data_25657 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Proteasome protein fragment ; _BMRB_accession_number 25657 _BMRB_flat_file_name bmr25657.str _Entry_type original _Submission_date 2015-06-10 _Accession_date 2015-06-10 _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 Chen Xiang . . 2 Vannoy Jacob . . 3 Walters Kylie J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 477 "13C chemical shifts" 304 "15N chemical shifts" 63 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-22 original BMRB . stop_ _Original_release_date 2016-02-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structures of Rpn1:ubiquitin and Rpn1:K48 diubiquitin define Rpn1 as a novel proteasome ubiquitin receptor. ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Xiang . . 2 Shi Yanhong . . 3 Shi Yuan . . 4 Elsasser Suzanne . . 5 Vannoy Jacob . . 6 Finley Daniel . . 7 Tarasov Sergey G. . 8 Walters Kylie J. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Proteasome protein fragment' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common protein _Molecular_mass 13636.695 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; DTKISSAAILGLGIAFAGSK NDEVLGLLLPIAASTDLPIE TAAMASLALAHVFVGTCNGD ITTSIMDNFLERTAIELKTD WVRFLALALGILYMGQGEQV DDVLETISAIEHPMTSAIEV LVGSCAYTGTG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 482 ASP 2 483 THR 3 484 LYS 4 485 ILE 5 486 SER 6 487 SER 7 488 ALA 8 489 ALA 9 490 ILE 10 491 LEU 11 492 GLY 12 493 LEU 13 494 GLY 14 495 ILE 15 496 ALA 16 497 PHE 17 498 ALA 18 499 GLY 19 500 SER 20 501 LYS 21 502 ASN 22 503 ASP 23 504 GLU 24 505 VAL 25 506 LEU 26 507 GLY 27 508 LEU 28 509 LEU 29 510 LEU 30 511 PRO 31 512 ILE 32 513 ALA 33 514 ALA 34 515 SER 35 516 THR 36 517 ASP 37 518 LEU 38 519 PRO 39 520 ILE 40 521 GLU 41 522 THR 42 523 ALA 43 524 ALA 44 525 MET 45 526 ALA 46 527 SER 47 528 LEU 48 529 ALA 49 530 LEU 50 531 ALA 51 532 HIS 52 533 VAL 53 534 PHE 54 535 VAL 55 536 GLY 56 537 THR 57 538 CYS 58 539 ASN 59 540 GLY 60 541 ASP 61 542 ILE 62 543 THR 63 544 THR 64 545 SER 65 546 ILE 66 547 MET 67 548 ASP 68 549 ASN 69 550 PHE 70 551 LEU 71 552 GLU 72 553 ARG 73 554 THR 74 555 ALA 75 556 ILE 76 557 GLU 77 558 LEU 78 559 LYS 79 560 THR 80 561 ASP 81 562 TRP 82 563 VAL 83 564 ARG 84 565 PHE 85 566 LEU 86 567 ALA 87 568 LEU 88 569 ALA 89 570 LEU 90 571 GLY 91 572 ILE 92 573 LEU 93 574 TYR 94 575 MET 95 576 GLY 96 577 GLN 97 578 GLY 98 579 GLU 99 580 GLN 100 581 VAL 101 582 ASP 102 583 ASP 103 584 VAL 104 585 LEU 105 586 GLU 106 587 THR 107 588 ILE 108 589 SER 109 590 ALA 110 591 ILE 111 592 GLU 112 593 HIS 113 594 PRO 114 595 MET 115 596 THR 116 597 SER 117 598 ALA 118 599 ILE 119 600 GLU 120 601 VAL 121 602 LEU 122 603 VAL 123 604 GLY 124 605 SER 125 606 CYS 126 607 ALA 127 608 TYR 128 609 THR 129 610 GLY 130 611 THR 131 612 GLY 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 $protein "baker's yeast" 4932 Eukaryota Fungi Saccharomyces cerevisiae 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 $protein 'recombinant technology' . Escherichia coli . Pgex4t1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $protein 0.7 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' HEPES 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $protein 0.7 mM '[U-100% 15N]' HEPES 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $protein 0.7 mM '[U-100% 13C]' HEPES 50 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' DTT 2 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'sodium azide' 0.1 % 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.7 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCACB' '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 1 488 7 ALA HA H 3.926 0.000 1 2 488 7 ALA HB H 1.250 0.000 1 3 488 7 ALA CA C 54.682 0.000 1 4 488 7 ALA CB C 18.652 0.000 1 5 489 8 ALA HA H 3.910 0.000 1 6 489 8 ALA HB H 1.375 0.000 1 7 489 8 ALA CA C 54.563 0.000 1 8 489 8 ALA CB C 18.733 0.000 1 9 490 9 ILE HA H 4.120 0.000 1 10 490 9 ILE HB H 1.764 0.000 1 11 490 9 ILE HG12 H 0.820 0.000 2 12 490 9 ILE HG13 H 0.820 0.000 2 13 490 9 ILE HG2 H 0.803 0.000 1 14 490 9 ILE HD1 H 0.740 0.000 1 15 490 9 ILE CA C 61.752 0.000 