data_15469 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignment of the domain 513-651 from the SARS-CoV nonstructural protein nsp3 ; _BMRB_accession_number 15469 _BMRB_flat_file_name bmr15469.str _Entry_type update _Submission_date 2008-01-11 _Accession_date 2007-09-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR assignment of the domain 513-651 from the SARS-CoV nonstructural protein nsp3' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chatterjee Amarnath . . 2 Johnson Margaret A. . 3 Serrano Pedro . . 4 Pedrini Bill . . 5 Joseph Jeremiah . . 6 Saikatendu Kumar . . 7 Neuman Benjamin W. . 8 Wilson Ian A. . 9 Stevens Ray . . 10 Buchmeier Michael J. . 11 Kuhn Peter . . 12 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 781 "13C chemical shifts" 615 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-12 update BMRB 'added PubMed ID' 2008-10-22 update BMRB 'complete entry citation' 2008-02-05 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15618 ; NMR assignment of the domain 527-651 from the SARS-CoV nonstructural protein nsp3 ; stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of the domain 513-651 from the SARS-CoV nonstructural protein nsp3' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636862 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chatterjee Amarnath . . 2 Johnson Margaret A. . 3 Serrano Pedro . . 4 Pedrini Bill . . 5 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 1 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 191 _Page_last 194 _Year 2007 _Details . loop_ _Keyword 'Nonstructural protein' nsp3 nsp3c SARS-CoV 'SARS-unique domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name nsp3(513-651) _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label nsp3(513-651) $nsp3(513-651) stop_ _System_molecular_weight 15841.3 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'SARS-Cov nonstructural protein nsp3(513-651)' save_ ######################## # Monomeric polymers # ######################## save_nsp3(513-651) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common nsp3(513-651) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; GSHMVLPSEAPNAKEEILGT VSWNLREMLAHAEETRKLMP ICMDVRAIMATIQRKYKGIK IQEGIVDYGVRFFFYTSKEP VASIITKLNSLNEPLVTMPI GYVTHGFNLEEAARCMRSLK APAVVSVSSPDAVTTYNGYL TSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 SER 3 -2 HIS 4 -1 MET 5 513 VAL 6 514 LEU 7 515 PRO 8 516 SER 9 517 GLU 10 518 ALA 11 519 PRO 12 520 ASN 13 521 ALA 14 522 LYS 15 523 GLU 16 524 GLU 17 525 ILE 18 526 LEU 19 527 GLY 20 528 THR 21 529 VAL 22 530 SER 23 531 TRP 24 532 ASN 25 533 LEU 26 534 ARG 27 535 GLU 28 536 MET 29 537 LEU 30 538 ALA 31 539 HIS 32 540 ALA 33 541 GLU 34 542 GLU 35 543 THR 36 544 ARG 37 545 LYS 38 546 LEU 39 547 MET 40 548 PRO 41 549 ILE 42 550 CYS 43 551 MET 44 552 ASP 45 553 VAL 46 554 ARG 47 555 ALA 48 556 ILE 49 557 MET 50 558 ALA 51 559 THR 52 560 ILE 53 561 GLN 54 562 ARG 55 563 LYS 56 564 TYR 57 565 LYS 58 566 GLY 59 567 ILE 60 568 LYS 61 569 ILE 62 570 GLN 63 571 GLU 64 572 GLY 65 573 ILE 66 574 VAL 67 575 ASP 68 576 TYR 69 577 GLY 70 578 VAL 71 579 ARG 72 580 PHE 73 581 PHE 74 582 PHE 75 583 TYR 76 584 THR 77 585 SER 78 586 LYS 79 587 GLU 80 588 PRO 81 589 VAL 82 590 ALA 83 591 SER 84 592 ILE 85 593 ILE 86 594 THR 87 595 LYS 88 596 LEU 89 597 ASN 90 598 SER 91 599 LEU 92 600 ASN 93 601 GLU 94 602 PRO 95 603 LEU 96 604 VAL 97 605 THR 98 606 MET 99 607 PRO 100 608 ILE 101 609 GLY 102 610 TYR 103 611 VAL 104 612 THR 105 613 HIS 106 614 GLY 107 615 PHE 108 616 ASN 109 617 LEU 110 618 GLU 111 619 GLU 112 620 ALA 113 621 ALA 114 622 ARG 115 623 CYS 116 624 MET 117 625 ARG 118 626 SER 119 627 LEU 120 628 LYS 121 629 ALA 122 630 PRO 123 631 ALA 124 632 VAL 125 633 VAL 126 634 SER 127 635 VAL 128 636 SER 129 637 SER 130 638 PRO 131 639 ASP 132 640 ALA 133 641 VAL 134 642 THR 135 643 THR 136 644 TYR 137 645 ASN 138 646 GLY 139 647 TYR 140 648 LEU 141 649 THR 142 650 SER 143 651 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15618 nsp3(527-651) 88.11 129 99.21 100.00 5.41e-87 BMRB 16613 SUD-MC 88.11 198 99.21 100.00 1.50e-86 PDB 2JZD "Nmr Structure Of The Domain 527-651 Of The Sars-Cov Nonstructural Protein Nsp3" 88.11 129 99.21 100.00 5.41e-87 PDB 2JZE "Nmr Structure Of The Domain 527-651 Of The Sars-Cov Nonstructural Protein Nsp3, Single Conformer Closest To The Mean Coordinate" 88.11 129 99.21 100.00 5.41e-87 PDB 2JZF "Nmr Conformer Closest To The Mean Coordinates Of The Domain 513-651 Of The Sars-Cov Nonstructural Protein Nsp3" 100.00 143 100.00 100.00 8.63e-101 PDB 2KQV "Sars Coronavirus-Unique Domain (Sud): Three-Domain Molecular Architecture In Solution And Rna Binding. I: Structure Of The Sud-" 88.11 198 99.21 100.00 1.50e-86 PDB 2KQW "Sars Coronavirus-Unique Domain (Sud): Three-Domain Molecular Architecture In Solution And Rna Binding. Ii: Structure Of The Sud" 88.11 198 99.21 100.00 1.50e-86 PDB 2RNK "Nmr Structure Of The Domain 513-651 Of The Sars-Cov Nonstructural Protein Nsp3" 100.00 143 100.00 100.00 8.63e-101 PDB 2W2G "Human Sars Coronavirus Unique Domain" 97.20 264 99.28 100.00 1.63e-95 PDB 2WCT "Human Sars Coronavirus Unique Domain (Triclinic Form)" 97.20 264 99.28 100.00 1.63e-95 DBJ BAC81346 "polyprotein 1ab [SARS coronavirus TWH]" 97.20 7073 100.00 100.00 2.60e-86 DBJ BAC81347 "polyprotein 1a [SARS coronavirus TWH]" 97.20 4382 100.00 100.00 1.82e-86 DBJ BAC81360 "polyprotein 1ab [SARS coronavirus TWJ]" 97.20 7073 100.00 100.00 2.60e-86 DBJ BAC81361 "polyprotein 1a [SARS coronavirus TWJ]" 97.20 4382 100.00 100.00 1.82e-86 DBJ BAC81374 "polyprotein 1ab [SARS coronavirus TWK]" 97.20 7073 100.00 100.00 2.60e-86 GB AAP13439 "nonstructural polyprotein pp1a [SARS coronavirus Urbani]" 97.20 4382 100.00 100.00 1.82e-86 GB AAP13442 "nonstructural polyprotein pp1ab [SARS coronavirus Urbani]" 97.20 7073 100.00 100.00 2.60e-86 GB AAP13566 "putative orf1ab polyprotein [SARS coronavirus CUHK-W1]" 97.20 7073 100.00 100.00 2.89e-86 GB AAP13575 "orf1a polyprotein [SARS coronavirus CUHK-W1]" 97.20 4382 100.00 100.00 1.82e-86 GB AAP30028 "orf1ab [SARS coronavirus BJ01]" 97.20 7073 100.00 100.00 2.89e-86 REF NP_828849 "orf1ab polyprotein (pp1ab) [SARS coronavirus]" 97.20 7073 100.00 100.00 2.60e-86 REF NP_828850 "orf1a polyprotein (pp1a) [SARS coronavirus]" 97.20 4382 100.00 100.00 1.82e-86 REF NP_828862 "nsp3-pp1a/pp1ab [SARS coronavirus]" 97.20 1922 100.00 100.00 3.91e-87 SP P0C6T7 "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" 97.20 4380 97.84 99.28 1.73e-85 SP P0C6U8 "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" 97.20 4382 100.00 100.00 1.82e-86 SP P0C6W6 "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" 97.20 7071 97.84 99.28 3.01e-85 SP P0C6X7 "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" 97.20 7073 100.00 100.00 2.60e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $nsp3(513-651) 'SARS virus' 227859 Viruses . Coronavirus 'SARS virus' 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 $nsp3(513-651) 'recombinant technology' . Escherichia coli BL21(DE3) pET28b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_13C15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $nsp3(513-651) 1.2 mM '[U-99% 13C; U-98% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ save_sample_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $nsp3(513-651) 1.2 mM '[U-98% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name CYANA _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'Creating Chemical Shift List' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_15N save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_13C15N save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_13C15N save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_13C15N