data_16613 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SARS Coronavirus-unique domain (SUD): Three-domain molecular architecture in solution and RNA binding ; _BMRB_accession_number 16613 _BMRB_flat_file_name bmr16613.str _Entry_type original _Submission_date 2009-11-19 _Accession_date 2009-11-19 _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 Johnson Margaret A. . 2 Chatterjee Amarnath . . 3 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" 1159 "13C chemical shifts" 675 "15N chemical shifts" 201 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-08-12 update BMRB 'Complete entry citation' 2010-06-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'SARS coronavirus unique domain: three-domain molecular architecture in solution and RNA binding.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20493876 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Johnson Margaret A. . 2 Chatterjee Amarnath . . 3 Neuman Benjamin W. . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 400 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 724 _Page_last 742 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SUD-MC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SUD-MC $SUD-MC 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_SUD-MC _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SUD-MC _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 198 _Mol_residue_sequence ; GSHMGTVSWNLREMLAHAEE TRKLMPICMDVRAIMATIQR KYKGIKIQEGIVDYGVRFFF YTSKEPVASIITKLNSLNEP LVTMPIGYVTHGFNLEEAAR CMRSLKAPAVVSVSSPDAVT TYNGYLTSSSKTSEEHFVET VSLAGSYRDWSYSGQRTELG VEFLKRGDKIVYHTLESPVE FHLDGEVLSLDKLKSLLS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 SER 3 -2 HIS 4 -1 MET 5 527 GLY 6 528 THR 7 529 VAL 8 530 SER 9 531 TRP 10 532 ASN 11 533 LEU 12 534 ARG 13 535 GLU 14 536 MET 15 537 LEU 16 538 ALA 17 539 HIS 18 540 ALA 19 541 GLU 20 542 GLU 21 543 THR 22 544 ARG 23 545 LYS 24 546 LEU 25 547 MET 26 548 PRO 27 549 ILE 28 550 CYS 29 551 MET 30 552 ASP 31 553 VAL 32 554 ARG 33 555 ALA 34 556 ILE 35 557 MET 36 558 ALA 37 559 THR 38 560 ILE 39 561 GLN 40 562 ARG 41 563 LYS 42 564 TYR 43 565 LYS 44 566 GLY 45 567 ILE 46 568 LYS 47 569 ILE 48 570 GLN 49 571 GLU 50 572 GLY 51 573 ILE 52 574 VAL 53 575 ASP 54 576 TYR 55 577 GLY 56 578 VAL 57 579 ARG 58 580 PHE 59 581 PHE 60 582 PHE 61 583 TYR 62 584 THR 63 585 SER 64 586 LYS 65 587 GLU 66 588 PRO 67 589 VAL 68 590 ALA 69 591 SER 70 592 ILE 71 593 ILE 72 594 THR 73 595 LYS 74 596 LEU 75 597 ASN 76 598 SER 77 599 LEU 78 600 ASN 79 601 GLU 80 602 PRO 81 603 LEU 82 604 VAL 83 605 THR 84 606 MET 85 607 PRO 86 608 ILE 87 609 GLY 88 610 TYR 89 611 VAL 90 612 THR 91 613 HIS 92 614 GLY 93 615 PHE 94 616 ASN 95 617 LEU 96 618 GLU 97 619 GLU 98 620 ALA 99 621 ALA 100 622 ARG 101 623 CYS 102 624 MET 103 625 ARG 104 626 SER 105 627 LEU 106 628 LYS 107 629 ALA 108 630 PRO 109 631 ALA 110 632 VAL 111 633 VAL 112 634 SER 113 635 VAL 114 636 SER 115 637 SER 116 638 PRO 117 639 ASP 118 640 ALA 119 641 VAL 120 642 THR 121 643 THR 122 644 TYR 123 645 ASN 124 646 GLY 125 647 TYR 126 648 LEU 127 649 THR 128 650 SER 129 651 SER 130 652 SER 131 653 LYS 132 654 THR 133 655 SER 134 656 GLU 135 657 GLU 136 658 HIS 137 659 PHE 138 660 VAL 139 661 GLU 140 662 THR 141 663 VAL 142 664 SER 143 665 LEU 144 666 ALA 145 667 GLY 146 668 SER 147 669 TYR 148 670 ARG 149 671 ASP 150 672 TRP 151 673 SER 152 674 TYR 153 675 SER 154 676 GLY 155 677 GLN 156 678 ARG 157 679 THR 158 680 GLU 159 681 LEU 160 682 GLY 161 683 VAL 162 684 GLU 163 685 PHE 164 686 LEU 165 687 LYS 166 688 ARG 167 689 GLY 168 690 ASP 169 691 LYS 170 692 ILE 171 693 VAL 172 694 TYR 173 695 HIS 174 696 THR 175 697 LEU 176 698 GLU 177 699 SER 178 700 PRO 179 701 VAL 180 702 GLU 181 703 PHE 182 704 HIS 183 705 LEU 184 706 ASP 185 707 GLY 186 708 GLU 187 709 VAL 188 710 LEU 189 711 SER 190 712 LEU 191 713 ASP 192 714 LYS 193 715 LEU 194 716 LYS 195 717 SER 196 718 LEU 197 719 LEU 198 720 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 15469 