1 16 490 9 ILE CB C 38.584 0.000 1 17 490 9 ILE CG1 C 27.085 0.000 1 18 490 9 ILE CG2 C 17.429 0.000 1 19 490 9 ILE CD1 C 13.286 0.000 1 20 493 12 LEU HA H 4.292 0.000 1 21 493 12 LEU HB2 H 1.448 0.000 2 22 493 12 LEU HB3 H 1.731 0.000 2 23 493 12 LEU HG H 0.792 0.000 1 24 493 12 LEU HD1 H 0.809 0.000 2 25 493 12 LEU HD2 H 0.781 0.000 2 26 493 12 LEU CA C 55.121 0.000 1 27 493 12 LEU CB C 42.180 0.000 1 28 493 12 LEU CG C 26.063 0.000 1 29 493 12 LEU CD1 C 24.813 0.000 1 30 493 12 LEU CD2 C 23.050 0.000 1 31 494 13 GLY HA2 H 3.674 0.000 2 32 494 13 GLY HA3 H 3.674 0.000 2 33 494 13 GLY CA C 47.527 0.000 1 34 496 15 ALA HA H 4.034 0.000 1 35 496 15 ALA HB H 1.378 0.000 1 36 496 15 ALA CA C 55.704 0.000 1 37 496 15 ALA CB C 19.830 0.000 1 38 497 16 PHE HA H 4.621 0.000 1 39 497 16 PHE HB2 H 2.907 0.000 2 40 497 16 PHE HB3 H 3.316 0.000 2 41 497 16 PHE HD1 H 7.502 0.000 3 42 497 16 PHE HD2 H 7.502 0.000 3 43 497 16 PHE HE1 H 7.108 0.000 3 44 497 16 PHE HE2 H 7.108 0.000 3 45 497 16 PHE CA C 57.493 0.000 1 46 497 16 PHE CB C 38.584 0.000 1 47 498 17 ALA HA H 3.821 0.000 1 48 498 17 ALA HB H 1.578 0.000 1 49 498 17 ALA CA C 54.735 0.000 1 50 498 17 ALA CB C 18.397 0.000 1 51 500 19 SER H H 8.124 0.000 1 52 500 19 SER HA H 4.200 0.000 1 53 500 19 SER HB2 H 3.934 0.000 2 54 500 19 SER HB3 H 4.136 0.000 2 55 500 19 SER CA C 60.559 0.000 1 56 500 19 SER CB C 65.159 0.000 1 57 500 19 SER N N 113.984 0.000 1 58 501 20 LYS H H 8.419 0.000 1 59 501 20 LYS HA H 4.276 0.000 1 60 501 20 LYS HB2 H 1.781 0.000 2 61 501 20 LYS HB3 H 1.713 0.000 2 62 501 20 LYS HG2 H 1.027 0.000 2 63 501 20 LYS HG3 H 1.027 0.000 2 64 501 20 LYS HD2 H 1.558 0.000 2 65 501 20 LYS HD3 H 1.684 0.000 2 66 501 20 LYS HE2 H 2.869 0.000 2 67 501 20 LYS HE3 H 2.869 0.000 2 68 501 20 LYS CA C 55.960 0.000 1 69 501 20 LYS CB C 32.962 0.000 1 70 501 20 LYS CG C 24.785 0.000 1 71 501 20 LYS CD C 28.874 0.001 1 72 501 20 LYS CE C 41.139 0.000 1 73 501 20 LYS N N 118.485 0.000 1 74 502 21 ASN H H 6.247 0.000 1 75 502 21 ASN HA H 4.275 0.000 1 76 502 21 ASN HB2 H 2.117 0.001 2 77 502 21 ASN HB3 H 2.872 0.000 2 78 502 21 ASN CA C 55.449 0.000 1 79 502 21 ASN CB C 39.861 0.000 1 80 502 21 ASN N N 115.874 0.000 1 81 503 22 ASP H H 8.734 0.000 1 82 503 22 ASP HA H 4.551 0.000 1 83 503 22 ASP HB2 H 2.636 0.000 2 84 503 22 ASP HB3 H 2.636 0.000 2 85 503 22 ASP CA C 56.982 0.000 1 86 503 22 ASP CB C 41.395 0.000 1 87 503 22 ASP N N 127.293 0.000 1 88 504 23 GLU H H 8.208 0.000 1 89 504 23 GLU HA H 4.094 0.000 1 90 504 23 GLU HB2 H 1.949 0.000 2 91 504 23 GLU HB3 H 2.179 0.000 2 92 504 23 GLU HG2 H 2.160 0.000 2 93 504 23 GLU HG3 H 2.248 0.000 2 94 504 23 GLU CA C 59.282 0.000 1 95 504 23 GLU CB C 28.618 0.000 1 96 504 23 GLU CG C 37.051 0.000 1 97 504 23 GLU N N 123.432 0.000 1 98 505 24 VAL H H 8.343 0.000 1 99 505 24 VAL HA H 3.284 0.000 1 100 505 24 VAL HB H 1.842 0.000 1 101 505 24 VAL HG1 H 0.765 0.000 2 102 505 24 VAL HG2 H 0.150 0.000 2 103 505 24 VAL CA C 66.547 0.000 1 104 505 24 VAL CB C 30.918 0.000 1 105 505 24 VAL CG1 C 22.294 0.000 1 106 505 24 VAL CG2 C 22.553 0.000 1 107 505 24 VAL N N 121.171 0.000 1 108 506 25 LEU H H 7.677 0.000 1 109 506 25 LEU HA H 3.956 0.000 1 110 506 25 LEU HB2 H 1.712 0.000 2 111 506 25 LEU HB3 H 2.148 0.000 2 112 506 25 LEU HG H 1.428 0.000 1 113 506 25 LEU HD1 H 0.415 0.000 2 114 506 25 LEU HD2 H 0.737 0.000 2 115 506 25 LEU CA C 58.667 0.000 1 116 506 25 LEU CB C 41.139 0.000 1 117 506 25 LEU CG C 26.318 0.000 1 118 506 25 LEU CD1 C 24.074 0.000 1 119 506 25 LEU CD2 C 25.443 0.000 1 120 506 25 LEU N N 120.468 0.000 1 121 507 26 GLY H H 7.864 0.000 1 122 507 26 GLY HA2 H 3.736 0.000 2 123 507 26 GLY HA3 H 4.182 0.000 2 124 507 26 GLY CA C 46.428 0.000 1 125 507 26 GLY N N 102.846 0.000 1 126 508 27 LEU H H 7.368 0.000 1 127 508 27 LEU HA H 4.209 0.000 1 128 508 27 LEU HB2 H 1.598 0.000 2 129 508 27 LEU HB3 H 1.645 0.000 2 130 508 27 LEU HG H 1.586 0.000 1 131 508 27 LEU HD1 H 0.874 0.000 2 132 508 27 LEU HD2 H 0.820 0.000 2 133 508 27 LEU CA C 56.471 0.000 1 134 508 27 LEU CB C 43.362 0.000 1 135 508 27 LEU CG C 26.829 0.000 1 136 508 27 LEU CD1 C 25.073 0.000 1 137 508 27 