save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_13C15N save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_13C15N save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_13C15N save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_13C15N save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_13C15N save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_13C15N save_ save_3D_1H-15N_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_13C15N save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_13C15N save_ save_3D_1H-13C_NOESY_aliphatic_region_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic region' _Sample_label $sample_13C15N save_ save_3D_1H-13C_NOESY_aromatic_region_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic region' _Sample_label $sample_13C15N 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' 0.227 . M pH 6.5 0.1 pH pressure 1 . atm temperature 298 0.1 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $CARA $CYANA stop_ loop_ _Experiment_label '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D 1H-15N TOCSY' stop_ loop_ _Sample_label $sample_13C15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name nsp3(513-651) _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 -3 2 SER N N 115.970 0.40 1 2 -3 2 SER H H 8.589 0.02 1 3 -3 2 SER CA C 56.991 0.40 1 4 -3 2 SER HA H 4.607 0.02 1 5 -3 2 SER CB C 64.444 0.40 1 6 -3 2 SER HB2 H 3.800 0.02 2 7 -3 2 SER HB3 H 2.961 0.02 2 8 -3 2 SER C C 174.486 0.40 1 9 -2 3 HIS N N 122.640 0.40 1 10 -2 3 HIS H H 8.406 0.02 1 11 -2 3 HIS CA C 56.161 0.40 1 12 -2 3 HIS HA H 4.590 0.02 1 13 -2 3 HIS CB C 30.003 0.40 1 14 -2 3 HIS HB2 H 3.089 0.02 2 15 -2 3 HIS C C 176.499 0.40 1 16 -1 4 MET N N 122.335 0.40 1 17 -1 4 MET H H 8.228 0.02 1 18 -1 4 MET CA C 55.335 0.40 1 19 -1 4 MET HA H 4.220 0.02 1 20 -1 4 MET CB C 33.213 0.40 1 21 -1 4 MET HB2 H 2.543 0.02 2 22 -1 4 MET CG C 31.338 0.40 1 23 -1 4 MET HG2 H 2.094 0.02 2 24 -1 4 MET HE H 1.888 0.02 1 25 -1 4 MET CE C 17.900 0.40 1 26 -1 4 MET C C 175.401 0.40 1 27 513 5 VAL N N 122.838 0.40 1 28 513 5 VAL H H 8.144 0.02 1 29 513 5 VAL CA C 61.655 0.40 1 30 513 5 VAL HA H 3.997 0.02 1 31 513 5 VAL CB C 32.609 0.40 1 32 513 5 VAL HB H 1.914 0.02 1 33 513 5 VAL HG1 H 0.826 0.02 2 34 513 5 VAL CG1 C 20.426 0.40 1 35 513 5 VAL C C 175.651 0.40 1 36 514 6 LEU N N 127.964 0.40 1 37 514 6 LEU H H 8.363 0.02 1 38 514 6 LEU CA C 52.280 0.40 1 39 514 6 LEU HA H 4.558 0.02 1 40 514 6 LEU CB C 41.463 0.40 1 41 514 6 LEU HB2 H 1.475 0.02 2 42 514 6 LEU HB3 H 1.520 0.02 2 43 514 6 LEU CG C 26.940 0.40 1 44 514 6 LEU HG H 1.583 0.02 1 45 514 6 LEU CD1 C 22.933 0.40 2 46 514 6 LEU HD1 H 0.817 0.02 2 47 515 7 PRO CD C 50.075 0.40 1 48 515 7 PRO CA C 62.902 0.40 1 49 515 7 PRO HA H 4.339 0.02 1 50 515 7 PRO CB C 31.743 0.40 1 51 515 7 PRO HB2 H 2.231 0.02 2 52 515 7 PRO HB3 H 1.858 0.02 2 53 515 7 PRO CG C 27.327 0.40 1 54 515 7 PRO HG2 H 1.929 0.02 2 55 515 7 PRO HG3 H 1.967 0.02 2 56 515 7 PRO HD2 H 3.765 0.02 2 57 515 7 PRO HD3 H 3.591 0.02 2 58 515 7 PRO C C 176.930 0.40 1 59 516 8 SER N N 114.769 0.40 1 60 516 8 SER H H 8.157 0.02 1 61 516 8 SER CA C 57.917 0.40 1 62 516 8 SER HA H 4.286 0.02 1 63 516 8 SER CB C 63.225 0.40 1 64 516 8 SER HB2 H 3.736 0.02 2 65 516 8 SER HB3 H 3.815 0.02 2 66 516 8 SER C C 174.524 0.40 1 67 517 9 GLU N N 122.239 0.40 1 68 517 9 GLU H H 8.271 0.02 1 69 517 9 GLU CA C 55.971 0.40 1 70 517 9 GLU HA H 4.174 0.02 1 71 517 9 GLU CB C 30.304 0.40 1 72 517 9 GLU HB2 H 1.895 0.02 2 73 517 9 GLU HB3 H 1.827 0.02 2 74 517 9 GLU CG C 35.853 0.40 1 75 517 9 GLU HG2 H 2.152 0.02 2 76 517 9 GLU HG3 H 2.100 0.02 2 77 517 9 GLU C C 175.651 0.40 1 78 518 10 ALA N N 126.044 0.40 1 79 518 10 ALA H H 8.150 0.02 1 80 518 10 ALA CA C 50.102 0.40 1 81 518 10 ALA HA H 4.471 0.02 1 82 518 10 ALA HB H 1.267 0.02 1 83 518 10 ALA CB C 17.923 0.40 1 84 519 11 PRO CD C 49.744 0.40 1 85 519 11 PRO CA C 62.910 0.40 1 86 519 11 PRO HA H 4.334 0.02 1 87 519 11 PRO CB C 31.686 0.40 1 88 519 11 PRO HB2 H 2.150 0.02 2 89 519 11 PRO HB3 H 1.773 0.02 2 90 519 11 PRO CG C 27.310 0.40 1 91 519 11 PRO HG2 H 1.870 0.02 2 92 519 11 PRO HD2 H 3.670 0.02 2 93 519 11 PRO HD3 H 3.546 0.02 2 94 519 11 PRO C C 176.743 0.40 1 95 520 12 ASN N N 118.213 0.40 1 96 520 12 ASN H H 8.387 0.02 1 97 520 12 ASN CA C 52.556 0.40 1 98 520 12 ASN HA H 4.564 0.02 1 99 520 12 ASN CB C 38.558 0.40 1 100 520 12 ASN HB2 H 2.735 0.02 2 101 520 12 ASN HB3 H 2.683 0.02 2 102 520 12 ASN ND2 N 112.887 0.40 1 103 520 12 ASN HD21 H 7.545 0.02 2 104 520 12 ASN HD22 H 6.850 0.02 2 105 520 12 ASN C C 174.959 0.40 1 106 521 13 ALA N N 124.627 0.40 1 107 521 13 ALA H H 8.173 0.02 1 108 521 13 ALA CA C 52.315 0.40 1 109 521 13 ALA HA H 4.204 0.02 1 110 521 13 ALA HB H 1.313 0.02 1 111 521 13 ALA CB C 19.175 0.40 1 112 521 13 ALA C C 177.616 0.40 1 113 522 14 LYS N N 119.894 0.40 1 114 522 14 LYS H H 8.187 0.02 1 115 522 14 LYS CA C 55.732 0.40 1 116 522 14 LYS HA H 4.195 0.02 1 117 522 14 LYS CB C 32.682 0.40 1 118 522 14 LYS HB2 H 1.755 0.02 2 119 522 14 LYS HB3 H 1.680 0.02 2 120 522 14 LYS CG C 24.480 0.40 1 121 522 14 LYS HG2 H 1.347 0.02 2 122 522 14 LYS CD C 28.863 0.40 1 123 522 14 LYS HD2 H 1.589 0.02 2 124 522 14 LYS CE C 41.936 0.40 1 125 522 14 LYS HE2 H 2.900 0.02 2 126 522 14 LYS C C 176.499 0.40 1 127 523 15 GLU N N 121.599 0.40 1 128 523 15 GLU H H 8.271 0.02 1 129 523 15 GLU CA C 56.031 0.40 1 130 523 15 GLU HA H 4.172 0.02 1 131 523 15 GLU CB C 30.202 0.40 1 132 523 15 GLU HB2 H 1.958 0.02 2 133 523 15 GLU HB3 H 1.850 0.02 2 134 523 15 GLU CG C 36.051 0.40 1 135 523 15 GLU HG2 H 2.163 0.02 2 136 523 15 GLU HG3 H 2.096 0.02 2 137 523 15 GLU C C 176.167 0.40 1 138 524 16 GLU N N 122.547 0.40 1 139 524 16 GLU H H 8.286 0.02 1 140 524 16 GLU CA C 56.034 0.40 1 141 524 16 GLU HA H 4.174 0.02 1 142 524 16 GLU CB C 30.122 0.40 1 143 524 16 GLU HB2 H 1.889 0.02 2 144 524 16 GLU HB3 H 1.843 0.02 2 145 524 16 GLU CG C 36.063 0.40 1 146 524 16 GLU HG2 H 2.162 0.02 2 147 524 16 GLU HG3 H 2.096 0.02 2 148 524 16 GLU C C 175.900 0.40 1 149 525 17 ILE N N 123.342 0.40 1 150 525 17 ILE H H 8.224 0.02 1 151 525 17 ILE CA C 60.412 0.40 1 152 525 17 ILE HA H 4.055 0.02 1 153 525 17 ILE CB C 38.242 0.40 1 154 525 17 ILE HB H 1.736 0.02 1 155 525 17 ILE HG2 H 0.740 0.02 1 156 525 17 ILE CG2 C 17.300 0.40 1 157 525 17 ILE CG1 C 27.002 0.40 1 158 525 17 ILE HG12 H 1.429 0.02 2 159 525 17 ILE HG13 H 1.122 0.02 2 160 525 17 ILE HD1 H 0.800 0.02 1 161 525 17 ILE CD1 C 12.600 0.40 1 162 525 17 ILE C C 174.953 0.40 1 163 526 18 LEU N N 125.752 0.40 1 164 526 18 LEU H H 7.981 0.02 1 165 526 18 LEU CA C 54.162 0.40 1 166 526 18 LEU HA H 4.287 0.02 1 167 526 18 LEU CB C 43.871 0.40 1 168 526 18 LEU HB2 H 1.523 0.02 2 169 526 18 LEU HB3 H 1.379 0.02 2 170 526 18 LEU CG C 26.984 0.40 1 171 526 18 LEU HG H 1.460 0.02 1 172 526 18 LEU HD1 H 0.801 0.02 2 173 526 18 LEU HD2 H 0.765 0.02 2 174 526 18 LEU CD1 C 25.104 0.40 2 175 526 18 LEU CD2 C 23.244 0.40 2 176 526 18 LEU C C 176.672 0.40 1 177 527 19 GLY N N 108.626 0.40 1 178 527 19 GLY H H 8.155 0.02 1 179 527 19 GLY CA C 45.110 0.40 1 180 527 19 GLY HA2 H 3.823 0.02 2 181 527 19 GLY HA3 H 4.012 0.02 2 182 527 19 GLY C C 172.567 0.40 1 183 528 20 THR N N 118.293 0.40 1 184 528 20 THR H H 7.800 0.02 1 185 528 20 THR CA C 60.716 0.40 1 186 528 20 THR HA H 5.067 0.02 1 187 528 20 THR CB C 67.596 0.40 1 188 528 20 THR HB H 3.964 0.02 1 189 528 20 THR HG2 H 1.064 0.02 1 190 528 20 THR CG2 C 24.791 0.40 1 191 528 20 THR C C 174.541 0.40 1 192 529 21 VAL N N 121.381 0.40 1 193 529 21 VAL H H 8.988 0.02 1 194 529 21 VAL CA C 58.217 0.40 1 195 529 21 VAL HA H 4.249 0.02 1 196 529 21 VAL CB C 35.737 0.40 1 197 529 21 VAL HB H 1.022 0.02 1 198 529 21 VAL HG1 H 0.048 0.02 