nsp3(513-651) 63.64 143 99.21 100.00 2.08e-86 BMRB 15618 nsp3(527-651) 65.15 129 100.00 100.00 1.17e-89 PDB 2JZD "Nmr Structure Of The Domain 527-651 Of The Sars-Cov Nonstructural Protein Nsp3" 65.15 129 100.00 100.00 1.17e-89 PDB 2JZE "Nmr Structure Of The Domain 527-651 Of The Sars-Cov Nonstructural Protein Nsp3, Single Conformer Closest To The Mean Coordinate" 65.15 129 100.00 100.00 1.17e-89 PDB 2JZF "Nmr Conformer Closest To The Mean Coordinates Of The Domain 513-651 Of The Sars-Cov Nonstructural Protein Nsp3" 63.64 143 99.21 100.00 2.08e-86 PDB 2KQV "Sars Coronavirus-Unique Domain (Sud): Three-Domain Molecular Architecture In Solution And Rna Binding. I: Structure Of The Sud-" 100.00 198 100.00 100.00 2.12e-143 PDB 2KQW "Sars Coronavirus-Unique Domain (Sud): Three-Domain Molecular Architecture In Solution And Rna Binding. Ii: Structure Of The Sud" 100.00 198 100.00 100.00 2.12e-143 PDB 2RNK "Nmr Structure Of The Domain 513-651 Of The Sars-Cov Nonstructural Protein Nsp3" 63.64 143 99.21 100.00 2.08e-86 PDB 2W2G "Human Sars Coronavirus Unique Domain" 64.14 264 98.43 100.00 2.86e-85 PDB 2WCT "Human Sars Coronavirus Unique Domain (Triclinic Form)" 64.14 264 98.43 100.00 2.86e-85 DBJ BAC81346 "polyprotein 1ab [SARS coronavirus TWH]" 98.48 7073 99.49 100.00 7.11e-125 DBJ BAC81347 "polyprotein 1a [SARS coronavirus TWH]" 98.48 4382 99.49 100.00 1.90e-125 DBJ BAC81360 "polyprotein 1ab [SARS coronavirus TWJ]" 98.48 7073 99.49 100.00 7.11e-125 DBJ BAC81361 "polyprotein 1a [SARS coronavirus TWJ]" 98.48 4382 99.49 100.00 1.90e-125 DBJ BAC81374 "polyprotein 1ab [SARS coronavirus TWK]" 98.48 7073 99.49 100.00 7.11e-125 GB AAP13439 "nonstructural polyprotein pp1a [SARS coronavirus Urbani]" 98.48 4382 99.49 100.00 1.90e-125 GB AAP13442 "nonstructural polyprotein pp1ab [SARS coronavirus Urbani]" 98.48 7073 99.49 100.00 7.11e-125 GB AAP13566 "putative orf1ab polyprotein [SARS coronavirus CUHK-W1]" 98.48 7073 99.49 100.00 7.11e-125 GB AAP13575 "orf1a polyprotein [SARS coronavirus CUHK-W1]" 98.48 4382 99.49 100.00 1.90e-125 GB AAP30028 "orf1ab [SARS coronavirus BJ01]" 98.48 7073 99.49 100.00 7.11e-125 REF NP_828849 "orf1ab polyprotein (pp1ab) [SARS coronavirus]" 98.48 7073 99.49 100.00 7.11e-125 REF NP_828850 "orf1a polyprotein (pp1a) [SARS coronavirus]" 98.48 4382 99.49 100.00 1.90e-125 REF NP_828862 "nsp3-pp1a/pp1ab [SARS coronavirus]" 98.48 1922 99.49 100.00 6.72e-127 SP P0C6U8 "RecName: Full=Replicase polyprotein 1a; Short=pp1a; AltName: Full=ORF1a polyprotein; Contains: RecName: Full=Non-structural pro" 98.48 4382 99.49 100.00 1.90e-125 SP P0C6X7 "RecName: Full=Replicase polyprotein 1ab; Short=pp1ab; AltName: Full=ORF1ab polyprotein; Contains: RecName: Full=Host translatio" 98.48 7073 99.49 100.00 7.11e-125 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _Organism_acronym _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $SUD-MC 'SARS coronavirus' HCoV-SARS 03.019.0.01.014.00.038.001. 227859 Viruses . Coronavirus 'SARS coronavirus' Tor2 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 $SUD-MC 'recombinant technology' 'E. coli' Escherichia coli Rosetta(DE3) pET-28b 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 $SUD-MC 1.0 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium azide' 2 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_ASCAN _Saveframe_category software _Name ASCAN _Version . loop_ _Vendor _Address _Electronic_address 'Fiorito F, Herrmann T, Damberger FF, Wuthrich K.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_MATCH _Saveframe_category software _Name MATCH _Version . loop_ _Vendor _Address _Electronic_address 'Volk, J., Herrmann, T., Wuthrich, K' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_ATNOS _Saveframe_category software _Name ATNOS _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann T, Guntert P, Wuthrich K' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_CANDID _Saveframe_category software _Name CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann T, Guntert P, Wuthrich K' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_OpalP _Saveframe_category software _Name OpalP _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl P, Guntert P, Billeter M, Wuthrich K.' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann T, Wuthrich K' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_[15N,1H]-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [15N,1H]-HSQC' _Sample_label $sample_1 save_ save_2D_[13C,1H]-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D [13C,1H]-HSQC' _Sample_label $sample_1 save_ save_3D_15N-resolved_[1H,1H-NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-resolved [1H,1H-NOESY' _Sample_label $sample_1 save_ save_3D_aliphatic_13C-resolved_[1H,1H]-NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D aliphatic 13C-resolved [1H,1H]-NOESY' _Sample_label $sample_1 save_ save_4D_APSY-HACANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY-HACANH' _Sample_label $sample_1 save_ save_5D_APSY-CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY-CBCACONH' _Sample_label $sample_1 save_ save_5D_APSY-HACACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY-HACACONH' _Sample_label $sample_1 save_ save_4D_APSY-HNCOCA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY-HNCOCA' _Sample_label $sample_1 save_ save_3D_aromatic_13C-resolved_[1H,1H]-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D aromatic 13C-resolved [1H,1H]-NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.227 . M pH 6.8 . 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 'Residue 178 (PRO 700) is in cis conformation.' loop_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '3D 15N-resolved [1H,1H-NOESY' '3D aliphatic 13C-resolved [1H,1H]-NOESY' '3D aromatic 13C-resolved [1H,1H]-NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SUD-MC _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 -2 3 HIS HA H 4.555 0.025 1 2 -2 3 HIS HB2 H 2.974 0.025 2 3 -2 3 HIS HB3 H 3.024 0.025 2 4 -2 3 HIS HD2 H 6.885 0.025 1 5 -2 3 HIS HE1 H 7.720 0.025 1 6 -2 3 HIS CA C 56.779 0.2 1 7 -2 3 HIS CB C 31.246 0.2 1 8 -2 3 HIS CD2 C 119.252 0.2 1 9 -2 3 HIS CE1 C 138.870 0.2 1 10 -1 4 MET H H 8.136 0.025 1 11 -1 4 MET HA H 4.471 0.025 1 12 -1 4 MET HB2 H 1.950 0.025 2 13 -1 4 MET HB3 H 1.789 0.025 2 14 -1 4 MET HE H 1.995 0.025 1 15 -1 4 MET HG2 H 2.390 0.025 2 16 -1 4 MET HG3 H 2.340 0.025 2 17 -1 4 MET CA C 55.108 0.2 1 18 -1 4 MET CB C 33.814 0.2 1 19 -1 4 MET CE C 17.266 0.2 1 20 -1 4 MET CG C 32.134 0.2 1 21 -1 4 MET N N 121.603 0.2 1 22 527 5 GLY H H 7.827 0.025 1 23 527 5 GLY HA2 H 3.872 0.025 2 24 527 5 GLY HA3 H 3.962 0.025 2 25 527 5 GLY CA C 45.599 0.2 1 26 527 5 GLY N N 109.006 0.2 1 27 528 6 THR H H 7.786 0.025 1 28 528 6 THR HA H 5.180 0.025 1 29 528 6 THR HB H 3.969 0.025 1 30 528 6 THR HG2 H 1.084 0.025 1 31 528 6 THR CA C 60.979 0.2 1 32 528 6 THR CB C 68.789 0.2 1 33 528 6 THR CG2 C 25.113 0.2 1 34 528 6 THR N N 118.287 0.2 1 35 529 7 VAL H H 8.997 0.025 1 36 529 7 VAL HA H 4.252 0.025 1 37 529 7 VAL HB H 0.970 0.025 1 38 529 7 VAL HG1 H -0.937 0.025 1 39 529 7 VAL HG2 H 0.039 0.025 1 40 529 7 VAL CA C 58.700 0.2 1 41 529 7 VAL CB C 35.655 0.2 1 42 529 7 VAL CG1 C 16.211 0.2 2 43 529 7 VAL CG2 C 20.776 0.2 2 44 529 7 VAL N N 121.136 0.2 1 45 530 8 SER H H 8.227 0.025 1 46 530 8 SER HA H 4.838 0.025 1 47 530 8 SER HB2 H 3.362 0.025 2 48 530 8 SER HB3 H 3.156 0.025 2 49 530 8 SER CA C 56.082 0.2 1 50 530 8 SER CB C 63.129 0.2 1 51 530 8 SER N N 113.143 0.2 1 52 531 9 TRP H H 7.620 0.025 1 53 531 9 TRP HA H 5.370 0.025 1 54 531 9 TRP HB2 H 2.776 0.025 2 55 531 9 TRP HB3 H 3.082 0.025 2 56 531 9 TRP HD1 H 6.989 0.025 1 57 531 9 TRP HE1 H 9.916 0.025 1 58 531 9 TRP HE3 H 6.751 0.025 1 59 531 9 TRP HH2 H 6.049 0.025 1 60 531 9 TRP HZ2 H 7.141 0.025 1 61 531 9 TRP HZ3 H 6.181 0.025 1 62 531 9 TRP CA C 52.186 0.2 1 63 531 9 TRP CB C 33.071 0.2 1 64 531 9 TRP CD1 C 124.392 0.2 1 65 531 9 TRP CE3 C 118.386 0.2 1 66 531 9 TRP CH2 C 124.042 0.2 1 67 531 9 TRP CZ2 C 114.715 0.2 1 68 531 9 