LEU CD2 C 23.676 0.000 1 138 508 27 LEU N N 119.101 0.000 1 139 509 28 LEU H H 8.043 0.000 1 140 509 28 LEU HA H 4.387 0.000 1 141 509 28 LEU HB2 H 1.544 0.000 2 142 509 28 LEU HB3 H 1.626 0.000 2 143 509 28 LEU HG H 1.585 0.000 1 144 509 28 LEU HD1 H 0.834 0.000 2 145 509 28 LEU HD2 H 0.782 0.000 2 146 509 28 LEU CA C 55.073 0.000 1 147 509 28 LEU CB C 42.111 0.000 1 148 509 28 LEU CG C 26.910 0.000 1 149 509 28 LEU CD1 C 24.999 0.000 1 150 509 28 LEU CD2 C 23.420 0.000 1 151 509 28 LEU N N 112.199 0.000 1 152 510 29 LEU H H 9.023 0.000 1 153 510 29 LEU HA H 3.986 0.000 1 154 510 29 LEU HB2 H 1.485 0.000 2 155 510 29 LEU HB3 H 1.825 0.000 2 156 510 29 LEU HG H 1.527 0.000 1 157 510 29 LEU HD1 H 0.610 0.000 2 158 510 29 LEU HD2 H 0.662 0.000 2 159 510 29 LEU CA C 59.537 0.000 1 160 510 29 LEU CB C 38.809 0.000 1 161 510 29 LEU CG C 26.318 0.000 1 162 510 29 LEU CD1 C 23.700 0.000 1 163 510 29 LEU CD2 C 25.640 0.000 1 164 510 29 LEU N N 124.597 0.000 1 165 511 30 PRO HA H 4.188 0.000 1 166 511 30 PRO HB2 H 2.242 0.000 2 167 511 30 PRO HB3 H 1.598 0.000 2 168 511 30 PRO HG2 H 1.825 0.000 2 169 511 30 PRO HG3 H 1.972 0.000 2 170 511 30 PRO HD2 H 3.305 0.000 2 171 511 30 PRO HD3 H 3.520 0.000 2 172 511 30 PRO CA C 65.159 0.000 1 173 511 30 PRO CB C 31.173 0.000 1 174 511 30 PRO CG C 28.362 0.000 1 175 511 30 PRO CD C 50.594 0.000 1 176 512 31 ILE H H 6.740 0.000 1 177 512 31 ILE HA H 3.555 0.000 1 178 512 31 ILE HB H 1.850 0.000 1 179 512 31 ILE HG12 H 0.956 0.000 2 180 512 31 ILE HG13 H 1.535 0.000 2 181 512 31 ILE HG2 H 0.644 0.000 1 182 512 31 ILE HD1 H 0.712 0.000 1 183 512 31 ILE CA C 63.626 0.000 1 184 512 31 ILE CB C 37.562 0.000 1 185 512 31 ILE CG1 C 27.851 0.000 1 186 512 31 ILE CG2 C 18.639 0.000 1 187 512 31 ILE CD1 C 12.775 0.000 1 188 512 31 ILE N N 116.144 0.000 1 189 513 32 ALA H H 7.742 0.000 1 190 513 32 ALA HA H 4.001 0.000 1 191 513 32 ALA HB H 1.206 0.000 1 192 513 32 ALA CA C 54.684 0.000 1 193 513 32 ALA CB C 17.961 0.000 1 194 513 32 ALA N N 120.058 0.000 1 195 514 33 ALA H H 7.900 0.000 1 196 514 33 ALA HA H 4.041 0.000 1 197 514 33 ALA HB H 1.280 0.000 1 198 514 33 ALA CA C 51.908 0.000 1 199 514 33 ALA CB C 19.430 0.000 1 200 514 33 ALA N N 112.305 0.000 1 201 515 34 SER H H 7.103 0.000 1 202 515 34 SER HA H 4.370 0.000 1 203 515 34 SER HB2 H 3.931 0.000 2 204 515 34 SER HB3 H 4.097 0.000 2 205 515 34 SER CA C 57.781 0.000 1 206 515 34 SER CB C 63.115 0.000 1 207 515 34 SER N N 113.093 0.000 1 208 516 35 THR H H 8.177 0.000 1 209 516 35 THR HA H 4.187 0.000 1 210 516 35 THR HB H 4.301 0.000 1 211 516 35 THR HG2 H 0.971 0.000 1 212 516 35 THR CA C 62.093 0.000 1 213 516 35 THR CB C 67.714 0.000 1 214 516 35 THR CG2 C 21.484 0.000 1 215 516 35 THR N N 115.903 0.000 1 216 517 36 ASP H H 8.295 0.000 1 217 517 36 ASP HA H 4.574 0.000 1 218 517 36 ASP HB2 H 2.524 0.000 2 219 517 36 ASP HB3 H 2.674 0.000 2 220 517 36 ASP CA C 54.171 0.000 1 221 517 36 ASP CB C 41.139 0.000 1 222 517 36 ASP N N 118.302 0.000 1 223 518 37 LEU H H 7.150 0.000 1 224 518 37 LEU HA H 4.531 0.000 1 225 518 37 LEU HB2 H 1.312 0.000 2 226 518 37 LEU HB3 H 1.628 0.000 2 227 518 37 LEU HG H 1.765 0.000 1 228 518 37 LEU HD1 H 1.008 0.000 2 229 518 37 LEU HD2 H 0.924 0.000 2 230 518 37 LEU CA C 53.050 0.000 1 231 518 37 LEU CB C 40.884 0.000 1 232 518 37 LEU CG C 26.318 0.000 1 233 518 37 LEU CD1 C 26.598 0.000 1 234 518 37 LEU CD2 C 22.600 0.000 1 235 518 37 LEU N N 121.136 0.000 1 236 519 38 PRO HA H 4.385 0.000 1 237 519 38 PRO HB2 H 2.455 0.000 2 238 519 38 PRO HB3 H 1.891 0.000 2 239 519 38 PRO HG2 H 1.777 0.000 2 240 519 38 PRO HG3 H 2.003 0.000 2 241 519 38 PRO HD2 H 3.487 0.000 2 242 519 38 PRO HD3 H 3.800 0.000 2 243 519 38 PRO CA C 63.115 0.000 1 244 519 38 PRO CB C 32.195 0.000 1 245 519 38 PRO CG C 27.340 0.000 1 246 519 38 PRO CD C 50.338 0.000 1 247 520 39 ILE H H 8.655 0.000 1 248 520 39 ILE HA H 3.760 0.000 1 249 520 39 ILE HB H 1.656 0.000 1 250 520 39 ILE HG12 H 1.122 0.000 2 251 520 39 ILE HG13 H 1.167 0.000 2 252 520 39 ILE HG2 H 1.023 0.000 1 253 520 39 ILE HD1 H 0.717 0.000 1 254 520 39 ILE CA C 63.881 0.000 1 255 520 39 ILE CB C 37.817 0.000 1 256 520 