2 199 529 21 VAL HG2 H -0.934 0.02 2 200 529 21 VAL CG1 C 20.408 0.40 2 201 529 21 VAL CG2 C 15.894 0.40 2 202 529 21 VAL C C 174.009 0.40 1 203 530 22 SER N N 112.745 0.40 1 204 530 22 SER H H 8.217 0.02 1 205 530 22 SER CA C 55.677 0.40 1 206 530 22 SER HA H 4.812 0.02 1 207 530 22 SER CB C 62.588 0.40 1 208 530 22 SER HB2 H 3.351 0.02 2 209 530 22 SER HB3 H 3.133 0.02 2 210 530 22 SER C C 172.905 0.40 1 211 531 23 TRP N N 124.640 0.40 1 212 531 23 TRP H H 7.648 0.02 1 213 531 23 TRP CA C 51.666 0.40 1 214 531 23 TRP HA H 5.347 0.02 1 215 531 23 TRP CB C 32.926 0.40 1 216 531 23 TRP HB2 H 3.092 0.02 2 217 531 23 TRP HB3 H 2.750 0.02 2 218 531 23 TRP CD1 C 124.030 0.40 1 219 531 23 TRP CE3 C 118.151 0.40 1 220 531 23 TRP NE1 N 127.571 0.40 1 221 531 23 TRP HD1 H 6.998 0.02 1 222 531 23 TRP HE3 H 6.764 0.02 1 223 531 23 TRP CZ3 C 121.400 0.40 1 224 531 23 TRP CZ2 C 114.400 0.40 1 225 531 23 TRP HE1 H 9.929 0.02 1 226 531 23 TRP HZ3 H 6.256 0.02 1 227 531 23 TRP CH2 C 123.600 0.40 1 228 531 23 TRP HZ2 H 7.178 0.02 1 229 531 23 TRP HH2 H 5.971 0.02 1 230 531 23 TRP C C 177.028 0.40 1 231 532 24 ASN N N 121.587 0.40 1 232 532 24 ASN H H 9.315 0.02 1 233 532 24 ASN CA C 51.659 0.40 1 234 532 24 ASN HA H 5.347 0.02 1 235 532 24 ASN CB C 38.228 0.40 1 236 532 24 ASN HB2 H 3.263 0.02 2 237 532 24 ASN HB3 H 2.891 0.02 2 238 532 24 ASN ND2 N 111.220 0.40 1 239 532 24 ASN HD21 H 7.410 0.02 2 240 532 24 ASN HD22 H 6.584 0.02 2 241 532 24 ASN C C 175.211 0.40 1 242 533 25 LEU N N 119.723 0.40 1 243 533 25 LEU H H 8.516 0.02 1 244 533 25 LEU CA C 58.232 0.40 1 245 533 25 LEU HA H 4.097 0.02 1 246 533 25 LEU CB C 41.354 0.40 1 247 533 25 LEU HB2 H 1.825 0.02 2 248 533 25 LEU HB3 H 1.630 0.02 2 249 533 25 LEU CG C 27.300 0.40 1 250 533 25 LEU HG H 1.670 0.02 1 251 533 25 LEU HD1 H 1.051 0.02 2 252 533 25 LEU HD2 H 0.980 0.02 2 253 533 25 LEU CD1 C 26.994 0.40 2 254 533 25 LEU CD2 C 23.240 0.40 2 255 533 25 LEU C C 178.306 0.40 1 256 534 26 ARG N N 117.704 0.40 1 257 534 26 ARG H H 8.068 0.02 1 258 534 26 ARG CA C 59.780 0.40 1 259 534 26 ARG HA H 3.836 0.02 1 260 534 26 ARG CB C 28.885 0.40 1 261 534 26 ARG HB2 H 1.807 0.02 2 262 534 26 ARG CG C 27.244 0.40 1 263 534 26 ARG HG2 H 1.662 0.02 2 264 534 26 ARG HG3 H 1.460 0.02 2 265 534 26 ARG CD C 42.934 0.40 1 266 534 26 ARG HD2 H 3.124 0.02 2 267 534 26 ARG C C 179.594 0.40 1 268 535 27 GLU N N 121.347 0.40 1 269 535 27 GLU H H 8.319 0.02 1 270 535 27 GLU CA C 58.532 0.40 1 271 535 27 GLU HA H 3.711 0.02 1 272 535 27 GLU CB C 29.177 0.40 1 273 535 27 GLU HB2 H 2.145 0.02 2 274 535 27 GLU HB3 H 1.148 0.02 2 275 535 27 GLU CG C 36.681 0.40 1 276 535 27 GLU HG2 H 2.185 0.02 2 277 535 27 GLU HG3 H 1.824 0.02 2 278 535 27 GLU C C 179.945 0.40 1 279 536 28 MET N N 120.214 0.40 1 280 536 28 MET H H 8.633 0.02 1 281 536 28 MET CA C 60.396 0.40 1 282 536 28 MET HA H 3.962 0.02 1 283 536 28 MET CB C 34.489 0.40 1 284 536 28 MET HB2 H 2.384 0.02 2 285 536 28 MET HB3 H 2.316 0.02 2 286 536 28 MET CG C 32.926 0.40 1 287 536 28 MET HG2 H 2.989 0.02 2 288 536 28 MET HG3 H 2.305 0.02 2 289 536 28 MET HE H 2.056 0.02 1 290 536 28 MET CE C 16.666 0.40 1 291 536 28 MET C C 177.361 0.40 1 292 537 29 LEU N N 118.596 0.40 1 293 537 29 LEU H H 8.715 0.02 1 294 537 29 LEU CA C 57.601 0.40 1 295 537 29 LEU HA H 3.970 0.02 1 296 537 29 LEU CB C 41.393 0.40 1 297 537 29 LEU HB2 H 1.956 0.02 2 298 537 29 LEU HB3 H 1.657 0.02 2 299 537 29 LEU CG C 27.001 0.40 1 300 537 29 LEU HG H 1.950 0.02 1 301 537 29 LEU HD1 H 1.249 0.02 2 302 537 29 LEU HD2 H 0.920 0.02 2 303 537 29 LEU CD1 C 23.240 0.40 2 304 537 29 LEU CD2 C 26.017 0.40 2 305 537 29 LEU C C 178.541 0.40 1 306 538 30 ALA N N 120.100 0.40 1 307 538 30 ALA H H 7.824 0.02 1 308 538 30 ALA CA C 54.481 0.40 1 309 538 30 ALA HA H 4.025 0.02 1 310 538 30 ALA HB H 1.306 0.02 1 311 538 30 ALA CB C 17.610 0.40 1 312 538 30 ALA C C 180.371 0.40 1 313 539 31 HIS N N 117.446 0.40 1 314 539 31 HIS H H 7.738 0.02 1 315 539 31 HIS CA C 59.163 0.40 1 316 539 31 HIS HA H 4.196 0.02 1 317 539 31 HIS CB C 29.190 0.40 1 318 539 31 HIS HB2 H 3.187 0.02 2 319 539 31 HIS HB3 H 2.748 0.02 2 320 539 31 HIS CD2 C 126.270 0.40 1 321 539 31 HIS HD2 H 6.463 0.02 1 322 539 31 HIS C C 179.164 0.40 1 323 540 32 ALA N N 124.070 0.40 1 324 540 32 ALA H H 8.988 0.02 1 325 540 32 ALA CA C 55.434 0.40 1 326 540 32 ALA HA H 3.655 0.02 1 327 540 32 ALA HB H 1.419 0.02 1 328 540 32 ALA CB C 18.255 0.40 1 329 540 32 ALA C C 180.800 0.40 1 330 541 33 GLU N N 121.015 0.40 1 331 541 33 GLU H H 8.851 0.02 1 332 541 33 GLU CA C 59.476 0.40 1 333 541 33 GLU HA H 3.684 0.02 1 334 541 33 GLU CB C 29.775 0.40 1 335 541 33 GLU HB2 H 2.121 0.02 2 336 541 33 GLU HB3 H 1.933 0.02 2 337 541 33 GLU CG C 36.886 0.40 1 338 541 33 GLU HG2 H 2.321 0.02 2 339 541 33 GLU HG3 H 2.065 0.02 2 340 541 33 GLU C C 178.476 0.40 1 341 542 34 GLU N N 116.851 0.40 1 342 542 34 GLU H H 7.632 0.02 1 343 542 34 GLU CA C 58.230 0.40 1 344 542 34 GLU HA H 3.984 0.02 1 345 542 34 GLU CB C 30.110 0.40 1 346 542 34 GLU HB2 H 2.047 0.02 2 347 542 34 GLU HB3 H 1.903 0.02 2 348 542 34 GLU CG C 35.731 0.40 1 349 542 34 GLU HG2 H 2.240 0.02 2 350 542 34 GLU HG3 H 2.129 0.02 2 351 542 34 GLU C C 178.209 0.40 1 352 543 35 THR N N 105.023 0.40 1 353 543 35 THR H H 7.577 0.02 1 354 543 35 THR CA C 61.952 0.40 1 355 543 35 THR HA H 4.105 0.02 1 356 543 35 THR CB C 70.549 0.40 1 357 543 35 THR HB H 3.996 0.02 1 358 543 35 THR HG2 H 0.769 0.02 1 359 543 35 THR CG2 C 20.725 0.40 1 360 543 35 THR C C 175.317 0.40 1 361 544 36 ARG N N 116.405 0.40 1 362 544 36 ARG H H 7.686 0.02 1 363 544 36 ARG CA C 55.993 0.40 1 364 544 36 ARG HA H 3.925 0.02 1 365 544 36 ARG CB C 24.869 0.40 1 366 544 36 ARG HB2 H 2.003 0.02 2 367 544 36 ARG HB3 H 1.954 0.02 2 368 544 36 ARG CG C 25.701 0.40 1 369 544 36 ARG HG2 H 1.582 0.02 2 370 544 36 ARG HG3 H 1.433 0.02 2 371 544 36 ARG CD C 41.590 0.40 1 372 544 36 ARG HD2 H 3.115 0.02 2 373 544 36 ARG HD3 H 3.014 0.02 2 374 544 36 ARG C C 175.204 0.40 1 375 545 37 LYS N N 117.732 0.40 1 376 545 37 LYS H H 6.947 0.02 1 377 545 37 LYS CA C 56.336 0.40 1 378 545 37 LYS HA H 4.142 0.02 1 379 545 37 LYS CB C 35.980 0.40 1 380 545 37 LYS HB2 H 1.654 0.02 2 381 545 37 LYS HB3 H 1.032 0.02 2 382 545 37 LYS CG C 26.679 0.40 1 383 545 37 LYS HG2 H 1.312 0.02 2 384 545 37 LYS HG3 H 1.008 0.02 2 385 545 37 LYS CD C 30.586 0.40 1 386 545 37 LYS HD2 H 1.308 0.02 2 387 545 37 LYS HD3 H 1.370 0.02 2 388 545 37 LYS CE C 41.990 0.40 1 389 545 37 LYS HE2 H 2.711 0.02 2 390 545 37 LYS C C 174.852 0.40 1 391 546 38 LEU N N 122.692 0.40 1 392 546 38 LEU H H 7.930 0.02 1 393 546 38 LEU CA C 54.168 0.40 1 394 546 38 LEU HA H 4.470 0.02 1 395 546 38 LEU CB C 43.225 0.40 1 396 546 38 LEU HB2 H 1.577 0.02 2 397 546 38 LEU HB3 H 1.326 0.02 2 398 546 38 LEU CG C 26.841 0.40 1 399 546 38 LEU HG H 1.126 0.02 1 400 546 38 LEU HD1 H 0.551 0.02 2 401 546 38 LEU HD2 H 0.627 0.02 2 402 546 38 LEU CD1 C 26.044 0.40 2 403 546 38 LEU CD2 C 24.659 0.40 2 404 546 38 LEU C C 175.727 0.40 1 405 547 39 MET N N 126.335 0.40 1 406 547 39 MET H H 8.802 0.02 1 407 547 39 MET CA C 51.671 0.40 1 408 547 39 MET HA H 5.732 0.02 1 409 547 39 MET CB C 34.788 0.40 1 410 547 39 MET HB2 H 1.962 0.02 2 411 547 39 MET HB3 H 1.154 0.02 2 412 547 39 MET CG C 32.293 0.40 1 413 547 39 MET HG2 H 2.303 0.02 2 414 547 39 MET HG3 H 2.696 0.02 2 415 547 39 MET HE H 2.024 0.02 1 416 547 39 MET CE C 19.500 0.40 1 417 548 40 PRO CD C 51.112 0.40 1 418 548 40 PRO CA C 61.050 0.40 1 419 548 40 PRO HA H 6.003 0.02 1 420 548 40 PRO CB C 31.880 0.40 1 421 548 40 PRO HB2 H 2.390 0.02 2 422 548 40 PRO HB3 H 2.340 0.02 2 423 548 40 PRO CG C 29.170 0.40 1 424 548 40 PRO HG2 H 1.990 0.02 2 425 548 40 PRO HG3 H 1.540 0.02 2 426 548 40 PRO HD2 H 4.011 0.02 2 427 548 