.30 0.01 1 700 521 131 GLU CB C 29.90 0.10 1 701 521 131 GLU N N 120.46 0.10 1 702 522 132 ALA H H 7.62 0.00 1 703 522 132 ALA HB H 1.36 0.01 1 704 522 132 ALA C C 179.90 0.01 1 705 522 132 ALA CA C 54.90 0.01 1 706 522 132 ALA CB C 18.32 0.10 1 707 522 132 ALA N N 120.16 0.10 1 708 523 133 GLU H H 7.70 0.00 1 709 523 133 GLU C C 178.60 0.01 1 710 523 133 GLU CA C 58.70 0.01 1 711 523 133 GLU N N 117.76 0.10 1 712 524 134 LYS H H 7.73 0.00 1 713 524 134 LYS C C 178.00 0.01 1 714 524 134 LYS CA C 58.50 0.01 1 715 524 134 LYS CB C 32.40 0.10 1 716 524 134 LYS N N 120.36 0.10 1 717 525 135 TYR H H 7.60 0.00 1 718 525 135 TYR CA C 58.40 0.01 1 719 525 135 TYR CB C 37.90 0.10 1 720 525 135 TYR N N 116.96 0.10 1 721 526 136 LYS CA C 58.00 0.01 1 722 527 137 ALA H H 7.90 0.00 1 723 527 137 ALA HB H 1.40 0.01 1 724 527 137 ALA C C 179.10 0.01 1 725 527 137 ALA CA C 53.80 0.01 1 726 527 137 ALA CB C 18.68 0.10 1 727 527 137 ALA N N 122.56 0.10 1 728 528 138 GLU H H 8.00 0.00 1 729 528 138 GLU C C 178.00 0.01 1 730 528 138 GLU CA C 57.60 0.01 1 731 528 138 GLU CB C 29.40 0.10 1 732 528 138 GLU N N 118.56 0.10 1 733 529 139 ASP H H 8.27 0.00 1 734 529 139 ASP C C 175.80 0.01 1 735 529 139 ASP CA C 58.00 0.01 1 736 529 139 ASP N N 120.76 0.10 1 737 530 140 GLU H H 7.79 0.00 1 738 530 140 GLU C C 176.10 0.01 1 739 530 140 GLU CA C 56.40 0.01 1 740 530 140 GLU CB C 33.20 0.10 1 741 530 140 GLU N N 123.06 0.10 1 742 537 147 GLY C C 177.20 0.01 1 743 538 148 LYS H H 8.82 0.00 1 744 538 148 LYS C C 178.60 0.01 1 745 538 148 LYS CA C 57.30 0.01 1 746 538 148 LYS N N 118.56 0.10 1 747 539 149 VAL H H 8.00 0.00 1 748 539 149 VAL HG1 H 0.76 0.01 2 749 539 149 VAL HG2 H 0.72 0.01 2 750 539 149 VAL C C 176.60 0.01 1 751 539 149 VAL CA C 65.60 0.01 1 752 539 149 VAL CG1 C 24.45 0.10 2 753 539 149 VAL CG2 C 22.85 0.10 2 754 539 149 VAL N N 121.56 0.10 1 755 540 150 GLN H H 8.50 0.00 1 756 540 150 GLN C C 175.10 0.01 1 757 540 150 GLN CA C 52.80 0.01 1 758 540 150 GLN N N 123.16 0.10 1 759 541 151 ILE H H 8.91 0.00 1 760 541 151 ILE HG2 H 0.83 0.01 1 761 541 151 ILE HD1 H 0.89 0.01 1 762 541 151 ILE C C 176.50 0.01 1 763 541 151 ILE CA C 61.90 0.01 1 764 541 151 ILE CB C 39.60 0.10 1 765 541 151 ILE CG2 C 17.65 0.10 1 766 541 151 ILE CD1 C 13.81 0.10 1 767 541 151 ILE N N 125.66 0.10 1 768 542 152 ILE H H 8.58 0.00 1 769 542 152 ILE HD1 H 0.73 0.01 1 770 542 152 ILE CA C 62.00 0.01 1 771 542 152 ILE CB C 38.80 0.10 1 772 542 152 ILE CD1 C 13.46 0.10 1 773 542 152 ILE N N 125.96 0.10 1 774 543 153 ASN C C 175.70 0.01 1 775 544 154 LYS H H 8.39 0.00 1 776 544 154 LYS CA C 54.40 0.01 1 777 544 154 LYS N N 126.06 0.10 1 778 545 155 LYS C C 174.10 0.01 1 779 545 155 LYS CA C 62.20 0.01 1 780 545 155 LYS CB C 32.20 0.10 1 781 546 156 LEU H H 9.06 0.00 1 782 546 156 LEU CA C 57.30 0.01 1 783 546 156 LEU CB C 46.10 0.10 1 784 546 156 LEU N N 127.56 0.10 1 stop_ save_