39 ILE CG1 C 29.385 0.000 1 257 520 39 ILE CG2 C 16.522 0.000 1 258 520 39 ILE CD1 C 14.272 0.000 1 259 520 39 ILE N N 124.919 0.000 1 260 522 41 THR H H 6.636 0.000 1 261 522 41 THR HA H 3.647 0.000 1 262 522 41 THR HB H 3.781 0.000 1 263 522 41 THR HG2 H 1.046 0.000 1 264 522 41 THR CA C 65.670 0.000 1 265 522 41 THR CB C 68.481 0.000 1 266 522 41 THR CG2 C 21.974 0.000 1 267 522 41 THR N N 114.698 0.000 1 268 523 42 ALA H H 7.251 0.000 1 269 523 42 ALA HA H 3.940 0.000 1 270 523 42 ALA HB H 1.323 0.000 1 271 523 42 ALA CA C 55.415 0.000 1 272 523 42 ALA CB C 18.392 0.000 1 273 523 42 ALA N N 122.860 0.000 1 274 524 43 ALA H H 9.218 0.000 1 275 524 43 ALA HA H 3.932 0.000 1 276 524 43 ALA HB H 1.517 0.000 1 277 524 43 ALA CA C 55.193 0.000 1 278 524 43 ALA CB C 18.652 0.000 1 279 524 43 ALA N N 121.541 0.000 1 280 526 45 ALA HA H 3.886 0.000 1 281 526 45 ALA HB H 1.379 0.000 1 282 526 45 ALA CA C 55.544 0.000 1 283 526 45 ALA CB C 18.113 0.000 1 284 527 46 SER HA H 3.932 0.000 1 285 527 46 SER HB2 H 3.856 0.000 2 286 527 46 SER HB3 H 3.856 0.000 2 287 527 46 SER CA C 60.304 0.000 1 288 527 46 SER CB C 62.859 0.000 1 289 528 47 LEU HA H 4.030 0.000 1 290 528 47 LEU HB2 H 1.544 0.000 2 291 528 47 LEU HB3 H 1.723 0.000 2 292 528 47 LEU HG H 1.625 0.000 1 293 528 47 LEU HD1 H 0.858 0.000 2 294 528 47 LEU HD2 H 0.800 0.000 2 295 528 47 LEU CA C 57.252 0.000 1 296 528 47 LEU CB C 41.555 0.000 1 297 528 47 LEU CG C 26.574 0.000 1 298 528 47 LEU CD1 C 24.530 0.000 1 299 528 47 LEU CD2 C 23.409 0.000 1 300 529 48 ALA HA H 4.312 0.000 1 301 529 48 ALA HB H 1.350 0.000 1 302 529 48 ALA CA C 52.127 0.000 1 303 529 48 ALA CB C 18.908 0.000 1 304 530 49 LEU HA H 3.931 0.000 1 305 530 49 LEU HB2 H 1.275 0.000 2 306 530 49 LEU HB3 H 2.079 0.000 2 307 530 49 LEU HD1 H 0.653 0.000 2 308 530 49 LEU HD2 H 0.917 0.000 2 309 530 49 LEU CA C 57.493 0.000 1 310 530 49 LEU CB C 42.161 0.000 1 311 530 49 LEU CD1 C 25.180 0.000 1 312 530 49 LEU CD2 C 24.274 0.000 1 313 531 50 ALA H H 8.675 0.000 1 314 531 50 ALA HA H 3.875 0.000 1 315 531 50 ALA HB H 1.607 0.000 1 316 531 50 ALA CA C 55.704 0.000 1 317 531 50 ALA CB C 19.842 0.000 1 318 531 50 ALA N N 121.603 0.000 1 319 533 52 VAL HA H 4.073 0.000 1 320 533 52 VAL HB H 2.544 0.000 1 321 533 52 VAL HG1 H 0.890 0.000 2 322 533 52 VAL HG2 H 1.220 0.000 2 323 533 52 VAL CA C 66.437 0.000 1 324 533 52 VAL CB C 31.684 0.000 1 325 533 52 VAL CG1 C 23.085 0.000 1 326 533 52 VAL CG2 C 23.409 0.000 1 327 534 53 PHE HD1 H 7.410 0.000 3 328 534 53 PHE HD2 H 7.410 0.000 3 329 534 53 PHE HE1 H 7.148 0.000 3 330 534 53 PHE HE2 H 7.148 0.000 3 331 534 53 PHE HZ H 6.964 0.000 1 332 535 54 VAL H H 6.624 0.000 1 333 535 54 VAL HA H 4.047 0.000 1 334 535 54 VAL HB H 2.269 0.000 1 335 535 54 VAL HG1 H 1.013 0.000 2 336 535 54 VAL HG2 H 1.035 0.000 2 337 535 54 VAL CA C 62.093 0.000 1 338 535 54 VAL CB C 30.918 0.000 1 339 535 54 VAL CG1 C 18.872 0.000 1 340 535 54 VAL CG2 C 21.156 0.000 1 341 535 54 VAL N N 125.207 0.000 1 342 536 55 GLY H H 7.749 0.000 1 343 536 55 GLY HA2 H 3.686 0.000 2 344 536 55 GLY HA3 H 4.208 0.000 2 345 536 55 GLY CA C 45.994 0.000 1 346 536 55 GLY N N 106.145 0.000 1 347 537 56 THR H H 7.962 0.000 1 348 537 56 THR HA H 4.262 0.000 1 349 537 56 THR HB H 4.444 0.000 1 350 537 56 THR HG2 H 1.299 0.000 1 351 537 56 THR CA C 62.604 0.000 1 352 537 56 THR CB C 72.058 0.000 1 353 537 56 THR CG2 C 21.208 0.000 1 354 537 56 THR N N 116.707 0.000 1 355 538 57 CYS H H 8.598 0.000 1 356 538 57 CYS HA H 4.308 0.000 1 357 538 57 CYS HB2 H 2.557 0.000 2 358 538 57 CYS HB3 H 3.412 0.000 2 359 538 57 CYS CA C 57.749 0.000 1 360 538 57 CYS CB C 36.284 0.000 1 361 538 57 CYS N N 114.912 0.000 1 362 539 58 ASN H H 6.886 0.000 1 363 539 58 ASN HA H 4.121 0.000 1 364 539 58 ASN HB2 H 2.239 0.000 2 365 539 58 ASN HB3 H 2.940 0.000 2 366 539 58 ASN CA C 56.215 0.000 1 367 539 58 ASN CB C 40.628 0.000 1 368 539 58 ASN N N 114.935 0.000 1 369 540 59 GLY H H 9.345 0.000 1 370 540 59 GLY HA2 H 3.749 0.000 2 371 540 59 GLY HA3 H 4.021 0.000 2 372 540 59 GLY CA C 47.527 0.000 1 373 540 59 GLY N N 120.207 0.000 1 374 541 60 ASP H H 7.768 0.000 1 375 541 60 