40 PRO C C 176.238 0.40 1 428 549 41 ILE N N 126.335 0.40 1 429 549 41 ILE H H 9.044 0.02 1 430 549 41 ILE CA C 57.247 0.40 1 431 549 41 ILE HA H 4.279 0.02 1 432 549 41 ILE CB C 41.491 0.40 1 433 549 41 ILE HB H 1.774 0.02 1 434 549 41 ILE HG2 H 0.713 0.02 1 435 549 41 ILE CG2 C 18.745 0.40 1 436 549 41 ILE CG1 C 26.350 0.40 1 437 549 41 ILE HG12 H 1.610 0.02 2 438 549 41 ILE HG13 H 1.261 0.02 2 439 549 41 ILE HD1 H 0.873 0.02 1 440 549 41 ILE CD1 C 10.110 0.40 1 441 549 41 ILE C C 173.404 0.40 1 442 550 42 CYS N N 125.844 0.40 1 443 550 42 CYS H H 8.443 0.02 1 444 550 42 CYS CA C 56.658 0.40 1 445 550 42 CYS HA H 3.688 0.02 1 446 550 42 CYS CB C 27.605 0.40 1 447 550 42 CYS HB2 H 2.743 0.02 2 448 550 42 CYS HB3 H 2.652 0.02 2 449 550 42 CYS HG H 1.467 0.02 1 450 550 42 CYS C C 174.177 0.40 1 451 551 43 MET N N 127.408 0.40 1 452 551 43 MET H H 8.791 0.02 1 453 551 43 MET CA C 56.661 0.40 1 454 551 43 MET HA H 4.637 0.02 1 455 551 43 MET CB C 34.182 0.40 1 456 551 43 MET HB2 H 1.840 0.02 2 457 551 43 MET HB3 H 1.640 0.02 2 458 551 43 MET CG C 30.100 0.40 1 459 551 43 MET HG2 H 2.128 0.02 2 460 551 43 MET HG3 H 1.980 0.02 2 461 551 43 MET HE H 1.569 0.02 1 462 551 43 MET CE C 15.740 0.40 1 463 551 43 MET C C 174.610 0.40 1 464 552 44 ASP N N 117.092 0.40 1 465 552 44 ASP H H 7.298 0.02 1 466 552 44 ASP CA C 54.154 0.40 1 467 552 44 ASP HA H 4.557 0.02 1 468 552 44 ASP CB C 41.675 0.40 1 469 552 44 ASP HB2 H 2.887 0.02 2 470 552 44 ASP HB3 H 2.324 0.02 2 471 552 44 ASP C C 175.383 0.40 1 472 553 45 VAL N N 120.523 0.40 1 473 553 45 VAL H H 7.248 0.02 1 474 553 45 VAL CA C 61.655 0.40 1 475 553 45 VAL HA H 4.048 0.02 1 476 553 45 VAL CB C 29.969 0.40 1 477 553 45 VAL HB H 2.217 0.02 1 478 553 45 VAL HG1 H 0.979 0.02 2 479 553 45 VAL HG2 H 0.859 0.02 2 480 553 45 VAL CG1 C 21.970 0.40 2 481 553 45 VAL CG2 C 20.612 0.40 2 482 553 45 VAL C C 175.726 0.40 1 483 554 46 ARG N N 130.468 0.40 1 484 554 46 ARG H H 8.427 0.02 1 485 554 46 ARG CA C 59.475 0.40 1 486 554 46 ARG HA H 3.789 0.02 1 487 554 46 ARG CB C 29.534 0.40 1 488 554 46 ARG HB2 H 1.762 0.02 2 489 554 46 ARG CG C 26.877 0.40 1 490 554 46 ARG HG2 H 1.579 0.02 2 491 554 46 ARG CD C 42.922 0.40 1 492 554 46 ARG HD2 H 3.128 0.02 2 493 554 46 ARG C C 178.816 0.40 1 494 555 47 ALA N N 119.780 0.40 1 495 555 47 ALA H H 9.108 0.02 1 496 555 47 ALA CA C 54.786 0.40 1 497 555 47 ALA HA H 4.081 0.02 1 498 555 47 ALA HB H 1.358 0.02 1 499 555 47 ALA CB C 18.281 0.40 1 500 555 47 ALA C C 180.713 0.40 1 501 556 48 ILE N N 116.142 0.40 1 502 556 48 ILE H H 6.620 0.02 1 503 556 48 ILE CA C 63.851 0.40 1 504 556 48 ILE HA H 3.735 0.02 1 505 556 48 ILE CB C 38.217 0.40 1 506 556 48 ILE HB H 1.760 0.02 1 507 556 48 ILE HG2 H 0.950 0.02 1 508 556 48 ILE CG2 C 17.599 0.40 1 509 556 48 ILE CG1 C 28.537 0.40 1 510 556 48 ILE HG12 H 1.670 0.02 2 511 556 48 ILE HG13 H 1.140 0.02 2 512 556 48 ILE HD1 H 0.950 0.02 1 513 556 48 ILE CD1 C 13.230 0.40 1 514 556 48 ILE C C 177.537 0.40 1 515 557 49 MET N N 117.972 0.40 1 516 557 49 MET H H 7.627 0.02 1 517 557 49 MET CA C 55.731 0.40 1 518 557 49 MET HA H 4.242 0.02 1 519 557 49 MET CB C 29.487 0.40 1 520 557 49 MET HB2 H 1.760 0.02 2 521 557 49 MET HB3 H 1.917 0.02 2 522 557 49 MET CG C 31.647 0.40 1 523 557 49 MET HG2 H 2.601 0.02 2 524 557 49 MET HG3 H 2.291 0.02 2 525 557 49 MET HE H 1.522 0.02 1 526 557 49 MET CE C 16.331 0.40 1 527 557 49 MET C C 178.734 0.40 1 528 558 50 ALA N N 121.530 0.40 1 529 558 50 ALA H H 8.436 0.02 1 530 558 50 ALA CA C 54.788 0.40 1 531 558 50 ALA HA H 4.084 0.02 1 532 558 50 ALA HB H 1.366 0.02 1 533 558 50 ALA CB C 17.616 0.40 1 534 558 50 ALA C C 180.629 0.40 1 535 559 51 THR N N 115.776 0.40 1 536 559 51 THR H H 7.296 0.02 1 537 559 51 THR CA C 66.362 0.40 1 538 559 51 THR HA H 3.854 0.02 1 539 559 51 THR CB C 68.541 0.40 1 540 559 51 THR HB H 4.089 0.02 1 541 559 51 THR HG2 H 1.117 0.02 1 542 559 51 THR CG2 C 21.358 0.40 1 543 559 51 THR C C 176.416 0.40 1 544 560 52 ILE N N 121.805 0.40 1 545 560 52 ILE H H 8.106 0.02 1 546 560 52 ILE CA C 65.702 0.40 1 547 560 52 ILE HA H 3.698 0.02 1 548 560 52 ILE CB C 38.015 0.40 1 549 560 52 ILE HB H 1.953 0.02 1 550 560 52 ILE HG2 H 0.788 0.02 1 551 560 52 ILE CG2 C 17.308 0.40 1 552 560 52 ILE CG1 C 29.710 0.40 1 553 560 52 ILE HG12 H 1.788 0.02 2 554 560 52 ILE HG13 H 1.292 0.02 2 555 560 52 ILE HD1 H 0.794 0.02 1 556 560 52 ILE CD1 C 14.489 0.40 1 557 560 52 ILE C C 176.931 0.40 1 558 561 53 GLN N N 116.211 0.40 1 559 561 53 GLN H H 8.420 0.02 1 560 561 53 GLN CA C 58.530 0.40 1 561 561 53 GLN HA H 3.809 0.02 1 562 561 53 GLN CB C 29.171 0.40 1 563 561 53 GLN HB2 H 2.020 0.02 2 564 561 53 GLN HB3 H 1.990 0.02 2 565 561 53 GLN CG C 35.734 0.40 1 566 561 53 GLN HG2 H 2.329 0.02 2 567 561 53 GLN HG3 H 2.037 0.02 2 568 561 53 GLN NE2 N 112.371 0.40 1 569 561 53 GLN HE21 H 7.670 0.02 2 570 561 53 GLN HE22 H 6.694 0.02 2 571 561 53 GLN C C 177.123 0.40 1 572 562 54 ARG N N 116.405 0.40 1 573 562 54 ARG H H 7.333 0.02 1 574 562 54 ARG CA C 57.598 0.40 1 575 562 54 ARG HA H 4.087 0.02 1 576 562 54 ARG CB C 30.433 0.40 1 577 562 54 ARG HB2 H 1.825 0.02 2 578 562 54 ARG CG C 27.553 0.40 1 579 562 54 ARG HG2 H 1.543 0.02 2 580 562 54 ARG CD C 42.935 0.40 1 581 562 54 ARG HD2 H 3.126 0.02 2 582 562 54 ARG C C 177.183 0.40 1 583 563 55 LYS N N 118.590 0.40 1 584 563 55 LYS H H 7.792 0.02 1 585 563 55 LYS CA C 57.596 0.40 1 586 563 55 LYS HA H 3.921 0.02 1 587 563 55 LYS CB C 33.216 0.40 1 588 563 55 LYS HB2 H 1.542 0.02 2 589 563 55 LYS HB3 H 1.335 0.02 2 590 563 55 LYS CG C 24.777 0.40 1 591 563 55 LYS HG2 H 0.969 0.02 2 592 563 55 LYS HG3 H 0.628 0.02 2 593 563 55 LYS CD C 30.338 0.40 1 594 563 55 LYS HD2 H 1.825 0.02 2 595 563 55 LYS CE C 41.716 0.40 1 596 563 55 LYS HE2 H 2.844 0.02 2 597 563 55 LYS C C 176.732 0.40 1 598 564 56 TYR N N 121.095 0.40 1 599 564 56 TYR H H 8.202 0.02 1 600 564 56 TYR CA C 55.417 0.40 1 601 564 56 TYR HA H 4.794 0.02 1 602 564 56 TYR CB C 35.965 0.40 1 603 564 56 TYR HB2 H 3.112 0.02 2 604 564 56 TYR HB3 H 3.036 0.02 2 605 564 56 TYR HD1 H 7.440 0.02 3 606 564 56 TYR HE1 H 6.786 0.02 3 607 564 56 TYR CD1 C 133.800 0.40 3 608 564 56 TYR CE1 C 117.224 0.40 3 609 564 56 TYR C C 174.343 0.40 1 610 565 57 LYS N N 119.334 0.40 1 611 565 57 LYS H H 7.218 0.02 1 612 565 57 LYS CA C 57.933 0.40 1 613 565 57 LYS HA H 4.081 0.02 1 614 565 57 LYS CB C 31.996 0.40 1 615 565 57 LYS HB2 H 1.714 0.02 2 616 565 57 LYS HB3 H 1.753 0.02 2 617 565 57 LYS CG C 24.495 0.40 1 618 565 57 LYS HG2 H 1.452 0.02 2 619 565 57 LYS HG3 H 1.367 0.02 2 620 565 57 LYS CD C 29.362 0.40 1 621 565 57 LYS HD2 H 1.766 0.02 2 622 565 57 LYS CE C 41.965 0.40 1 623 565 57 LYS HE2 H 2.974 0.02 2 624 565 57 LYS C C 179.079 0.40 1 625 566 58 GLY N N 114.884 0.40 1 626 566 58 GLY H H 9.154 0.02 1 627 566 58 GLY CA C 44.790 0.40 1 628 566 58 GLY HA2 H 3.604 0.02 2 629 566 58 GLY HA3 H 4.252 0.02 2 630 566 58 GLY C C 173.987 0.40 1 631 567 59 ILE N N 122.415 0.40 1 632 567 59 ILE H H 7.601 0.02 1 633 567 59 ILE CA C 61.665 0.40 1 634 567 59 ILE HA H 2.521 0.02 1 635 567 59 ILE CB C 38.236 0.40 1 636 567 59 ILE HB H 1.815 0.02 1 637 567 59 ILE HG2 H 0.900 0.02 1 638 567 59 ILE CG2 C 15.110 0.40 1 639 567 59 ILE CG1 C 28.864 0.40 1 640 567 59 ILE HG12 H 1.091 0.02 2 641 567 59 ILE HG13 H 0.680 0.02 2 642 567 59 ILE HD1 H 0.744 0.02 1 643 567 59 ILE CD1 C 15.109 0.40 1 644 567 59 ILE C C 172.890 0.40 1 645 568 60 LYS N N 128.600 0.40 1 646 568 60 LYS H H 7.736 0.02 1 647 568 60 LYS CA C 53.839 0.40 1 648 568 60 LYS HA H 4.300 0.02 1 649 568 60 LYS CB C 31.669 0.40 1 650 568 60 LYS HB2 H 1.593 0.02 2 651 568 60 LYS HB3 H 1.508 0.02 2 652 568 60 LYS CG C 24.797 0.40 1 653 568 60 LYS HG2 H 1.063 0.02 2 654 568 60 LYS CD C 28.560 0.40 1 655 568 60 LYS HD2 H 