TRP CZ3 C 121.632 0.2 1 69 531 9 TRP N N 124.628 0.2 1 70 531 9 TRP NE1 N 127.751 0.2 1 71 532 10 ASN H H 9.340 0.025 1 72 532 10 ASN HA H 4.620 0.025 1 73 532 10 ASN HB2 H 3.287 0.025 2 74 532 10 ASN HB3 H 2.905 0.025 2 75 532 10 ASN HD21 H 7.423 0.025 2 76 532 10 ASN HD22 H 6.614 0.025 2 77 532 10 ASN CA C 51.727 0.2 1 78 532 10 ASN CB C 38.483 0.2 1 79 532 10 ASN N N 121.833 0.2 1 80 532 10 ASN ND2 N 111.224 0.2 1 81 533 11 LEU H H 8.531 0.025 1 82 533 11 LEU HA H 4.101 0.025 1 83 533 11 LEU HB2 H 1.651 0.025 2 84 533 11 LEU HB3 H 1.850 0.025 2 85 533 11 LEU HD1 H 1.069 0.025 2 86 533 11 LEU HD2 H 0.996 0.025 2 87 533 11 LEU HG H 1.671 0.025 1 88 533 11 LEU CA C 58.796 0.2 1 89 533 11 LEU CB C 41.827 0.2 1 90 533 11 LEU CD1 C 27.010 0.2 2 91 533 11 LEU CD2 C 23.667 0.2 2 92 533 11 LEU CG C 27.800 0.2 1 93 533 11 LEU N N 119.775 0.2 1 94 534 12 ARG H H 8.089 0.025 1 95 534 12 ARG HA H 3.850 0.025 1 96 534 12 ARG HB3 H 1.830 0.025 2 97 534 12 ARG HD2 H 3.146 0.025 2 98 534 12 ARG HD3 H 3.146 0.025 2 99 534 12 ARG HG2 H 1.682 0.025 2 100 534 12 ARG HG3 H 1.473 0.025 2 101 534 12 ARG CA C 60.306 0.2 1 102 534 12 ARG CB C 29.390 0.2 1 103 534 12 ARG CD C 43.356 0.2 1 104 534 12 ARG CG C 28.058 0.2 1 105 534 12 ARG N N 117.739 0.2 1 106 535 13 GLU H H 8.360 0.025 1 107 535 13 GLU HA H 3.730 0.025 1 108 535 13 GLU HB2 H 1.180 0.025 2 109 535 13 GLU HB3 H 2.162 0.025 2 110 535 13 GLU HG2 H 2.206 0.025 2 111 535 13 GLU HG3 H 2.188 0.025 2 112 535 13 GLU CA C 59.050 0.2 1 113 535 13 GLU CB C 29.685 0.2 1 114 535 13 GLU CG C 37.166 0.2 1 115 535 13 GLU N N 121.440 0.2 1 116 536 14 MET H H 8.708 0.025 1 117 536 14 MET HA H 3.953 0.025 1 118 536 14 MET HB2 H 2.370 0.025 2 119 536 14 MET HB3 H 2.327 0.025 2 120 536 14 MET HE H 2.084 0.025 1 121 536 14 MET HG2 H 2.995 0.025 2 122 536 14 MET HG3 H 2.995 0.025 2 123 536 14 MET CA C 60.867 0.2 1 124 536 14 MET CB C 34.767 0.2 1 125 536 14 MET CE C 16.983 0.2 1 126 536 14 MET CG C 33.428 0.2 1 127 536 14 MET N N 120.552 0.2 1 128 537 15 LEU H H 8.763 0.025 1 129 537 15 LEU HA H 3.978 0.025 1 130 537 15 LEU HB2 H 1.671 0.025 2 131 537 15 LEU HB3 H 1.978 0.025 2 132 537 15 LEU HD1 H 1.266 0.025 2 133 537 15 LEU HD2 H 0.938 0.025 2 134 537 15 LEU HG H 1.973 0.025 1 135 537 15 LEU CA C 58.110 0.2 1 136 537 15 LEU CB C 41.820 0.2 1 137 537 15 LEU CD1 C 23.761 0.2 2 138 537 15 LEU CD2 C 26.359 0.2 2 139 537 15 LEU CG C 27.467 0.2 1 140 537 15 LEU N N 118.641 0.2 1 141 538 16 ALA H H 7.840 0.025 1 142 538 16 ALA HA H 4.030 0.025 1 143 538 16 ALA HB H 1.315 0.025 1 144 538 16 ALA CA C 55.070 0.2 1 145 538 16 ALA CB C 17.978 0.2 1 146 538 16 ALA N N 120.176 0.2 1 147 539 17 HIS H H 7.740 0.025 1 148 539 17 HIS HA H 4.194 0.025 1 149 539 17 HIS HB2 H 2.723 0.025 2 150 539 17 HIS HB3 H 3.193 0.025 2 151 539 17 HIS HD2 H 6.429 0.025 1 152 539 17 HIS HE1 H 7.717 0.025 1 153 539 17 HIS CA C 59.740 0.2 1 154 539 17 HIS CB C 29.360 0.2 1 155 539 17 HIS CD2 C 126.570 0.2 1 156 539 17 HIS CE1 C 138.874 0.2 1 157 539 17 HIS N N 117.609 0.2 1 158 539 17 HIS ND1 N 185.671 0.2 1 159 540 18 ALA H H 9.020 0.025 1 160 540 18 ALA HA H 3.673 0.025 1 161 540 18 ALA HB H 1.429 0.025 1 162 540 18 ALA CA C 56.070 0.2 1 163 540 18 ALA CB C 18.650 0.2 1 164 540 18 ALA N N 124.189 0.2 1 165 541 19 GLU H H 8.870 0.025 1 166 541 19 GLU HA H 3.710 0.025 1 167 541 19 GLU HB2 H 1.942 0.025 2 168 541 19 GLU HB3 H 2.129 0.025 2 169 541 19 GLU HG2 H 2.340 0.025 2 170 541 19 GLU HG3 H 2.072 0.025 2 171 541 19 GLU CA C 60.000 0.2 1 172 541 19 GLU CB C 30.118 0.2 1 173 541 19 GLU CG C 37.256 0.2 1 174 541 19 GLU N N 121.080 0.2 1 175 542 20 GLU H H 7.670 0.025 1 176 542 20 GLU HA H 3.990 0.025 1 177 542 20 GLU HB2 H 2.080 0.025 2 178 542 20 GLU HB3 H 1.921 0.025 2 179 542 20 GLU HG2 H 2.118 0.025 2 180 542 20 GLU HG3 H 2.252 0.025 2 181 542 20 GLU CA C 58.940 0.2 1 182 542 20 GLU CB C 30.460 0.2 1 183 542 20 GLU CG C 36.155 0.2 1 184 542 20 GLU N N 117.040 0.2 1 185 543 21 THR H H 7.602 0.025 1 186 543 21 THR HA H 4.120 0.025 1 187 543 