ASP HA H 4.442 0.000 1 376 541 60 ASP HB2 H 2.455 0.000 2 377 541 60 ASP HB3 H 2.706 0.000 2 378 541 60 ASP CA C 57.493 0.000 1 379 541 60 ASP CB C 39.861 0.000 1 380 541 60 ASP N N 123.940 0.000 1 381 542 61 ILE H H 8.866 0.000 1 382 542 61 ILE HA H 3.423 0.000 1 383 542 61 ILE HB H 1.457 0.000 1 384 542 61 ILE HG12 H 0.426 0.000 2 385 542 61 ILE HG13 H 1.364 0.000 2 386 542 61 ILE HG2 H 0.793 0.000 1 387 542 61 ILE HD1 H 0.259 0.000 1 388 542 61 ILE CA C 64.903 0.000 1 389 542 61 ILE CB C 37.562 0.000 1 390 542 61 ILE CG1 C 28.874 0.000 1 391 542 61 ILE CG2 C 18.908 0.000 1 392 542 61 ILE CD1 C 15.132 0.000 1 393 542 61 ILE N N 121.748 0.000 1 394 543 62 THR H H 8.047 0.000 1 395 543 62 THR HA H 3.535 0.000 1 396 543 62 THR HB H 4.523 0.000 1 397 543 62 THR HG2 H 1.226 0.000 1 398 543 62 THR CA C 68.481 0.000 1 399 543 62 THR CB C 68.481 0.000 1 400 543 62 THR CG2 C 20.985 0.000 1 401 543 62 THR N N 117.103 0.000 1 402 544 63 THR H H 8.240 0.000 1 403 544 63 THR HA H 3.749 0.000 1 404 544 63 THR HB H 4.181 0.000 1 405 544 63 THR HG2 H 1.210 0.000 1 406 544 63 THR CA C 66.692 0.000 1 407 544 63 THR CB C 68.736 0.000 1 408 544 63 THR CG2 C 21.774 0.000 1 409 544 63 THR N N 117.176 0.000 1 410 545 64 SER H H 7.407 0.000 1 411 545 64 SER HA H 4.165 0.000 1 412 545 64 SER HB2 H 3.495 0.000 2 413 545 64 SER HB3 H 3.731 0.000 2 414 545 64 SER CA C 62.348 0.000 1 415 545 64 SER CB C 62.348 0.000 1 416 545 64 SER N N 117.103 0.000 1 417 546 65 ILE H H 7.830 0.000 1 418 546 65 ILE HA H 3.463 0.000 1 419 546 65 ILE HB H 1.871 0.000 1 420 546 65 ILE HG12 H 0.781 0.000 2 421 546 65 ILE HG13 H 0.781 0.000 2 422 546 65 ILE HG2 H 0.924 0.000 1 423 546 65 ILE HD1 H 0.775 0.000 1 424 546 65 ILE CA C 66.242 0.000 1 425 546 65 ILE CB C 38.328 0.000 1 426 546 65 ILE CG1 C 28.874 0.000 1 427 546 65 ILE CG2 C 17.886 0.000 1 428 546 65 ILE CD1 C 15.251 0.000 1 429 546 65 ILE N N 122.380 0.000 1 430 547 66 MET H H 8.524 0.000 1 431 547 66 MET HA H 4.498 0.000 1 432 547 66 MET HB2 H 2.072 0.000 2 433 547 66 MET HB3 H 2.242 0.000 2 434 547 66 MET HG2 H 2.648 0.000 2 435 547 66 MET HG3 H 2.721 0.000 2 436 547 66 MET HE H 1.909 0.000 1 437 547 66 MET CA C 56.982 0.000 1 438 547 66 MET CB C 30.197 0.000 1 439 547 66 MET CG C 31.940 0.000 1 440 547 66 MET CE C 16.097 0.000 1 441 547 66 MET N N 117.942 0.000 1 442 548 67 ASP H H 8.820 0.000 1 443 548 67 ASP HA H 4.498 0.000 1 444 548 67 ASP HB2 H 2.399 0.000 1 445 548 67 ASP HB3 H 2.787 0.000 1 446 548 67 ASP CA C 57.493 0.000 1 447 548 67 ASP CB C 39.350 0.000 1 448 548 67 ASP N N 119.475 0.000 1 449 549 68 ASN H H 7.443 0.000 1 450 549 68 ASN HA H 4.141 0.000 1 451 549 68 ASN HB2 H 1.873 0.000 2 452 549 68 ASN HB3 H 3.018 0.000 2 453 549 68 ASN CA C 57.493 0.000 1 454 549 68 ASN CB C 41.139 0.000 1 455 549 68 ASN N N 116.905 0.000 1 456 550 69 PHE H H 7.283 0.000 1 457 550 69 PHE HA H 4.383 0.000 1 458 550 69 PHE HB2 H 2.995 0.000 2 459 550 69 PHE HB3 H 3.182 0.000 2 460 550 69 PHE HD1 H 7.199 0.000 3 461 550 69 PHE HD2 H 7.199 0.000 3 462 550 69 PHE HE1 H 6.925 0.000 3 463 550 69 PHE HE2 H 6.925 0.000 3 464 550 69 PHE HZ H 6.727 0.000 1 465 550 69 PHE CA C 60.815 0.000 1 466 550 69 PHE CB C 39.409 0.000 1 467 550 69 PHE N N 115.303 0.000 1 468 551 70 LEU H H 8.274 0.000 1 469 551 70 LEU HA H 4.313 0.000 1 470 551 70 LEU HB2 H 1.584 0.000 2 471 551 70 LEU HB3 H 1.937 0.000 2 472 551 70 LEU HG H 1.792 0.000 1 473 551 70 LEU HD1 H 0.874 0.000 2 474 551 70 LEU HD2 H 0.832 0.000 2 475 551 70 LEU CA C 56.471 0.000 1 476 551 70 LEU CB C 43.183 0.000 1 477 551 70 LEU CG C 27.340 0.000 1 478 551 70 LEU CD1 C 24.785 0.000 1 479 551 70 LEU CD2 C 22.741 0.000 1 480 551 70 LEU N N 117.577 0.000 1 481 552 71 GLU H H 8.161 0.000 1 482 552 71 GLU HA H 3.942 0.000 1 483 552 71 GLU HB2 H 2.097 0.000 2 484 552 71 GLU HB3 H 2.097 0.000 2 485 552 71 GLU HG2 H 2.197 0.000 2 486 552 71 GLU HG3 H 2.307 0.000 2 487 552 71 GLU CA C 59.282 0.000 1 488 552 71 GLU CB C 29.103 0.000 1 489 552 71 GLU CG C 36.028 0.000 1 490 552 71 GLU N N 115.846 0.000 1 491 553 72 ARG H H 6.884 0.000 1 492 553 72 ARG HA H 4.574 0.000 1 493 553 72 ARG HB2 H 1.767 0.000 2 494 553 72 ARG