1.524 0.02 2 656 568 60 LYS CE C 41.981 0.40 1 657 568 60 LYS HE2 H 2.860 0.02 2 658 568 60 LYS C C 174.769 0.40 1 659 569 61 ILE N N 124.348 0.40 1 660 569 61 ILE H H 8.073 0.02 1 661 569 61 ILE CA C 61.366 0.40 1 662 569 61 ILE HA H 3.164 0.02 1 663 569 61 ILE CB C 36.374 0.40 1 664 569 61 ILE HB H 1.307 0.02 1 665 569 61 ILE HG2 H -0.223 0.02 1 666 569 61 ILE CG2 C 16.661 0.40 1 667 569 61 ILE CG1 C 26.677 0.40 1 668 569 61 ILE HG12 H 1.004 0.02 2 669 569 61 ILE HG13 H 0.622 0.02 2 670 569 61 ILE HD1 H 0.240 0.02 1 671 569 61 ILE CD1 C 12.558 0.40 1 672 569 61 ILE C C 174.954 0.40 1 673 570 62 GLN N N 122.666 0.40 1 674 570 62 GLN H H 6.700 0.02 1 675 570 62 GLN CA C 52.913 0.40 1 676 570 62 GLN HA H 4.199 0.02 1 677 570 62 GLN CB C 31.048 0.40 1 678 570 62 GLN HB2 H 2.026 0.02 2 679 570 62 GLN HB3 H 1.765 0.02 2 680 570 62 GLN CG C 31.698 0.40 1 681 570 62 GLN HG2 H 2.010 0.02 2 682 570 62 GLN HG3 H 1.955 0.02 2 683 570 62 GLN NE2 N 110.493 0.40 1 684 570 62 GLN HE21 H 6.905 0.02 2 685 570 62 GLN HE22 H 6.700 0.02 2 686 570 62 GLN C C 171.954 0.40 1 687 571 63 GLU N N 116.508 0.40 1 688 571 63 GLU H H 8.222 0.02 1 689 571 63 GLU CA C 57.601 0.40 1 690 571 63 GLU HA H 3.727 0.02 1 691 571 63 GLU CB C 30.747 0.40 1 692 571 63 GLU HB2 H 1.978 0.02 2 693 571 63 GLU HB3 H 1.740 0.02 2 694 571 63 GLU CG C 37.936 0.40 1 695 571 63 GLU HG2 H 2.131 0.02 2 696 571 63 GLU C C 177.383 0.40 1 697 572 64 GLY N N 111.395 0.40 1 698 572 64 GLY H H 8.960 0.02 1 699 572 64 GLY CA C 43.247 0.40 1 700 572 64 GLY HA2 H 2.804 0.02 2 701 572 64 GLY HA3 H 4.198 0.02 2 702 572 64 GLY C C 173.131 0.40 1 703 573 65 ILE N N 120.455 0.40 1 704 573 65 ILE H H 8.402 0.02 1 705 573 65 ILE CA C 61.039 0.40 1 706 573 65 ILE HA H 4.910 0.02 1 707 573 65 ILE CB C 37.920 0.40 1 708 573 65 ILE HB H 1.766 0.02 1 709 573 65 ILE HG2 H 0.765 0.02 1 710 573 65 ILE CG2 C 16.000 0.40 1 711 573 65 ILE CG1 C 28.540 0.40 1 712 573 65 ILE HG12 H 1.837 0.02 2 713 573 65 ILE HG13 H 1.174 0.02 2 714 573 65 ILE HD1 H 0.935 0.02 1 715 573 65 ILE CD1 C 13.230 0.40 1 716 573 65 ILE C C 177.952 0.40 1 717 574 66 VAL N N 131.435 0.40 1 718 574 66 VAL H H 8.906 0.02 1 719 574 66 VAL CA C 62.183 0.40 1 720 574 66 VAL HA H 4.071 0.02 1 721 574 66 VAL CB C 35.729 0.40 1 722 574 66 VAL HB H 2.216 0.02 1 723 574 66 VAL HG1 H 1.172 0.02 2 724 574 66 VAL HG2 H 1.058 0.02 2 725 574 66 VAL CG1 C 22.619 0.40 2 726 574 66 VAL CG2 C 20.730 0.40 2 727 574 66 VAL C C 172.888 0.40 1 728 575 67 ASP N N 126.415 0.40 1 729 575 67 ASP H H 8.742 0.02 1 730 575 67 ASP CA C 51.960 0.40 1 731 575 67 ASP HA H 4.947 0.02 1 732 575 67 ASP CB C 40.420 0.40 1 733 575 67 ASP HB2 H 2.997 0.02 2 734 575 67 ASP HB3 H 2.117 0.02 2 735 575 67 ASP C C 175.214 0.40 1 736 576 68 TYR N N 131.038 0.40 1 737 576 68 TYR H H 8.635 0.02 1 738 576 68 TYR CA C 57.455 0.40 1 739 576 68 TYR HA H 4.401 0.02 1 740 576 68 TYR CB C 38.541 0.40 1 741 576 68 TYR HB2 H 3.223 0.02 2 742 576 68 TYR HB3 H 2.593 0.02 2 743 576 68 TYR HD1 H 7.195 0.02 3 744 576 68 TYR HE1 H 6.625 0.02 3 745 576 68 TYR CD1 C 133.299 0.40 3 746 576 68 TYR CE1 C 117.767 0.40 3 747 576 68 TYR C C 174.096 0.40 1 748 577 69 GLY N N 115.627 0.40 1 749 577 69 GLY H H 8.392 0.02 1 750 577 69 GLY CA C 46.344 0.40 1 751 577 69 GLY HA2 H 3.051 0.02 2 752 577 69 GLY HA3 H 4.302 0.02 2 753 577 69 GLY C C 175.468 0.40 1 754 578 70 VAL N N 124.891 0.40 1 755 578 70 VAL H H 7.140 0.02 1 756 578 70 VAL CA C 60.102 0.40 1 757 578 70 VAL HA H 3.401 0.02 1 758 578 70 VAL CB C 34.809 0.40 1 759 578 70 VAL HB H 0.596 0.02 1 760 578 70 VAL HG1 H 0.523 0.02 2 761 578 70 VAL HG2 H -0.194 0.02 2 762 578 70 VAL CG1 C 24.153 0.40 2 763 578 70 VAL CG2 C 21.387 0.40 2 764 579 71 ARG N N 124.729 0.40 1 765 579 71 ARG H H 8.117 0.02 1 766 579 71 ARG CA C 55.058 0.40 1 767 579 71 ARG HA H 4.233 0.02 1 768 579 71 ARG CB C 28.896 0.40 1 769 579 71 ARG HB2 H 1.377 0.02 2 770 579 71 ARG HB3 H 1.265 0.02 2 771 579 71 ARG CG C 27.929 0.40 1 772 579 71 ARG HG2 H 1.097 0.02 2 773 579 71 ARG HG3 H 1.271 0.02 2 774 579 71 ARG CD C 42.947 0.40 1 775 579 71 ARG HD2 H 3.052 0.02 2 776 579 71 ARG HD3 H 2.826 0.02 2 777 579 71 ARG C C 172.720 0.40 1 778 580 72 PHE N N 124.070 0.40 1 779 580 72 PHE H H 8.497 0.02 1 780 580 72 PHE CA C 57.580 0.40 1 781 580 72 PHE HA H 4.630 0.02 1 782 580 72 PHE CB C 41.982 0.40 1 783 580 72 PHE HB2 H 2.340 0.02 2 784 580 72 PHE HB3 H 1.460 0.02 2 785 580 72 PHE HD1 H 7.018 0.02 3 786 580 72 PHE HE1 H 6.944 0.02 3 787 580 72 PHE CD1 C 132.571 0.40 3 788 580 72 PHE CE1 C 130.970 0.40 3 789 580 72 PHE CZ C 128.800 0.40 1 790 580 72 PHE HZ H 6.730 0.02 1 791 580 72 PHE C C 175.552 0.40 1 792 581 73 PHE N N 119.700 0.40 1 793 581 73 PHE H H 7.683 0.02 1 794 581 73 PHE CA C 56.659 0.40 1 795 581 73 PHE HA H 4.689 0.02 1 796 581 73 PHE CB C 41.021 0.40 1 797 581 73 PHE HB2 H 2.668 0.02 2 798 581 73 PHE HB3 H 2.476 0.02 2 799 581 73 PHE HD1 H 7.005 0.02 3 800 581 73 PHE HE1 H 7.232 0.02 3 801 581 73 PHE CD1 C 131.364 0.40 3 802 581 73 PHE CE1 C 131.039 0.40 3 803 581 73 PHE C C 174.602 0.40 1 804 582 74 PHE N N 127.077 0.40 1 805 582 74 PHE H H 8.907 0.02 1 806 582 74 PHE CA C 57.301 0.40 1 807 582 74 PHE HA H 5.559 0.02 1 808 582 74 PHE CB C 39.471 0.40 1 809 582 74 PHE HB2 H 3.484 0.02 2 810 582 74 PHE HB3 H 2.877 0.02 2 811 582 74 PHE HD1 H 7.335 0.02 3 812 582 74 PHE HE1 H 6.695 0.02 3 813 582 74 PHE CD1 C 131.829 0.40 3 814 582 74 PHE CE1 C 130.170 0.40 3 815 582 74 PHE CZ C 128.868 0.40 1 816 582 74 PHE HZ H 5.980 0.02 1 817 582 74 PHE C C 176.850 0.40 1 818 583 75 TYR N N 119.105 0.40 1 819 583 75 TYR H H 8.442 0.02 1 820 583 75 TYR CA C 54.173 0.40 1 821 583 75 TYR HA H 5.297 0.02 1 822 583 75 TYR CB C 41.354 0.40 1 823 583 75 TYR HB2 H 3.237 0.02 2 824 583 75 TYR HB3 H 2.804 0.02 2 825 583 75 TYR HD1 H 7.285 0.02 3 826 583 75 TYR HE1 H 6.460 0.02 3 827 583 75 TYR CD1 C 135.020 0.40 3 828 583 75 TYR CE1 C 116.200 0.40 3 829 583 75 TYR C C 173.923 0.40 1 830 584 76 THR N N 113.339 0.40 1 831 584 76 THR H H 9.451 0.02 1 832 584 76 THR CA C 59.781 0.40 1 833 584 76 THR HA H 4.680 0.02 1 834 584 76 THR CB C 71.031 0.40 1 835 584 76 THR HB H 4.600 0.02 1 836 584 76 THR HG2 H 1.187 0.02 1 837 584 76 THR CG2 C 21.371 0.40 1 838 584 76 THR C C 174.864 0.40 1 839 585 77 SER N N 114.071 0.40 1 840 585 77 SER H H 9.094 0.02 1 841 585 77 SER CA C 59.662 0.40 1 842 585 77 SER HA H 4.685 0.02 1 843 585 77 SER CB C 62.596 0.40 1 844 585 77 SER HB2 H 3.590 0.02 2 845 585 77 SER HB3 H 3.377 0.02 2 846 585 77 SER C C 173.581 0.40 1 847 586 78 LYS N N 118.201 0.40 1 848 586 78 LYS H H 7.495 0.02 1 849 586 78 LYS CA C 55.721 0.40 1 850 586 78 LYS HA H 4.071 0.02 1 851 586 78 LYS CB C 32.616 0.40 1 852 586 78 LYS HB2 H 1.780 0.02 2 853 586 78 LYS HB3 H 1.583 0.02 2 854 586 78 LYS CG C 24.742 0.40 1 855 586 78 LYS HG2 H 1.351 0.02 2 856 586 78 LYS HG3 H 1.316 0.02 2 857 586 78 LYS CD C 28.552 0.40 1 858 586 78 LYS HD2 H 1.532 0.02 2 859 586 78 LYS CE C 41.936 0.40 1 860 586 78 LYS HE2 H 2.898 0.02 2 861 586 78 LYS C C 176.843 0.40 1 862 587 79 GLU N N 124.719 0.40 1 863 587 79 GLU H H 7.192 0.02 1 864 587 79 GLU CA C 53.227 0.40 1 865 587 79 GLU HA H 4.579 0.02 1 866 587 79 GLU CB C 30.427 0.40 1 867 587 79 GLU HB2 H 2.045 0.02 2 868 587 79 GLU CG C 35.740 0.40 1 869 587 79 GLU HG2 H 2.465 0.02 2 870 587 79 GLU HG3 H 2.336 0.02 2 871 588 80 PRO CD C 50.514 0.40 1 872 588 80 PRO CA C 62.287 0.40 1 873 588 80 PRO HA H 4.499 0.02 1 874 588 80 PRO CB C 32.291 0.40 1 875 588 80 PRO HB2 H 2.469 0.02 2 876 588 80 PRO HB3 H 1.830 0.02 2 877 588 80 PRO CG C 27.925 0.40 1 878 588 80 PRO HG2 H 2.036 0.02 2 879 588 80 PRO HG3 H 2.127 0.02 2 880 588 80 PRO HD2 H 4.117 0.02 2 881 588 80 PRO HD3 H 3.617 0.02 2 882 588 80 PRO C C 178.135 0.40 1 883 589 81 VAL N N 