21 THR HB H 4.002 0.025 1 188 543 21 THR HG2 H 0.778 0.025 1 189 543 21 THR CA C 62.440 0.2 1 190 543 21 THR CB C 71.170 0.2 1 191 543 21 THR CG2 C 21.183 0.2 1 192 543 21 THR N N 105.107 0.2 1 193 544 22 ARG H H 7.698 0.025 1 194 544 22 ARG HA H 3.940 0.025 1 195 544 22 ARG HB2 H 1.982 0.025 2 196 544 22 ARG HB3 H 2.000 0.025 2 197 544 22 ARG HD2 H 3.130 0.025 2 198 544 22 ARG HD3 H 3.022 0.025 2 199 544 22 ARG HE H 7.057 0.025 1 200 544 22 ARG HG2 H 1.600 0.025 2 201 544 22 ARG HG3 H 1.449 0.025 2 202 544 22 ARG CA C 56.480 0.2 1 203 544 22 ARG CB C 25.207 0.2 1 204 544 22 ARG CD C 41.973 0.2 1 205 544 22 ARG CG C 26.067 0.2 1 206 544 22 ARG N N 116.670 0.2 1 207 544 22 ARG NE N 83.953 0.2 1 208 545 23 LYS H H 6.950 0.025 1 209 545 23 LYS HA H 4.185 0.025 1 210 545 23 LYS HB2 H 1.684 0.025 2 211 545 23 LYS HB3 H 1.046 0.025 2 212 545 23 LYS HD2 H 1.300 0.025 2 213 545 23 LYS HD3 H 1.390 0.025 2 214 545 23 LYS HE2 H 2.790 0.025 2 215 545 23 LYS HE3 H 2.720 0.025 2 216 545 23 LYS HG2 H 1.302 0.025 2 217 545 23 LYS HG3 H 1.030 0.025 2 218 545 23 LYS CA C 56.670 0.2 1 219 545 23 LYS CB C 36.406 0.2 1 220 545 23 LYS CD C 31.043 0.2 1 221 545 23 LYS CE C 42.412 0.2 1 222 545 23 LYS CG C 26.912 0.2 1 223 545 23 LYS N N 117.730 0.2 1 224 546 24 LEU H H 7.924 0.025 1 225 546 24 LEU HA H 4.492 0.025 1 226 546 24 LEU HB2 H 1.344 0.025 2 227 546 24 LEU HB3 H 1.590 0.025 2 228 546 24 LEU HD1 H 0.569 0.025 2 229 546 24 LEU HD2 H 0.641 0.025 2 230 546 24 LEU HG H 1.133 0.025 1 231 546 24 LEU CA C 54.479 0.2 1 232 546 24 LEU CB C 43.616 0.2 1 233 546 24 LEU CD1 C 26.585 0.2 2 234 546 24 LEU CD2 C 25.218 0.2 2 235 546 24 LEU CG C 27.346 0.2 1 236 546 24 LEU N N 122.607 0.2 1 237 547 25 MET H H 8.790 0.025 1 238 547 25 MET HA H 5.732 0.025 1 239 547 25 MET HB2 H 1.983 0.025 2 240 547 25 MET HB3 H 1.151 0.025 2 241 547 25 MET HE H 2.043 0.025 1 242 547 25 MET HG2 H 2.311 0.025 2 243 547 25 MET HG3 H 2.714 0.025 2 244 547 25 MET CA C 52.320 0.2 1 245 547 25 MET CB C 35.293 0.2 1 246 547 25 MET CE C 20.015 0.2 1 247 547 25 MET CG C 32.703 0.2 1 248 547 25 MET N N 126.300 0.2 1 249 548 26 PRO HA H 6.003 0.025 1 250 548 26 PRO HB2 H 2.412 0.025 2 251 548 26 PRO HB3 H 2.340 0.025 2 252 548 26 PRO HD2 H 4.013 0.025 2 253 548 26 PRO HD3 H 4.013 0.025 2 254 548 26 PRO HG2 H 1.780 0.025 2 255 548 26 PRO HG3 H 2.010 0.025 2 256 548 26 PRO CA C 61.665 0.2 1 257 548 26 PRO CB C 32.560 0.2 1 258 548 26 PRO CD C 51.720 0.2 1 259 548 26 PRO CG C 29.700 0.2 1 260 549 27 ILE H H 9.071 0.025 1 261 549 27 ILE HA H 4.296 0.025 1 262 549 27 ILE HB H 1.784 0.025 1 263 549 27 ILE HD1 H 0.876 0.025 1 264 549 27 ILE HG12 H 1.626 0.025 2 265 549 27 ILE HG13 H 1.272 0.025 2 266 549 27 ILE HG2 H 0.728 0.025 1 267 549 27 ILE CA C 57.697 0.2 1 268 549 27 ILE CB C 41.956 0.2 1 269 549 27 ILE CD1 C 10.550 0.2 1 270 549 27 ILE CG1 C 26.902 0.2 1 271 549 27 ILE CG2 C 19.278 0.2 1 272 549 27 ILE N N 126.270 0.2 1 273 550 28 CYS H H 8.490 0.025 1 274 550 28 CYS HA H 3.720 0.025 1 275 550 28 CYS HB2 H 2.757 0.025 2 276 550 28 CYS HB3 H 2.670 0.025 2 277 550 28 CYS CA C 57.156 0.2 1 278 550 28 CYS CB C 27.987 0.2 1 279 550 28 CYS N N 125.883 0.2 1 280 551 29 MET H H 8.807 0.025 1 281 551 29 MET HA H 4.659 0.025 1 282 551 29 MET HB2 H 1.652 0.025 2 283 551 29 MET HB3 H 1.865 0.025 2 284 551 29 MET HE H 1.583 0.025 1 285 551 29 MET HG2 H 2.135 0.025 2 286 551 29 MET HG3 H 1.986 0.025 2 287 551 29 MET CA C 57.190 0.2 1 288 551 29 MET CB C 34.655 0.2 1 289 551 29 MET CE C 16.303 0.2 1 290 551 29 MET CG C 30.500 0.2 1 291 551 29 MET N N 127.438 0.2 1 292 552 30 ASP H H 7.325 0.025 1 293 552 30 ASP HA H 4.580 0.025 1 294 552 30 ASP HB2 H 2.904 0.025 2 295 552 30 ASP HB3 H 2.350 0.025 2 296 552 30 ASP CA C 54.708 0.2 1 297 552 30 ASP CB C 42.142 0.2 1 298 552 30 ASP N N 117.209 0.2 1 299 553 31 VAL H H 7.277 0.025 1 300 553 31 VAL HA H 4.068 0.025 1 301 553 31 VAL HB H 2.240 0.025 1 302 553 31 VAL HG1 H 1.003 0.025 2 303 553 31 VAL HG2 H 0.879 0.025 2 304 553 31 VAL CA C 62.141 0.2 1 305 