HB3 H 1.767 0.000 2 495 553 72 ARG HG2 H 1.640 0.000 2 496 553 72 ARG HG3 H 1.640 0.000 2 497 553 72 ARG HD2 H 2.917 0.000 2 498 553 72 ARG HD3 H 3.190 0.000 2 499 553 72 ARG CA C 55.960 0.000 1 500 553 72 ARG CB C 30.662 0.000 1 501 553 72 ARG CG C 27.851 0.000 1 502 553 72 ARG CD C 43.439 0.000 1 503 553 72 ARG N N 116.743 0.000 1 504 554 73 THR H H 8.620 0.000 1 505 554 73 THR HA H 4.389 0.000 1 506 554 73 THR HB H 4.639 0.000 1 507 554 73 THR HG2 H 1.407 0.000 1 508 554 73 THR CA C 61.070 0.000 1 509 554 73 THR CB C 71.292 0.000 1 510 554 73 THR CG2 C 21.719 0.000 1 511 554 73 THR N N 110.707 0.000 1 512 555 74 ALA H H 8.682 0.000 1 513 555 74 ALA HA H 4.096 0.000 1 514 555 74 ALA HB H 1.509 0.000 1 515 555 74 ALA CA C 55.354 0.000 1 516 555 74 ALA CB C 18.127 0.000 1 517 555 74 ALA N N 122.620 0.000 1 518 556 75 ILE H H 7.702 0.000 1 519 556 75 ILE HA H 3.889 0.000 1 520 556 75 ILE HB H 1.837 0.000 1 521 556 75 ILE HG12 H 1.299 0.000 2 522 556 75 ILE HG13 H 1.580 0.000 2 523 556 75 ILE HG2 H 0.951 0.000 1 524 556 75 ILE HD1 H 0.914 0.000 1 525 556 75 ILE CA C 63.370 0.000 1 526 556 75 ILE CB C 38.073 0.000 1 527 556 75 ILE CG1 C 28.874 0.000 1 528 556 75 ILE CG2 C 17.472 0.000 1 529 556 75 ILE CD1 C 13.031 0.000 1 530 556 75 ILE N N 114.464 0.000 1 531 557 76 GLU H H 7.545 0.000 1 532 557 76 GLU HA H 4.256 0.000 1 533 557 76 GLU HB2 H 2.050 0.000 2 534 557 76 GLU HB3 H 2.324 0.000 2 535 557 76 GLU HG2 H 2.324 0.000 2 536 557 76 GLU HG3 H 2.443 0.001 2 537 557 76 GLU CA C 58.771 0.000 1 538 557 76 GLU CB C 31.316 0.000 1 539 557 76 GLU CG C 38.343 0.000 1 540 557 76 GLU N N 121.301 0.000 1 541 558 77 LEU H H 7.829 0.000 1 542 558 77 LEU HA H 4.062 0.000 1 543 558 77 LEU HB2 H 1.610 0.000 2 544 558 77 LEU HB3 H 1.851 0.000 2 545 558 77 LEU HG H 1.558 0.000 1 546 558 77 LEU HD1 H 0.420 0.000 2 547 558 77 LEU HD2 H 0.695 0.000 2 548 558 77 LEU CA C 58.004 0.000 1 549 558 77 LEU CB C 42.417 0.000 1 550 558 77 LEU CG C 27.085 0.000 1 551 558 77 LEU CD1 C 25.041 0.000 1 552 558 77 LEU CD2 C 23.507 0.000 1 553 558 77 LEU N N 118.899 0.000 1 554 562 81 TRP HA H 4.366 0.000 1 555 562 81 TRP HB2 H 2.948 0.000 2 556 562 81 TRP HB3 H 2.948 0.000 2 557 562 81 TRP HZ2 H 6.802 0.000 4 558 562 81 TRP HZ3 H 6.933 0.000 4 559 562 81 TRP CA C 59.793 0.000 1 560 562 81 TRP CB C 28.874 0.000 1 561 563 82 VAL HA H 3.659 0.001 1 562 563 82 VAL HB H 2.168 0.000 1 563 563 82 VAL HG1 H 0.973 0.000 2 564 563 82 VAL HG2 H 1.057 0.000 2 565 563 82 VAL CA C 65.926 0.000 1 566 563 82 VAL CB C 31.429 0.000 1 567 563 82 VAL CG1 C 21.324 0.000 1 568 563 82 VAL CG2 C 23.507 0.000 1 569 564 83 ARG HA H 4.273 0.000 1 570 564 83 ARG HB2 H 1.850 0.000 2 571 564 83 ARG HB3 H 1.896 0.000 2 572 564 83 ARG HG2 H 1.557 0.000 2 573 564 83 ARG HG3 H 1.619 0.000 2 574 564 83 ARG HD2 H 3.143 0.000 2 575 564 83 ARG HD3 H 3.143 0.000 2 576 564 83 ARG CA C 56.982 0.000 1 577 564 83 ARG CB C 30.151 0.000 1 578 564 83 ARG CG C 26.829 0.000 1 579 564 83 ARG CD C 43.183 0.000 1 580 566 85 LEU HA H 4.057 0.000 1 581 566 85 LEU HB2 H 1.609 0.000 2 582 566 85 LEU HB3 H 1.609 0.000 2 583 566 85 LEU HD1 H 0.932 0.000 2 584 566 85 LEU HD2 H 0.725 0.000 2 585 566 85 LEU CA C 57.749 0.000 1 586 566 85 LEU CB C 41.139 0.000 1 587 566 85 LEU CD1 C 25.933 0.000 1 588 566 85 LEU CD2 C 22.230 0.000 1 589 567 86 ALA HA H 4.004 0.000 1 590 567 86 ALA HB H 1.538 0.000 1 591 567 86 ALA CA C 54.427 0.000 1 592 567 86 ALA CB C 19.419 0.000 1 593 569 88 ALA H H 7.637 0.000 1 594 569 88 ALA HA H 3.741 0.000 1 595 569 88 ALA HB H 1.427 0.000 1 596 569 88 ALA CA C 55.248 0.000 1 597 569 88 ALA CB C 17.725 0.000 1 598 569 88 ALA N N 123.940 0.000 1 599 570 89 LEU H H 7.636 0.000 1 600 570 89 LEU HA H 4.039 0.000 1 601 570 89 LEU HB2 H 1.630 0.000 2 602 570 89 LEU HB3 H 1.741 0.000 2 603 570 89 LEU HG H 1.373 0.000 1 604 570 89 LEU HD1 H 0.958 0.000 2 605 570 89 LEU HD2 H 0.884 0.000 2 606 570 89 LEU CA C 57.749 0.000 1 607 570 89 LEU CB C 41.906 0.000 1 608 570 89 LEU CG C 26.063 0.000 1 609 570 89 LEU CD1 C 24.785 0.000 1 610 570 89 LEU CD2 C 25.041 0.000 1 611 570 89 LEU N N 117.193 0.000 1 612 573 92 LEU H H 8.510 0.000 1 613 