123.156 0.40 1 884 589 81 VAL H H 8.536 0.02 1 885 589 81 VAL CA C 66.349 0.40 1 886 589 81 VAL HA H 3.126 0.02 1 887 589 81 VAL CB C 30.976 0.40 1 888 589 81 VAL HB H 1.813 0.02 1 889 589 81 VAL HG1 H 0.559 0.02 2 890 589 81 VAL HG2 H 0.430 0.02 2 891 589 81 VAL CG1 C 21.372 0.40 2 892 589 81 VAL CG2 C 21.650 0.40 2 893 589 81 VAL C C 177.361 0.40 1 894 590 82 ALA N N 118.739 0.40 1 895 590 82 ALA H H 8.700 0.02 1 896 590 82 ALA CA C 54.615 0.40 1 897 590 82 ALA HA H 3.948 0.02 1 898 590 82 ALA HB H 1.311 0.02 1 899 590 82 ALA CB C 17.969 0.40 1 900 590 82 ALA C C 180.540 0.40 1 901 591 83 SER N N 111.360 0.40 1 902 591 83 SER H H 6.955 0.02 1 903 591 83 SER CA C 59.783 0.40 1 904 591 83 SER HA H 4.188 0.02 1 905 591 83 SER CB C 61.813 0.40 1 906 591 83 SER HB2 H 4.274 0.02 2 907 591 83 SER HB3 H 3.901 0.02 2 908 591 83 SER C C 176.590 0.40 1 909 592 84 ILE N N 122.362 0.40 1 910 592 84 ILE H H 7.384 0.02 1 911 592 84 ILE CA C 65.099 0.40 1 912 592 84 ILE HA H 3.359 0.02 1 913 592 84 ILE CB C 38.243 0.40 1 914 592 84 ILE HB H 1.496 0.02 1 915 592 84 ILE HG2 H 0.445 0.02 1 916 592 84 ILE CG2 C 15.418 0.40 1 917 592 84 ILE CG1 C 28.228 0.40 1 918 592 84 ILE HG12 H 1.494 0.02 2 919 592 84 ILE HG13 H 0.654 0.02 2 920 592 84 ILE HD1 H 0.276 0.02 1 921 592 84 ILE CD1 C 16.677 0.40 1 922 592 84 ILE C C 177.701 0.40 1 923 593 85 ILE N N 117.721 0.40 1 924 593 85 ILE H H 8.309 0.02 1 925 593 85 ILE CA C 64.784 0.40 1 926 593 85 ILE HA H 3.248 0.02 1 927 593 85 ILE CB C 36.659 0.40 1 928 593 85 ILE HB H 1.709 0.02 1 929 593 85 ILE HG2 H 0.626 0.02 1 930 593 85 ILE CG2 C 16.380 0.40 1 931 593 85 ILE CG1 C 29.813 0.40 1 932 593 85 ILE HG12 H 1.408 0.02 2 933 593 85 ILE HG13 H 0.877 0.02 2 934 593 85 ILE HD1 H 0.524 0.02 1 935 593 85 ILE CD1 C 12.325 0.40 1 936 593 85 ILE C C 177.530 0.40 1 937 594 86 THR N N 117.059 0.40 1 938 594 86 THR H H 7.823 0.02 1 939 594 86 THR CA C 67.909 0.40 1 940 594 86 THR HA H 4.306 0.02 1 941 594 86 THR CB C 68.795 0.40 1 942 594 86 THR HB H 3.845 0.02 1 943 594 86 THR HG2 H 1.180 0.02 1 944 594 86 THR CG2 C 21.353 0.40 1 945 594 86 THR C C 177.039 0.40 1 946 595 87 LYS N N 122.600 0.40 1 947 595 87 LYS H H 7.813 0.02 1 948 595 87 LYS CA C 59.557 0.40 1 949 595 87 LYS HA H 3.926 0.02 1 950 595 87 LYS CB C 32.318 0.40 1 951 595 87 LYS HB2 H 1.976 0.02 2 952 595 87 LYS HB3 H 1.705 0.02 2 953 595 87 LYS CG C 25.723 0.40 1 954 595 87 LYS HG2 H 1.584 0.02 2 955 595 87 LYS HG3 H 1.435 0.02 2 956 595 87 LYS CD C 30.110 0.40 1 957 595 87 LYS HD2 H 1.782 0.02 2 958 595 87 LYS HD3 H 1.752 0.02 2 959 595 87 LYS CE C 41.957 0.40 1 960 595 87 LYS HE2 H 2.967 0.02 2 961 595 87 LYS HE3 H 2.779 0.02 2 962 595 87 LYS C C 179.679 0.40 1 963 596 88 LEU N N 119.505 0.40 1 964 596 88 LEU H H 8.095 0.02 1 965 596 88 LEU CA C 56.966 0.40 1 966 596 88 LEU HA H 3.674 0.02 1 967 596 88 LEU CB C 41.039 0.40 1 968 596 88 LEU HB2 H 1.639 0.02 2 969 596 88 LEU HB3 H 0.914 0.02 2 970 596 88 LEU CG C 25.738 0.40 1 971 596 88 LEU HG H 1.395 0.02 1 972 596 88 LEU HD1 H 0.416 0.02 2 973 596 88 LEU HD2 H -0.061 0.02 2 974 596 88 LEU CD1 C 25.731 0.40 2 975 596 88 LEU CD2 C 20.753 0.40 2 976 596 88 LEU C C 180.455 0.40 1 977 597 89 ASN N N 121.004 0.40 1 978 597 89 ASN H H 8.945 0.02 1 979 597 89 ASN CA C 54.465 0.40 1 980 597 89 ASN HA H 4.471 0.02 1 981 597 89 ASN CB C 36.990 0.40 1 982 597 89 ASN HB2 H 3.005 0.02 2 983 597 89 ASN HB3 H 2.661 0.02 2 984 597 89 ASN ND2 N 108.978 0.40 1 985 597 89 ASN HD21 H 7.659 0.02 2 986 597 89 ASN HD22 H 7.057 0.02 2 987 597 89 ASN C C 178.392 0.40 1 988 598 90 SER N N 116.600 0.40 1 989 598 90 SER H H 7.923 0.02 1 990 598 90 SER CA C 60.698 0.40 1 991 598 90 SER HA H 4.132 0.02 1 992 598 90 SER CB C 62.286 0.40 1 993 598 90 SER HB2 H 3.937 0.02 2 994 598 90 SER HB3 H 3.895 0.02 2 995 598 90 SER C C 176.159 0.40 1 996 599 91 LEU N N 121.221 0.40 1 997 599 91 LEU H H 7.545 0.02 1 998 599 91 LEU CA C 56.968 0.40 1 999 599 91 LEU HA H 3.967 0.02 1 1000 599 91 LEU CB C 41.666 0.40 1 1001 599 91 LEU HB2 H 1.783 0.02 2 1002 599 91 LEU HB3 H 1.345 0.02 2 1003 599 91 LEU CG C 26.682 0.40 1 1004 599 91 LEU HG H 1.657 0.02 1 1005 599 91 LEU HD1 H 0.636 0.02 2 1006 599 91 LEU HD2 H 0.819 0.02 2 1007 599 91 LEU CD1 C 25.734 0.40 2 1008 599 91 LEU CD2 C 22.632 0.40 2 1009 599 91 LEU C C 178.136 0.40 1 1010 600 92 ASN N N 113.191 0.40 1 1011 600 92 ASN H H 7.745 0.02 1 1012 600 92 ASN CA C 53.232 0.40 1 1013 600 92 ASN HA H 4.114 0.02 1 1014 600 92 ASN CB C 37.596 0.40 1 1015 600 92 ASN HB2 H 3.116 0.02 2 1016 600 92 ASN HB3 H 2.283 0.02 2 1017 600 92 ASN ND2 N 109.412 0.40 1 1018 600 92 ASN HD21 H 7.407 0.02 2 1019 600 92 ASN HD22 H 6.460 0.02 2 1020 600 92 ASN C C 173.421 0.40 1 1021 601 93 GLU N N 118.693 0.40 1 1022 601 93 GLU H H 8.393 0.02 1 1023 601 93 GLU CA C 53.415 0.40 1 1024 601 93 GLU HA H 4.675 0.02 1 1025 601 93 GLU CB C 30.439 0.40 1 1026 601 93 GLU HB2 H 1.984 0.02 2 1027 601 93 GLU HB3 H 1.683 0.02 2 1028 601 93 GLU CG C 36.356 0.40 1 1029 601 93 GLU HG2 H 1.985 0.02 2 1030 601 93 GLU HG3 H 2.039 0.02 2 1031 602 94 PRO CD C 49.777 0.40 1 1032 602 94 PRO CA C 61.957 0.40 1 1033 602 94 PRO HA H 4.778 0.02 1 1034 602 94 PRO CB C 32.142 0.40 1 1035 602 94 PRO HB2 H 2.174 0.02 2 1036 602 94 PRO HB3 H 1.764 0.02 2 1037 602 94 PRO CG C 27.882 0.40 1 1038 602 94 PRO HG2 H 2.106 0.02 2 1039 602 94 PRO HG3 H 1.924 0.02 2 1040 602 94 PRO HD2 H 3.762 0.02 2 1041 602 94 PRO HD3 H 3.681 0.02 2 1042 602 94 PRO C C 176.504 0.40 1 1043 603 95 LEU N N 118.441 0.40 1 1044 603 95 LEU H H 8.497 0.02 1 1045 603 95 LEU CA C 53.228 0.40 1 1046 603 95 LEU HA H 5.772 0.02 1 1047 603 95 LEU CB C 47.903 0.40 1 1048 603 95 LEU HB2 H 1.548 0.02 2 1049 603 95 LEU HB3 H 1.220 0.02 2 1050 603 95 LEU CG C 25.725 0.40 1 1051 603 95 LEU HG H 1.995 0.02 1 1052 603 95 LEU HD1 H 0.709 0.02 2 1053 603 95 LEU HD2 H 0.752 0.02 2 1054 603 95 LEU CD1 C 28.271 0.40 2 1055 603 95 LEU CD2 C 26.360 0.40 2 1056 603 95 LEU C C 178.049 0.40 1 1057 604 96 VAL N N 121.244 0.40 1 1058 604 96 VAL H H 8.389 0.02 1 1059 604 96 VAL CA C 59.470 0.40 1 1060 604 96 VAL HA H 5.082 0.02 1 1061 604 96 VAL CB C 33.939 0.40 1 1062 604 96 VAL HB H 1.977 0.02 1 1063 604 96 VAL HG1 H 1.017 0.02 2 1064 604 96 VAL HG2 H 1.067 0.02 2 1065 604 96 VAL CG1 C 21.996 0.40 2 1066 604 96 VAL CG2 C 19.485 0.40 2 1067 604 96 VAL C C 172.801 0.40 1 1068 605 97 THR N N 117.618 0.40 1 1069 605 97 THR H H 8.614 0.02 1 1070 605 97 THR CA C 59.463 0.40 1 1071 605 97 THR HA H 5.104 0.02 1 1072 605 97 THR CB C 71.288 0.40 1 1073 605 97 THR HB H 3.501 0.02 1 1074 605 97 THR HG2 H 0.810 0.02 1 1075 605 97 THR CG2 C 19.797 0.40 1 1076 605 97 THR C C 172.889 0.40 1 1077 606 98 MET N N 125.037 0.40 1 1078 606 98 MET H H 8.237 0.02 1 1079 606 98 MET CA C 55.146 0.40 1 1080 606 98 MET HA H 5.273 0.02 1 1081 606 98 MET CB C 31.400 0.40 1 1082 606 98 MET HB2 H 2.225 0.02 2 1083 606 98 MET HB3 H 1.912 0.02 2 1084 606 98 MET CG C 33.220 0.40 1 1085 606 98 MET HG2 H 2.866 0.02 2 1086 606 98 MET HG3 H 2.543 0.02 2 1087 606 98 MET HE H 2.150 0.02 1 1088 606 98 MET CE C 17.290 0.40 1 1089 607 99 PRO CD C 49.078 0.40 1 1090 607 99 PRO CA C 63.510 0.40 1 1091 607 99 PRO HA H 4.048 0.02 1 1092 607 99 PRO CB C 31.059 0.40 1 1093 607 99 PRO HB2 H 2.024 0.02 2 1094 607 99 PRO HB3 H 1.769 0.02 2 1095 607 99 PRO CG C 28.548 0.40 1 1096 607 99 PRO HG2 H 1.531 0.02 2 1097 607 99 PRO HG3 H 1.172 0.02 2 1098 607 99 PRO HD2 H 3.960 0.02 2 1099 607 99 PRO HD3 H 3.348 0.02 2 1100 607 99 PRO C C 176.761 0.40 1 1101 608 100 ILE N N 133.077 0.40 1 1102 608 100 ILE H H 8.362 0.02 1 1103 608 100 ILE CA C 63.219 0.40 1 1104 608 100 ILE HA H 3.422 0.02 1 1105 608 100 ILE CB C 35.753 0.40 1 1106 608 100 ILE HB H 1.656 0.02 1 1107 608 100 ILE HG2 H 0.411 0.02 1 1108 608 100 ILE