553 31 VAL CB C 30.154 0.2 1 306 553 31 VAL CG1 C 22.399 0.2 2 307 553 31 VAL CG2 C 21.048 0.2 2 308 553 31 VAL N N 120.607 0.2 1 309 554 32 ARG H H 8.430 0.025 1 310 554 32 ARG HA H 3.802 0.025 1 311 554 32 ARG HB2 H 1.782 0.025 2 312 554 32 ARG HB3 H 1.946 0.025 2 313 554 32 ARG HD2 H 3.135 0.025 2 314 554 32 ARG HD3 H 3.135 0.025 2 315 554 32 ARG HG2 H 1.660 0.025 2 316 554 32 ARG HG3 H 1.595 0.025 2 317 554 32 ARG CA C 60.093 0.2 1 318 554 32 ARG CB C 29.846 0.2 1 319 554 32 ARG CD C 43.260 0.2 1 320 554 32 ARG CG C 27.243 0.2 1 321 554 32 ARG N N 130.566 0.2 1 322 555 33 ALA H H 9.126 0.025 1 323 555 33 ALA HA H 4.097 0.025 1 324 555 33 ALA HB H 1.374 0.025 1 325 555 33 ALA CA C 55.455 0.2 1 326 555 33 ALA CB C 18.624 0.2 1 327 555 33 ALA N N 119.906 0.2 1 328 556 34 ILE H H 6.639 0.025 1 329 556 34 ILE HA H 3.762 0.025 1 330 556 34 ILE HB H 1.796 0.025 1 331 556 34 ILE HD1 H 0.976 0.025 1 332 556 34 ILE HG12 H 1.697 0.025 2 333 556 34 ILE HG13 H 1.166 0.025 2 334 556 34 ILE HG2 H 0.968 0.025 1 335 556 34 ILE CA C 64.464 0.2 1 336 556 34 ILE CB C 38.605 0.2 1 337 556 34 ILE CD1 C 13.501 0.2 1 338 556 34 ILE CG1 C 28.872 0.2 1 339 556 34 ILE CG2 C 18.007 0.2 1 340 556 34 ILE N N 116.188 0.2 1 341 557 35 MET H H 7.641 0.025 1 342 557 35 MET HA H 4.255 0.025 1 343 557 35 MET HB2 H 1.780 0.025 2 344 557 35 MET HB3 H 1.938 0.025 2 345 557 35 MET HE H 1.540 0.025 1 346 557 35 MET HG2 H 2.305 0.025 2 347 557 35 MET HG3 H 2.623 0.025 2 348 557 35 MET CA C 56.392 0.2 1 349 557 35 MET CB C 29.858 0.2 1 350 557 35 MET CE C 16.662 0.2 1 351 557 35 MET CG C 31.996 0.2 1 352 557 35 MET N N 117.972 0.2 1 353 558 36 ALA H H 8.447 0.025 1 354 558 36 ALA HA H 4.072 0.025 1 355 558 36 ALA HB H 1.380 0.025 1 356 558 36 ALA CA C 55.140 0.2 1 357 558 36 ALA CB C 17.980 0.2 1 358 558 36 ALA N N 121.660 0.2 1 359 559 37 THR H H 7.315 0.025 1 360 559 37 THR HA H 3.872 0.025 1 361 559 37 THR HB H 4.108 0.025 1 362 559 37 THR HG2 H 1.131 0.025 1 363 559 37 THR CA C 66.980 0.2 1 364 559 37 THR CB C 68.300 0.2 1 365 559 37 THR CG2 C 21.734 0.2 1 366 559 37 THR N N 115.897 0.2 1 367 560 38 ILE H H 8.135 0.025 1 368 560 38 ILE HA H 3.710 0.025 1 369 560 38 ILE HB H 1.963 0.025 1 370 560 38 ILE HD1 H 0.801 0.025 1 371 560 38 ILE HG12 H 1.807 0.025 2 372 560 38 ILE HG13 H 1.304 0.025 2 373 560 38 ILE HG2 H 0.801 0.025 1 374 560 38 ILE CA C 66.230 0.2 1 375 560 38 ILE CB C 38.550 0.2 1 376 560 38 ILE CD1 C 14.909 0.2 1 377 560 38 ILE CG1 C 30.103 0.2 1 378 560 38 ILE CG2 C 17.829 0.2 1 379 560 38 ILE N N 121.896 0.2 1 380 561 39 GLN H H 8.443 0.025 1 381 561 39 GLN HA H 3.822 0.025 1 382 561 39 GLN HB2 H 1.999 0.025 2 383 561 39 GLN HB3 H 1.999 0.025 2 384 561 39 GLN HE21 H 6.923 0.025 2 385 561 39 GLN HE22 H 6.736 0.025 2 386 561 39 GLN HG2 H 2.344 0.025 2 387 561 39 GLN HG3 H 2.043 0.025 2 388 561 39 GLN CA C 59.070 0.2 1 389 561 39 GLN CB C 29.510 0.2 1 390 561 39 GLN CG C 36.030 0.2 1 391 561 39 GLN N N 116.220 0.2 1 392 561 39 GLN NE2 N 110.608 0.2 1 393 562 40 ARG H H 7.358 0.025 1 394 562 40 ARG HA H 4.110 0.025 1 395 562 40 ARG HB2 H 1.841 0.025 2 396 562 40 ARG HB3 H 1.841 0.025 2 397 562 40 ARG HD2 H 3.142 0.025 2 398 562 40 ARG HD3 H 3.142 0.025 2 399 562 40 ARG HG2 H 1.680 0.025 2 400 562 40 ARG HG3 H 1.559 0.025 2 401 562 40 ARG CA C 58.170 0.2 1 402 562 40 ARG CB C 30.930 0.2 1 403 562 40 ARG CD C 43.590 0.2 1 404 562 40 ARG CG C 27.950 0.2 1 405 562 40 ARG N N 116.490 0.2 1 406 563 41 LYS H H 7.840 0.025 1 407 563 41 LYS HA H 3.939 0.025 1 408 563 41 LYS HB2 H 1.561 0.025 2 409 563 41 LYS HB3 H 1.351 0.025 2 410 563 41 LYS HD2 H 1.478 0.025 2 411 563 41 LYS HD3 H 1.382 0.025 2 412 563 41 LYS HE2 H 2.859 0.025 2 413 563 41 LYS HE3 H 2.859 0.025 2 414 563 41 LYS HG2 H 0.670 0.025 2 415 563 41 LYS HG3 H 0.994 0.025 2 416 563 41 LYS CA C 58.230 0.2 1 417 563 41 LYS CB C 33.565 0.2 1 418 563 41 LYS CD C 28.930 0.2 1 419 563 41 LYS CE C 42.245 0.2 1 420 563 41 LYS CG C 25.070 0.2 1 421 563 41 LYS N N 118.640 0.2 1 422 564 42 TYR H H 8.230 0.025 1 