573 92 LEU HA H 4.150 0.000 1 614 573 92 LEU HB2 H 1.658 0.000 2 615 573 92 LEU HB3 H 1.658 0.000 2 616 573 92 LEU HD1 H 0.960 0.000 2 617 573 92 LEU HD2 H 0.971 0.000 2 618 573 92 LEU CA C 57.757 0.000 1 619 573 92 LEU CB C 42.417 0.000 1 620 573 92 LEU CD1 C 25.296 0.000 1 621 573 92 LEU CD2 C 26.200 0.000 1 622 573 92 LEU N N 123.340 0.000 1 623 574 93 TYR H H 7.510 0.000 1 624 574 93 TYR HD1 H 7.266 0.000 3 625 574 93 TYR HD2 H 7.266 0.000 3 626 574 93 TYR HE1 H 6.704 0.000 3 627 574 93 TYR HE2 H 6.704 0.000 3 628 574 93 TYR N N 114.647 0.000 1 629 575 94 MET H H 7.209 0.000 1 630 575 94 MET HA H 4.363 0.000 1 631 575 94 MET HB2 H 1.950 0.000 2 632 575 94 MET HB3 H 2.070 0.000 2 633 575 94 MET HG2 H 2.301 0.000 2 634 575 94 MET HG3 H 2.301 0.000 2 635 575 94 MET HE H 1.986 0.000 1 636 575 94 MET CA C 55.449 0.000 1 637 575 94 MET CB C 29.385 0.000 1 638 575 94 MET CG C 33.473 0.000 1 639 575 94 MET CE C 17.361 0.000 1 640 575 94 MET N N 123.163 0.000 1 641 579 98 GLU H H 8.893 0.000 1 642 579 98 GLU HA H 4.402 0.000 1 643 579 98 GLU HB2 H 2.162 0.000 2 644 579 98 GLU HB3 H 2.162 0.000 2 645 579 98 GLU HG2 H 2.438 0.000 2 646 579 98 GLU HG3 H 2.438 0.000 2 647 579 98 GLU CA C 57.749 0.000 1 648 579 98 GLU CB C 29.193 0.000 1 649 579 98 GLU CG C 35.801 0.000 1 650 579 98 GLU N N 123.708 0.000 1 651 580 99 GLN H H 7.768 0.000 1 652 580 99 GLN HA H 4.231 0.000 1 653 580 99 GLN HB2 H 1.961 0.000 2 654 580 99 GLN HB3 H 2.477 0.000 2 655 580 99 GLN HG2 H 2.542 0.000 2 656 580 99 GLN HG3 H 2.692 0.000 2 657 580 99 GLN CA C 58.200 0.000 1 658 580 99 GLN CB C 29.385 0.000 1 659 580 99 GLN CG C 34.495 0.000 1 660 580 99 GLN N N 119.901 0.000 1 661 581 100 VAL H H 8.874 0.000 1 662 581 100 VAL HA H 3.786 0.000 1 663 581 100 VAL HB H 1.681 0.000 1 664 581 100 VAL HG1 H 0.853 0.000 2 665 581 100 VAL HG2 H 0.468 0.000 2 666 581 100 VAL CA C 61.326 0.000 1 667 581 100 VAL CB C 34.495 0.000 1 668 581 100 VAL CG1 C 19.930 0.000 1 669 581 100 VAL CG2 C 23.580 0.000 1 670 581 100 VAL N N 118.005 0.000 1 671 582 101 ASP H H 7.604 0.000 1 672 582 101 ASP HA H 4.158 0.000 1 673 582 101 ASP HB2 H 2.636 0.000 2 674 582 101 ASP HB3 H 2.732 0.000 2 675 582 101 ASP CA C 58.260 0.000 1 676 582 101 ASP CB C 39.355 0.000 1 677 582 101 ASP N N 123.700 0.000 1 678 583 102 ASP H H 8.376 0.000 1 679 583 102 ASP HA H 4.546 0.000 1 680 583 102 ASP HB2 H 2.650 0.000 2 681 583 102 ASP HB3 H 2.650 0.000 2 682 583 102 ASP CA C 54.938 0.000 1 683 583 102 ASP CB C 40.628 0.000 1 684 583 102 ASP N N 119.292 0.000 1 685 584 103 VAL H H 7.732 0.000 1 686 584 103 VAL HA H 3.727 0.000 1 687 584 103 VAL HB H 1.977 0.000 1 688 584 103 VAL HG1 H 0.650 0.000 2 689 584 103 VAL HG2 H 0.755 0.000 2 690 584 103 VAL CA C 65.159 0.000 1 691 584 103 VAL CB C 31.429 0.000 1 692 584 103 VAL CG1 C 21.463 0.000 1 693 584 103 VAL CG2 C 22.485 0.000 1 694 584 103 VAL N N 121.900 0.000 1 695 585 104 LEU H H 8.018 0.000 1 696 585 104 LEU HA H 3.879 0.000 1 697 585 104 LEU HB2 H 1.567 0.000 2 698 585 104 LEU HB3 H 1.826 0.000 2 699 585 104 LEU HG H 1.698 0.000 1 700 585 104 LEU HD1 H 0.910 0.000 2 701 585 104 LEU HD2 H 0.748 0.000 2 702 585 104 LEU CA C 57.493 0.000 1 703 585 104 LEU CB C 40.628 0.000 1 704 585 104 LEU CG C 26.318 0.000 1 705 585 104 LEU CD1 C 25.469 0.000 1 706 585 104 LEU CD2 C 23.050 0.009 1 707 585 104 LEU N N 119.481 0.000 1 708 586 105 GLU H H 7.729 0.000 1 709 586 105 GLU HA H 4.283 0.000 1 710 586 105 GLU HB2 H 1.990 0.000 2 711 586 105 GLU HB3 H 1.990 0.000 2 712 586 105 GLU HG2 H 2.127 0.000 2 713 586 105 GLU HG3 H 2.217 0.000 2 714 586 105 GLU CA C 55.704 0.000 1 715 586 105 GLU CB C 29.129 0.000 1 716 586 105 GLU CG C 36.284 0.000 1 717 586 105 GLU N N 118.081 0.000 1 718 587 106 THR HA H 3.882 0.000 1 719 587 106 THR HB H 4.258 0.000 1 720 587 106 THR HG2 H 1.191 0.000 1 721 587 106 THR CA C 66.400 0.000 1 722 587 106 THR CB C 68.288 0.000 1 723 587 106 THR CG2 C 22.230 0.000 1 724 588 107 ILE HA H 3.484 0.000 1 725 588 107 ILE HB H 1.786 0.000 1 726 588 107 ILE HG12 H 0.723 0.000 2 727 588 107 ILE HG13 H 1.468 0.000 2 728 588 107 ILE HG2 H 0.571 0.000 1 729 588 107 ILE HD1 H 0.406 0.000 1 730 