CG2 C 16.978 0.40 1 1109 608 100 ILE CG1 C 27.921 0.40 1 1110 608 100 ILE HG12 H 1.488 0.02 2 1111 608 100 ILE HG13 H 1.153 0.02 2 1112 608 100 ILE HD1 H 0.573 0.02 1 1113 608 100 ILE CD1 C 11.050 0.40 1 1114 608 100 ILE C C 173.662 0.40 1 1115 609 101 GLY N N 111.532 0.40 1 1116 609 101 GLY H H 8.552 0.02 1 1117 609 101 GLY CA C 44.493 0.40 1 1118 609 101 GLY HA2 H 3.439 0.02 2 1119 609 101 GLY HA3 H 4.097 0.02 2 1120 609 101 GLY C C 175.984 0.40 1 1121 610 102 TYR N N 121.461 0.40 1 1122 610 102 TYR H H 7.215 0.02 1 1123 610 102 TYR CA C 57.321 0.40 1 1124 610 102 TYR HA H 4.429 0.02 1 1125 610 102 TYR CB C 38.541 0.40 1 1126 610 102 TYR HB2 H 3.012 0.02 2 1127 610 102 TYR HB3 H 2.726 0.02 2 1128 610 102 TYR HD1 H 7.049 0.02 3 1129 610 102 TYR HE1 H 6.894 0.02 3 1130 610 102 TYR CD1 C 132.608 0.40 3 1131 610 102 TYR CE1 C 118.828 0.40 3 1132 610 102 TYR C C 177.531 0.40 1 1133 611 103 VAL N N 128.004 0.40 1 1134 611 103 VAL H H 8.963 0.02 1 1135 611 103 VAL CA C 69.774 0.40 1 1136 611 103 VAL HA H 3.059 0.02 1 1137 611 103 VAL CB C 30.419 0.40 1 1138 611 103 VAL HB H 2.450 0.02 1 1139 611 103 VAL HG1 H 0.710 0.02 2 1140 611 103 VAL HG2 H 0.024 0.02 2 1141 611 103 VAL CG1 C 21.337 0.40 2 1142 611 103 VAL CG2 C 20.167 0.40 2 1143 611 103 VAL C C 180.538 0.40 1 1144 612 104 THR N N 117.835 0.40 1 1145 612 104 THR H H 9.346 0.02 1 1146 612 104 THR CA C 64.498 0.40 1 1147 612 104 THR HA H 3.804 0.02 1 1148 612 104 THR CB C 67.919 0.40 1 1149 612 104 THR HB H 4.285 0.02 1 1150 612 104 THR HG2 H 1.270 0.02 1 1151 612 104 THR CG2 C 21.670 0.40 1 1152 612 104 THR C C 175.208 0.40 1 1153 613 105 HIS N N 118.979 0.40 1 1154 613 105 HIS H H 7.656 0.02 1 1155 613 105 HIS CA C 55.416 0.40 1 1156 613 105 HIS HA H 4.685 0.02 1 1157 613 105 HIS CB C 29.043 0.40 1 1158 613 105 HIS HB2 H 3.030 0.02 2 1159 613 105 HIS HB3 H 2.218 0.02 2 1160 613 105 HIS CD2 C 120.357 0.40 1 1161 613 105 HIS HD2 H 6.940 0.02 1 1162 613 105 HIS C C 175.555 0.40 1 1163 614 106 GLY N N 105.972 0.40 1 1164 614 106 GLY H H 7.657 0.02 1 1165 614 106 GLY CA C 45.084 0.40 1 1166 614 106 GLY HA2 H 3.665 0.02 2 1167 614 106 GLY HA3 H 4.095 0.02 2 1168 614 106 GLY C C 173.839 0.40 1 1169 615 107 PHE N N 116.153 0.40 1 1170 615 107 PHE H H 6.717 0.02 1 1171 615 107 PHE CA C 53.542 0.40 1 1172 615 107 PHE HA H 5.240 0.02 1 1173 615 107 PHE CB C 38.518 0.40 1 1174 615 107 PHE HB2 H 3.578 0.02 2 1175 615 107 PHE HB3 H 3.016 0.02 2 1176 615 107 PHE HD1 H 6.909 0.02 3 1177 615 107 PHE HE1 H 7.371 0.02 3 1178 615 107 PHE CD1 C 129.163 0.40 3 1179 615 107 PHE CE1 C 131.889 0.40 3 1180 615 107 PHE CZ C 129.276 0.40 1 1181 615 107 PHE HZ H 7.226 0.02 1 1182 615 107 PHE C C 178.565 0.40 1 1183 616 108 ASN N N 122.068 0.40 1 1184 616 108 ASN H H 9.144 0.02 1 1185 616 108 ASN CA C 51.039 0.40 1 1186 616 108 ASN HA H 4.949 0.02 1 1187 616 108 ASN CB C 37.594 0.40 1 1188 616 108 ASN HB2 H 3.558 0.02 2 1189 616 108 ASN HB3 H 3.021 0.02 2 1190 616 108 ASN ND2 N 109.998 0.40 1 1191 616 108 ASN HD21 H 7.304 0.02 2 1192 616 108 ASN HD22 H 7.002 0.02 2 1193 616 108 ASN C C 175.471 0.40 1 1194 617 109 LEU N N 119.139 0.40 1 1195 617 109 LEU H H 8.690 0.02 1 1196 617 109 LEU CA C 58.225 0.40 1 1197 617 109 LEU HA H 3.831 0.02 1 1198 617 109 LEU CB C 41.982 0.40 1 1199 617 109 LEU HB2 H 1.889 0.02 2 1200 617 109 LEU HB3 H 1.502 0.02 2 1201 617 109 LEU CG C 26.679 0.40 1 1202 617 109 LEU HG H 1.799 0.02 1 1203 617 109 LEU HD1 H 0.871 0.02 2 1204 617 109 LEU HD2 H 0.548 0.02 2 1205 617 109 LEU CD1 C 24.517 0.40 2 1206 617 109 LEU CD2 C 22.925 0.40 2 1207 617 109 LEU C C 177.273 0.40 1 1208 618 110 GLU N N 120.123 0.40 1 1209 618 110 GLU H H 7.733 0.02 1 1210 618 110 GLU CA C 59.160 0.40 1 1211 618 110 GLU HA H 2.878 0.02 1 1212 618 110 GLU CB C 28.252 0.40 1 1213 618 110 GLU HB2 H 1.511 0.02 2 1214 618 110 GLU HB3 H 0.710 0.02 2 1215 618 110 GLU CG C 35.408 0.40 1 1216 618 110 GLU HG2 H 1.542 0.02 2 1217 618 110 GLU HG3 H 1.228 0.02 2 1218 618 110 GLU C C 178.297 0.40 1 1219 619 111 GLU N N 118.870 0.40 1 1220 619 111 GLU H H 8.497 0.02 1 1221 619 111 GLU CA C 57.926 0.40 1 1222 619 111 GLU HA H 3.490 0.02 1 1223 619 111 GLU CB C 28.932 0.40 1 1224 619 111 GLU HB2 H 1.893 0.02 2 1225 619 111 GLU HB3 H 1.148 0.02 2 1226 619 111 GLU CG C 36.267 0.40 1 1227 619 111 GLU HG2 H 2.163 0.02 2 1228 619 111 GLU HG3 H 1.839 0.02 2 1229 619 111 GLU C C 179.594 0.40 1 1230 620 112 ALA N N 120.981 0.40 1 1231 620 112 ALA H H 8.311 0.02 1 1232 620 112 ALA CA C 54.483 0.40 1 1233 620 112 ALA HA H 4.205 0.02 1 1234 620 112 ALA HB H 1.451 0.02 1 1235 620 112 ALA CB C 18.568 0.40 1 1236 620 112 ALA C C 178.908 0.40 1 1237 621 113 ALA N N 121.404 0.40 1 1238 621 113 ALA H H 8.551 0.02 1 1239 621 113 ALA CA C 54.782 0.40 1 1240 621 113 ALA HA H 3.823 0.02 1 1241 621 113 ALA HB H 1.052 0.02 1 1242 621 113 ALA CB C 18.545 0.40 1 1243 621 113 ALA C C 178.904 0.40 1 1244 622 114 ARG N N 114.449 0.40 1 1245 622 114 ARG H H 7.630 0.02 1 1246 622 114 ARG CA C 59.440 0.40 1 1247 622 114 ARG HA H 3.627 0.02 1 1248 622 114 ARG CB C 29.185 0.40 1 1249 622 114 ARG HB2 H 1.908 0.02 2 1250 622 114 ARG HB3 H 1.719 0.02 2 1251 622 114 ARG CG C 27.596 0.40 1 1252 622 114 ARG HG2 H 1.357 0.02 2 1253 622 114 ARG HG3 H 1.596 0.02 2 1254 622 114 ARG CD C 43.195 0.40 1 1255 622 114 ARG HD2 H 3.041 0.02 2 1256 622 114 ARG HD3 H 2.979 0.02 2 1257 622 114 ARG C C 180.192 0.40 1 1258 623 115 CYS N N 118.396 0.40 1 1259 623 115 CYS H H 7.491 0.02 1 1260 623 115 CYS CA C 62.085 0.40 1 1261 623 115 CYS HA H 4.075 0.02 1 1262 623 115 CYS CB C 26.362 0.40 1 1263 623 115 CYS HB2 H 2.961 0.02 2 1264 623 115 CYS HB3 H 2.724 0.02 2 1265 623 115 CYS C C 177.271 0.40 1 1266 624 116 MET N N 119.551 0.40 1 1267 624 116 MET H H 8.363 0.02 1 1268 624 116 MET CA C 55.717 0.40 1 1269 624 116 MET HA H 4.175 0.02 1 1270 624 116 MET CB C 30.139 0.40 1 1271 624 116 MET HB2 H 2.433 0.02 2 1272 624 116 MET CG C 32.936 0.40 1 1273 624 116 MET HG2 H 2.867 0.02 2 1274 624 116 MET HE H 1.888 0.02 1 1275 624 116 MET CE C 17.918 0.40 1 1276 624 116 MET C C 179.092 0.40 1 1277 625 117 ARG N N 120.798 0.40 1 1278 625 117 ARG H H 7.520 0.02 1 1279 625 117 ARG CA C 58.493 0.40 1 1280 625 117 ARG HA H 4.022 0.02 1 1281 625 117 ARG CB C 30.393 0.40 1 1282 625 117 ARG HB2 H 1.889 0.02 2 1283 625 117 ARG HB3 H 1.789 0.02 2 1284 625 117 ARG CG C 27.341 0.40 1 1285 625 117 ARG HG2 H 1.991 0.02 2 1286 625 117 ARG HG3 H 1.665 0.02 2 1287 625 117 ARG CD C 43.847 0.40 1 1288 625 117 ARG HD2 H 3.161 0.02 2 1289 625 117 ARG C C 177.445 0.40 1 1290 626 118 SER N N 110.949 0.40 1 1291 626 118 SER H H 7.628 0.02 1 1292 626 118 SER CA C 58.841 0.40 1 1293 626 118 SER HA H 4.268 0.02 1 1294 626 118 SER CB C 63.543 0.40 1 1295 626 118 SER HB2 H 3.899 0.02 2 1296 626 118 SER C C 173.770 0.40 1 1297 627 119 LEU N N 125.064 0.40 1 1298 627 119 LEU H H 7.605 0.02 1 1299 627 119 LEU CA C 54.775 0.40 1 1300 627 119 LEU HA H 4.368 0.02 1 1301 627 119 LEU CB C 42.014 0.40 1 1302 627 119 LEU HB2 H 2.178 0.02 2 1303 627 119 LEU HB3 H 1.162 0.02 2 1304 627 119 LEU CG C 26.959 0.40 1 1305 627 119 LEU HG H 1.525 0.02 1 1306 627 119 LEU HD1 H 0.723 0.02 2 1307 627 119 LEU HD2 H 0.832 0.02 2 1308 627 119 LEU CD1 C 26.360 0.40 2 1309 627 119 LEU CD2 C 23.860 0.40 2 1310 627 119 LEU C C 175.899 0.40 1 1311 628 120 LYS N N 128.547 0.40 1 1312 628 120 LYS H H 9.699 0.02 1 1313 628 120 LYS CA C 54.778 0.40 1 1314 628 120 LYS HA H 4.244 0.02 1 1315 628 120 LYS CB C 33.227 0.40 1 1316 628 120 LYS HB2 H 1.738 0.02 2 1317 628 120 LYS HB3 H 1.440 0.02 2 1318 628 120 LYS CG C 24.485 0.40 1 1319 628 120 LYS HG2 H 1.236 0.02 2 1320 628 120 LYS HG3 H 1.345 0.02 2 1321 628 120 LYS CD C 28.247 0.40 1 1322 628 120 LYS HD2 H 1.501 0.02 2 1323 628 120 LYS HD3 H 1.481 0.02 2 1324 628 