423 564 42 TYR HA H 4.797 0.025 1 424 564 42 TYR HB2 H 3.113 0.025 2 425 564 42 TYR HB3 H 3.060 0.025 2 426 564 42 TYR HD1 H 7.439 0.025 3 427 564 42 TYR HD2 H 7.439 0.025 3 428 564 42 TYR HE1 H 6.788 0.025 3 429 564 42 TYR HE2 H 6.788 0.025 3 430 564 42 TYR CA C 55.900 0.2 1 431 564 42 TYR CB C 36.300 0.2 1 432 564 42 TYR CD1 C 134.126 0.2 3 433 564 42 TYR CE1 C 117.527 0.2 3 434 564 42 TYR N N 121.180 0.2 1 435 565 43 LYS H H 7.233 0.025 1 436 565 43 LYS HA H 4.095 0.025 1 437 565 43 LYS HB2 H 1.730 0.025 2 438 565 43 LYS HB3 H 1.771 0.025 2 439 565 43 LYS HD2 H 1.686 0.025 2 440 565 43 LYS HD3 H 1.686 0.025 2 441 565 43 LYS HE2 H 2.991 0.025 2 442 565 43 LYS HE3 H 2.991 0.025 2 443 565 43 LYS HG2 H 1.388 0.025 2 444 565 43 LYS HG3 H 1.467 0.025 2 445 565 43 LYS CA C 58.540 0.2 1 446 565 43 LYS CB C 32.450 0.2 1 447 565 43 LYS CD C 29.530 0.2 1 448 565 43 LYS CE C 42.343 0.2 1 449 565 43 LYS CG C 24.956 0.2 1 450 565 43 LYS N N 119.415 0.2 1 451 566 44 GLY H H 9.210 0.025 1 452 566 44 GLY HA2 H 3.616 0.025 2 453 566 44 GLY HA3 H 4.266 0.025 2 454 566 44 GLY CA C 45.105 0.2 1 455 566 44 GLY N N 114.910 0.2 1 456 567 45 ILE H H 7.628 0.025 1 457 567 45 ILE HA H 2.539 0.025 1 458 567 45 ILE HB H 1.821 0.025 1 459 567 45 ILE HD1 H 0.758 0.025 1 460 567 45 ILE HG12 H 1.098 0.025 2 461 567 45 ILE HG13 H 0.690 0.025 2 462 567 45 ILE HG2 H 0.911 0.025 1 463 567 45 ILE CA C 62.149 0.2 1 464 567 45 ILE CB C 38.702 0.2 1 465 567 45 ILE CD1 C 15.593 0.2 1 466 567 45 ILE CG1 C 29.392 0.2 1 467 567 45 ILE CG2 C 15.423 0.2 1 468 567 45 ILE N N 122.505 0.2 1 469 568 46 LYS H H 7.761 0.025 1 470 568 46 LYS HA H 4.320 0.025 1 471 568 46 LYS HB2 H 1.531 0.025 2 472 568 46 LYS HB3 H 1.606 0.025 2 473 568 46 LYS HD2 H 1.540 0.025 2 474 568 46 LYS HD3 H 1.540 0.025 2 475 568 46 LYS HE2 H 2.878 0.025 2 476 568 46 LYS HE3 H 2.878 0.025 2 477 568 46 LYS HG2 H 1.103 0.025 2 478 568 46 LYS HG3 H 1.248 0.025 2 479 568 46 LYS CA C 54.383 0.2 1 480 568 46 LYS CB C 32.045 0.2 1 481 568 46 LYS CD C 29.100 0.2 1 482 568 46 LYS CE C 42.363 0.2 1 483 568 46 LYS CG C 24.733 0.2 1 484 568 46 LYS N N 128.663 0.2 1 485 569 47 ILE H H 8.106 0.025 1 486 569 47 ILE HA H 3.178 0.025 1 487 569 47 ILE HB H 1.323 0.025 1 488 569 47 ILE HD1 H 0.251 0.025 1 489 569 47 ILE HG12 H 1.026 0.025 2 490 569 47 ILE HG13 H 0.637 0.025 2 491 569 47 ILE HG2 H -0.204 0.025 1 492 569 47 ILE CA C 61.922 0.2 1 493 569 47 ILE CB C 36.919 0.2 1 494 569 47 ILE CD1 C 12.886 0.2 1 495 569 47 ILE CG1 C 27.172 0.2 1 496 569 47 ILE CG2 C 17.095 0.2 1 497 569 47 ILE N N 124.439 0.2 1 498 570 48 GLN H H 6.722 0.025 1 499 570 48 GLN HA H 4.217 0.025 1 500 570 48 GLN HB2 H 2.037 0.025 2 501 570 48 GLN HB3 H 1.785 0.025 2 502 570 48 GLN HE21 H 7.687 0.025 2 503 570 48 GLN HE22 H 6.710 0.025 2 504 570 48 GLN HG2 H 2.029 0.025 2 505 570 48 GLN HG3 H 1.975 0.025 2 506 570 48 GLN CA C 53.393 0.2 1 507 570 48 GLN CB C 31.498 0.2 1 508 570 48 GLN CG C 32.300 0.2 1 509 570 48 GLN N N 122.729 0.2 1 510 570 48 GLN NE2 N 112.512 0.2 1 511 571 49 GLU H H 8.239 0.025 1 512 571 49 GLU HA H 3.742 0.025 1 513 571 49 GLU HB2 H 1.993 0.025 2 514 571 49 GLU HB3 H 1.760 0.025 2 515 571 49 GLU HG2 H 2.141 0.025 2 516 571 49 GLU HG3 H 2.141 0.025 2 517 571 49 GLU CA C 58.239 0.2 1 518 571 49 GLU CB C 31.211 0.2 1 519 571 49 GLU CG C 38.453 0.2 1 520 571 49 GLU N N 116.512 0.2 1 521 572 50 GLY H H 8.990 0.025 1 522 572 50 GLY HA2 H 2.816 0.025 2 523 572 50 GLY HA3 H 4.207 0.025 2 524 572 50 GLY CA C 43.751 0.2 1 525 572 50 GLY N N 111.504 0.2 1 526 573 51 ILE H H 8.438 0.025 1 527 573 51 ILE HA H 4.921 0.025 1 528 573 51 ILE HB H 1.793 0.025 1 529 573 51 ILE HD1 H 0.955 0.025 1 530 573 51 ILE HG12 H 1.848 0.025 2 531 573 51 ILE HG13 H 1.205 0.025 2 532 573 51 ILE HG2 H 0.787 0.025 1 533 573 51 ILE CA C 61.570 0.2 1 534 573 51 ILE CB C 38.350 0.2 1 535 573 51 ILE CD1 C 13.755 0.2 1 536 573 51 ILE CG1 C 28.849 0.2 1 537 573 51 ILE CG2 C 16.590 0.2 1 538 573 51 ILE N N 120.630 0.2 1 539 574 52 VAL H H 8.920 0.025 1 540 574 52 