588 107 ILE CA C 64.025 0.000 1 731 588 107 ILE CB C 37.562 0.000 1 732 588 107 ILE CG1 C 28.874 0.000 1 733 588 107 ILE CG2 C 17.540 0.000 1 734 588 107 ILE CD1 C 13.286 0.000 1 735 589 108 SER HA H 4.403 0.000 1 736 589 108 SER HB2 H 3.985 0.000 2 737 589 108 SER HB3 H 3.985 0.000 2 738 589 108 SER CA C 58.477 0.000 1 739 589 108 SER CB C 63.314 0.000 1 740 590 109 ALA H H 7.097 0.000 1 741 590 109 ALA HA H 4.329 0.000 1 742 590 109 ALA HB H 1.460 0.000 1 743 590 109 ALA CA C 51.871 0.000 1 744 590 109 ALA CB C 19.324 0.000 1 745 590 109 ALA N N 121.963 0.000 1 746 591 110 ILE H H 7.990 0.000 1 747 591 110 ILE HA H 4.175 0.000 1 748 591 110 ILE HB H 1.825 0.000 1 749 591 110 ILE HG12 H 1.113 0.000 2 750 591 110 ILE HG13 H 1.399 0.000 2 751 591 110 ILE HG2 H 0.866 0.000 1 752 591 110 ILE HD1 H 0.802 0.000 1 753 591 110 ILE CA C 61.070 0.000 1 754 591 110 ILE CB C 38.584 0.000 1 755 591 110 ILE CG1 C 27.085 0.000 1 756 591 110 ILE CG2 C 17.375 0.000 1 757 591 110 ILE CD1 C 13.060 0.000 1 758 591 110 ILE N N 119.802 0.000 1 759 593 112 HIS HA H 4.874 0.000 1 760 593 112 HIS HB2 H 2.996 0.000 2 761 593 112 HIS HB3 H 3.089 0.000 2 762 593 112 HIS CA C 53.660 0.000 1 763 593 112 HIS CB C 30.094 0.000 1 764 594 113 PRO HA H 4.325 0.000 1 765 594 113 PRO HB2 H 2.255 0.000 2 766 594 113 PRO HB3 H 1.882 0.000 2 767 594 113 PRO HG2 H 1.963 0.000 2 768 594 113 PRO HG3 H 1.963 0.000 2 769 594 113 PRO HD2 H 3.513 0.000 2 770 594 113 PRO HD3 H 3.692 0.000 2 771 594 113 PRO CA C 63.355 0.000 1 772 594 113 PRO CB C 31.940 0.000 1 773 594 113 PRO CG C 27.085 0.000 1 774 594 113 PRO CD C 50.594 0.000 1 775 595 114 MET H H 8.232 0.000 1 776 595 114 MET HE H 2.029 0.000 1 777 595 114 MET CE C 16.608 0.000 1 778 595 114 MET N N 120.044 0.000 1 779 596 115 THR HA H 3.558 0.000 1 780 596 115 THR HB H 4.208 0.000 1 781 596 115 THR HG2 H 1.289 0.000 1 782 596 115 THR CA C 68.481 0.000 1 783 596 115 THR CB C 68.225 0.000 1 784 596 115 THR CG2 C 22.915 0.000 1 785 597 116 SER HA H 3.998 0.000 1 786 597 116 SER HB2 H 3.874 0.000 2 787 597 116 SER HB3 H 3.874 0.000 2 788 597 116 SER CA C 61.070 0.000 1 789 597 116 SER CB C 62.859 0.000 1 790 598 117 ALA HA H 4.136 0.000 1 791 598 117 ALA HB H 1.430 0.000 1 792 598 117 ALA CA C 54.171 0.000 1 793 598 117 ALA CB C 18.141 0.000 1 794 599 118 ILE HA H 3.456 0.000 1 795 599 118 ILE HB H 1.881 0.000 1 796 599 118 ILE HG12 H 0.910 0.000 2 797 599 118 ILE HG13 H 0.910 0.000 2 798 599 118 ILE HG2 H 0.644 0.000 1 799 599 118 ILE HD1 H 0.408 0.000 1 800 599 118 ILE CA C 66.181 0.000 1 801 599 118 ILE CB C 37.802 0.000 1 802 599 118 ILE CG1 C 28.874 0.000 1 803 599 118 ILE CG2 C 17.345 0.000 1 804 599 118 ILE CD1 C 13.031 0.000 1 805 600 119 GLU HA H 3.657 0.000 1 806 600 119 GLU HB2 H 2.027 0.000 2 807 600 119 GLU HB3 H 2.186 0.000 2 808 600 119 GLU HG2 H 2.035 0.000 2 809 600 119 GLU HG3 H 2.328 0.000 2 810 600 119 GLU CA C 60.048 0.000 1 811 600 119 GLU CB C 29.385 0.000 1 812 600 119 GLU CG C 36.539 0.000 1 813 601 120 VAL HA H 3.735 0.000 1 814 601 120 VAL HB H 2.040 0.000 1 815 601 120 VAL HG1 H 0.919 0.000 2 816 601 120 VAL HG2 H 1.051 0.000 2 817 601 120 VAL CA C 65.926 0.000 1 818 601 120 VAL CB C 31.684 0.000 1 819 601 120 VAL CG1 C 21.208 0.000 1 820 601 120 VAL CG2 C 22.485 0.000 1 821 603 122 VAL HA H 3.734 0.000 1 822 603 122 VAL HB H 1.869 0.000 1 823 603 122 VAL HG1 H 0.600 0.000 2 824 603 122 VAL HG2 H 1.042 0.000 2 825 603 122 VAL CA C 65.415 0.000 1 826 603 122 VAL CB C 31.684 0.000 1 827 603 122 VAL CG1 C 21.719 0.000 1 828 603 122 VAL CG2 C 23.646 0.000 1 829 604 123 GLY HA2 H 3.736 0.000 2 830 604 123 GLY HA3 H 3.736 0.000 2 831 604 123 GLY CA C 47.272 0.000 1 832 606 125 CYS HA H 4.827 0.000 1 833 606 125 CYS HB2 H 2.689 0.000 2 834 606 125 CYS HB3 H 2.689 0.000 2 835 606 125 CYS CA C 54.938 0.000 1 836 606 125 CYS CB C 33.218 0.000 1 837 607 126 ALA HA H 4.652 0.000 1 838 607 126 ALA HB H 1.435 0.000 1 839 607 126 ALA CA C 54.682 0.000 1 840 607 126 ALA CB C 19.419 0.000 1 841 608 127 TYR HD1 H 7.284 0.000 3 842 608 127 TYR HD2 H 7.284 0.000 3 843 608 127 TYR HE1 H 6.627 0.000 3 844 608 127 TYR HE2 H 6.627 0.000 3 stop_ save_