120 LYS CE C 41.955 0.40 1 1325 628 120 LYS HE2 H 2.858 0.02 2 1326 628 120 LYS C C 176.933 0.40 1 1327 629 121 ALA N N 123.991 0.40 1 1328 629 121 ALA H H 6.580 0.02 1 1329 629 121 ALA CA C 49.798 0.40 1 1330 629 121 ALA HA H 4.412 0.02 1 1331 629 121 ALA HB H 1.143 0.02 1 1332 629 121 ALA CB C 16.984 0.40 1 1333 630 122 PRO CD C 49.471 0.40 1 1334 630 122 PRO CA C 62.597 0.40 1 1335 630 122 PRO HA H 4.210 0.02 1 1336 630 122 PRO CB C 31.623 0.40 1 1337 630 122 PRO HB2 H 2.223 0.02 2 1338 630 122 PRO HB3 H 1.737 0.02 2 1339 630 122 PRO CG C 27.889 0.40 1 1340 630 122 PRO HG2 H 1.925 0.02 2 1341 630 122 PRO HD2 H 3.689 0.02 2 1342 630 122 PRO HD3 H 3.020 0.02 2 1343 630 122 PRO C C 176.133 0.40 1 1344 631 123 ALA N N 122.590 0.40 1 1345 631 123 ALA H H 7.938 0.02 1 1346 631 123 ALA CA C 50.739 0.40 1 1347 631 123 ALA HA H 5.096 0.02 1 1348 631 123 ALA HB H 0.960 0.02 1 1349 631 123 ALA CB C 22.265 0.40 1 1350 631 123 ALA C C 176.761 0.40 1 1351 632 124 VAL N N 125.660 0.40 1 1352 632 124 VAL H H 8.144 0.02 1 1353 632 124 VAL CA C 61.349 0.40 1 1354 632 124 VAL HA H 4.269 0.02 1 1355 632 124 VAL CB C 32.919 0.40 1 1356 632 124 VAL HB H 1.722 0.02 1 1357 632 124 VAL HG1 H 0.717 0.02 2 1358 632 124 VAL HG2 H 0.277 0.02 2 1359 632 124 VAL CG1 C 21.955 0.40 2 1360 632 124 VAL CG2 C 21.358 0.40 2 1361 632 124 VAL C C 174.068 0.40 1 1362 633 125 VAL N N 128.256 0.40 1 1363 633 125 VAL H H 8.141 0.02 1 1364 633 125 VAL CA C 59.470 0.40 1 1365 633 125 VAL HA H 4.731 0.02 1 1366 633 125 VAL CB C 32.916 0.40 1 1367 633 125 VAL HB H 1.658 0.02 1 1368 633 125 VAL HG1 H 0.560 0.02 2 1369 633 125 VAL HG2 H 0.330 0.02 2 1370 633 125 VAL CG1 C 21.149 0.40 2 1371 633 125 VAL CG2 C 19.900 0.40 2 1372 633 125 VAL C C 174.341 0.40 1 1373 634 126 SER N N 118.968 0.40 1 1374 634 126 SER H H 8.578 0.02 1 1375 634 126 SER CA C 53.866 0.40 1 1376 634 126 SER HA H 4.909 0.02 1 1377 634 126 SER CB C 64.457 0.40 1 1378 634 126 SER HB2 H 3.802 0.02 2 1379 634 126 SER HB3 H 2.966 0.02 2 1380 634 126 SER C C 175.601 0.40 1 1381 635 127 VAL N N 118.862 0.40 1 1382 635 127 VAL H H 8.517 0.02 1 1383 635 127 VAL CA C 59.179 0.40 1 1384 635 127 VAL HA H 4.509 0.02 1 1385 635 127 VAL CB C 32.604 0.40 1 1386 635 127 VAL HB H 2.056 0.02 1 1387 635 127 VAL HG1 H 0.476 0.02 2 1388 635 127 VAL HG2 H 0.196 0.02 2 1389 635 127 VAL CG1 C 19.200 0.40 2 1390 635 127 VAL CG2 C 21.280 0.40 2 1391 635 127 VAL C C 178.483 0.40 1 1392 636 128 SER N N 112.596 0.40 1 1393 636 128 SER H H 8.239 0.02 1 1394 636 128 SER CA C 61.398 0.40 1 1395 636 128 SER HA H 3.907 0.02 1 1396 636 128 SER CB C 63.546 0.40 1 1397 636 128 SER HB2 H 3.885 0.02 2 1398 636 128 SER C C 173.581 0.40 1 1399 637 129 SER N N 114.540 0.40 1 1400 637 129 SER H H 7.247 0.02 1 1401 637 129 SER CA C 55.420 0.40 1 1402 637 129 SER HA H 4.943 0.02 1 1403 637 129 SER CB C 63.848 0.40 1 1404 637 129 SER HB2 H 4.068 0.02 2 1405 637 129 SER HB3 H 3.769 0.02 2 1406 638 130 PRO CD C 50.419 0.40 1 1407 638 130 PRO CA C 64.776 0.40 1 1408 638 130 PRO HA H 4.182 0.02 1 1409 638 130 PRO CB C 31.966 0.40 1 1410 638 130 PRO HB2 H 2.383 0.02 2 1411 638 130 PRO HB3 H 1.960 0.02 2 1412 638 130 PRO CG C 27.611 0.40 1 1413 638 130 PRO HG2 H 2.131 0.02 2 1414 638 130 PRO HG3 H 2.017 0.02 2 1415 638 130 PRO HD2 H 3.878 0.02 2 1416 638 130 PRO HD3 H 3.824 0.02 2 1417 638 130 PRO C C 179.248 0.40 1 1418 639 131 ASP N N 116.165 0.40 1 1419 639 131 ASP H H 8.189 0.02 1 1420 639 131 ASP CA C 55.712 0.40 1 1421 639 131 ASP HA H 4.354 0.02 1 1422 639 131 ASP CB C 40.085 0.40 1 1423 639 131 ASP HB2 H 2.595 0.02 2 1424 639 131 ASP HB3 H 2.505 0.02 2 1425 639 131 ASP C C 176.995 0.40 1 1426 640 132 ALA N N 120.981 0.40 1 1427 640 132 ALA H H 7.597 0.02 1 1428 640 132 ALA CA C 52.604 0.40 1 1429 640 132 ALA HA H 4.221 0.02 1 1430 640 132 ALA HB H 1.355 0.02 1 1431 640 132 ALA CB C 18.228 0.40 1 1432 640 132 ALA C C 177.959 0.40 1 1433 641 133 VAL N N 120.764 0.40 1 1434 641 133 VAL H H 7.273 0.02 1 1435 641 133 VAL CA C 66.394 0.40 1 1436 641 133 VAL HA H 3.217 0.02 1 1437 641 133 VAL CB C 31.363 0.40 1 1438 641 133 VAL HB H 2.119 0.02 1 1439 641 133 VAL HG1 H 0.654 0.02 2 1440 641 133 VAL HG2 H 0.674 0.02 2 1441 641 133 VAL CG1 C 20.746 0.40 2 1442 641 133 VAL CG2 C 22.300 0.40 2 1443 641 133 VAL C C 177.049 0.40 1 1444 642 134 THR N N 112.653 0.40 1 1445 642 134 THR H H 7.489 0.02 1 1446 642 134 THR CA C 65.103 0.40 1 1447 642 134 THR HA H 3.840 0.02 1 1448 642 134 THR CB C 67.683 0.40 1 1449 642 134 THR HB H 4.088 0.02 1 1450 642 134 THR HG2 H 1.126 0.02 1 1451 642 134 THR CG2 C 21.327 0.40 1 1452 642 134 THR C C 177.619 0.40 1 1453 643 135 THR N N 119.151 0.40 1 1454 643 135 THR H H 7.329 0.02 1 1455 643 135 THR CA C 65.097 0.40 1 1456 643 135 THR HA H 3.470 0.02 1 1457 643 135 THR CB C 67.916 0.40 1 1458 643 135 THR HB H 3.797 0.02 1 1459 643 135 THR HG2 H 0.963 0.02 1 1460 643 135 THR CG2 C 22.306 0.40 1 1461 643 135 THR C C 175.382 0.40 1 1462 644 136 TYR N N 122.838 0.40 1 1463 644 136 TYR H H 8.772 0.02 1 1464 644 136 TYR CA C 62.080 0.40 1 1465 644 136 TYR HA H 3.771 0.02 1 1466 644 136 TYR CB C 39.160 0.40 1 1467 644 136 TYR HB2 H 2.972 0.02 2 1468 644 136 TYR HB3 H 2.876 0.02 2 1469 644 136 TYR HD1 H 6.870 0.02 3 1470 644 136 TYR HE1 H 6.399 0.02 3 1471 644 136 TYR CD1 C 133.116 0.40 3 1472 644 136 TYR CE1 C 117.218 0.40 3 1473 644 136 TYR C C 176.594 0.40 1 1474 645 137 ASN N N 116.474 0.40 1 1475 645 137 ASN H H 8.314 0.02 1 1476 645 137 ASN CA C 54.776 0.40 1 1477 645 137 ASN HA H 4.320 0.02 1 1478 645 137 ASN CB C 36.964 0.40 1 1479 645 137 ASN HB2 H 2.773 0.02 2 1480 645 137 ASN HB3 H 2.653 0.02 2 1481 645 137 ASN ND2 N 110.240 0.40 1 1482 645 137 ASN HD21 H 7.485 0.02 2 1483 645 137 ASN HD22 H 6.828 0.02 2 1484 645 137 ASN C C 178.995 0.40 1 1485 646 138 GLY N N 108.260 0.40 1 1486 646 138 GLY H H 7.764 0.02 1 1487 646 138 GLY CA C 46.357 0.40 1 1488 646 138 GLY HA2 H 3.636 0.02 2 1489 646 138 GLY HA3 H 3.702 0.02 2 1490 646 138 GLY C C 176.159 0.40 1 1491 647 139 TYR N N 120.706 0.40 1 1492 647 139 TYR H H 7.408 0.02 1 1493 647 139 TYR CA C 56.981 0.40 1 1494 647 139 TYR HA H 4.610 0.02 1 1495 647 139 TYR CB C 37.588 0.40 1 1496 647 139 TYR HB2 H 2.977 0.02 2 1497 647 139 TYR HB3 H 2.730 0.02 2 1498 647 139 TYR HD1 H 6.794 0.02 3 1499 647 139 TYR HE1 H 6.544 0.02 3 1500 647 139 TYR CD1 C 131.773 0.40 3 1501 647 139 TYR CE1 C 118.163 0.40 3 1502 647 139 TYR C C 178.545 0.40 1 1503 648 140 LEU N N 119.227 0.40 1 1504 648 140 LEU H H 7.877 0.02 1 1505 648 140 LEU CA C 56.660 0.40 1 1506 648 140 LEU HA H 3.771 0.02 1 1507 648 140 LEU CB C 42.295 0.40 1 1508 648 140 LEU HB2 H 1.527 0.02 2 1509 648 140 LEU HB3 H 1.502 0.02 2 1510 648 140 LEU CG C 26.041 0.40 1 1511 648 140 LEU HG H 1.386 0.02 1 1512 648 140 LEU HD1 H 0.780 0.02 2 1513 648 140 LEU HD2 H 0.655 0.02 2 1514 648 140 LEU CD1 C 24.803 0.40 2 1515 648 140 LEU CD2 C 23.382 0.40 2 1516 648 140 LEU C C 178.651 0.40 1 1517 649 141 THR N N 108.100 0.40 1 1518 649 141 THR H H 7.462 0.02 1 1519 649 141 THR CA C 61.637 0.40 1 1520 649 141 THR HA H 4.235 0.02 1 1521 649 141 THR CB C 69.159 0.40 1 1522 649 141 THR HB H 4.292 0.02 1 1523 649 141 THR HG2 H 1.137 0.02 1 1524 649 141 THR CG2 C 21.340 0.40 1 1525 649 141 THR C C 174.869 0.40 1 1526 650 142 SER N N 117.559 0.40 1 1527 650 142 SER H H 7.654 0.02 1 1528 650 142 SER CA C 58.239 0.40 1 1529 650 142 SER HA H 4.436 0.02 1 1530 650 142 SER CB C 63.542 0.40 1 1531 650 142 SER HB2 H 3.899 0.02 2 1532 650 142 SER HB3 H 3.871 0.02 2 1533 650 142 SER C C 173.754 0.40 1 1534 651 143 SER N N 123.103 0.40 1 1535 651 143 SER H H 7.980 0.02 1 1536 651 143 SER CA C 60.438 0.40 1 1537 651 143 SER HA H 4.181 0.02 1 1538 651 143 SER CB C 64.161 0.40 1 1539 651 143 SER HB2 H 3.766 0.02 2 stop_ save_