VAL HA H 4.090 0.025 1 541 574 52 VAL HB H 2.228 0.025 1 542 574 52 VAL HG1 H 1.075 0.025 2 543 574 52 VAL HG2 H 1.187 0.025 2 544 574 52 VAL CA C 62.800 0.2 1 545 574 52 VAL CB C 36.220 0.2 1 546 574 52 VAL CG1 C 21.214 0.2 2 547 574 52 VAL CG2 C 23.177 0.2 2 548 574 52 VAL N N 131.440 0.2 1 549 575 53 ASP H H 8.760 0.025 1 550 575 53 ASP HA H 4.971 0.025 1 551 575 53 ASP HB2 H 2.126 0.025 2 552 575 53 ASP HB3 H 3.015 0.025 2 553 575 53 ASP CA C 52.460 0.2 1 554 575 53 ASP CB C 41.000 0.2 1 555 575 53 ASP N N 126.440 0.2 1 556 576 54 TYR H H 8.652 0.025 1 557 576 54 TYR HA H 4.418 0.025 1 558 576 54 TYR HB2 H 2.600 0.025 2 559 576 54 TYR HB3 H 3.238 0.025 2 560 576 54 TYR HD1 H 7.195 0.025 3 561 576 54 TYR HD2 H 7.195 0.025 3 562 576 54 TYR HE1 H 6.626 0.025 3 563 576 54 TYR HE2 H 6.626 0.025 3 564 576 54 TYR CA C 58.230 0.2 1 565 576 54 TYR CB C 38.988 0.2 1 566 576 54 TYR CD1 C 133.629 0.2 3 567 576 54 TYR CE1 C 118.176 0.2 3 568 576 54 TYR N N 131.130 0.2 1 569 577 55 GLY H H 8.410 0.025 1 570 577 55 GLY HA2 H 3.060 0.025 2 571 577 55 GLY HA3 H 4.317 0.025 2 572 577 55 GLY CA C 46.510 0.2 1 573 577 55 GLY N N 115.707 0.2 1 574 578 56 VAL H H 7.165 0.025 1 575 578 56 VAL HA H 3.421 0.025 1 576 578 56 VAL HB H 0.619 0.025 1 577 578 56 VAL HG1 H 0.538 0.025 2 578 578 56 VAL HG2 H -0.179 0.025 2 579 578 56 VAL CA C 60.730 0.2 1 580 578 56 VAL CB C 35.330 0.2 1 581 578 56 VAL CG1 C 24.508 0.2 2 582 578 56 VAL CG2 C 21.779 0.2 2 583 578 56 VAL N N 124.908 0.2 1 584 579 57 ARG H H 8.141 0.025 1 585 579 57 ARG HA H 4.310 0.025 1 586 579 57 ARG HB2 H 1.393 0.025 2 587 579 57 ARG HB3 H 1.266 0.025 2 588 579 57 ARG HD2 H 3.050 0.025 2 589 579 57 ARG HD3 H 2.843 0.025 2 590 579 57 ARG HG2 H 1.280 0.025 2 591 579 57 ARG HG3 H 1.110 0.025 2 592 579 57 ARG CA C 55.340 0.2 1 593 579 57 ARG CB C 29.402 0.2 1 594 579 57 ARG CD C 43.450 0.2 1 595 579 57 ARG CG C 28.414 0.2 1 596 579 57 ARG N N 124.773 0.2 1 597 580 58 PHE H H 8.530 0.025 1 598 580 58 PHE HA H 4.580 0.025 1 599 580 58 PHE HB2 H 2.346 0.025 2 600 580 58 PHE HB3 H 1.470 0.025 2 601 580 58 PHE HD1 H 7.026 0.025 3 602 580 58 PHE HD2 H 7.026 0.025 3 603 580 58 PHE HE1 H 6.941 0.025 3 604 580 58 PHE HE2 H 6.941 0.025 3 605 580 58 PHE HZ H 6.730 0.025 1 606 580 58 PHE CA C 57.686 0.2 1 607 580 58 PHE CB C 42.453 0.2 1 608 580 58 PHE CD1 C 132.875 0.2 3 609 580 58 PHE CE1 C 131.304 0.2 3 610 580 58 PHE CZ C 129.115 0.2 1 611 580 58 PHE N N 124.130 0.2 1 612 581 59 PHE H H 7.696 0.025 1 613 581 59 PHE HA H 4.723 0.025 1 614 581 59 PHE HB2 H 2.677 0.025 2 615 581 59 PHE HB3 H 2.492 0.025 2 616 581 59 PHE HD1 H 7.005 0.025 3 617 581 59 PHE HD2 H 7.005 0.025 3 618 581 59 PHE HE1 H 7.236 0.025 3 619 581 59 PHE HE2 H 7.236 0.025 3 620 581 59 PHE CA C 56.658 0.2 1 621 581 59 PHE CB C 41.202 0.2 1 622 581 59 PHE CD1 C 131.558 0.2 3 623 581 59 PHE CE1 C 131.454 0.2 3 624 581 59 PHE N N 119.687 0.2 1 625 582 60 PHE H H 8.914 0.025 1 626 582 60 PHE HA H 5.572 0.025 1 627 582 60 PHE HB2 H 3.494 0.025 2 628 582 60 PHE HB3 H 2.892 0.025 2 629 582 60 PHE HD1 H 7.333 0.025 3 630 582 60 PHE HD2 H 7.333 0.025 3 631 582 60 PHE HE1 H 6.690 0.025 3 632 582 60 PHE HE2 H 6.690 0.025 3 633 582 60 PHE CA C 57.968 0.2 1 634 582 60 PHE CB C 39.663 0.2 1 635 582 60 PHE CD1 C 132.099 0.2 3 636 582 60 PHE CE1 C 130.466 0.2 3 637 582 60 PHE N N 127.095 0.2 1 638 583 61 TYR H H 8.479 0.025 1 639 583 61 TYR HA H 5.318 0.025 1 640 583 61 TYR HB2 H 2.828 0.025 2 641 583 61 TYR HB3 H 3.261 0.025 2 642 583 61 TYR HD1 H 7.290 0.025 3 643 583 61 TYR HD2 H 7.290 0.025 3 644 583 61 TYR HE1 H 6.638 0.025 3 645 583 61 TYR HE2 H 6.638 0.025 3 646 583 61 TYR CA C 54.861 0.2 1 647 583 61 TYR CB C 41.794 0.2 1 648 583 61 TYR CD1 C 135.309 0.2 3 649 583 61 TYR CE1 C 117.441 0.2 3 650 583 61 TYR N N 119.127 0.2 1 651 584 62 THR H H 9.470 0.025 1 652 584 62 THR HA H 4.685 0.025 1 653 584 62 THR HB H 4.889 0.025 1 654 584 62 THR HG2 H 1.202 0.025 1 655 584 62 THR CA C 60.326 0.2 1 656 584 62 THR CB C 71.851 0.2 1 657 584 62 THR CG2 C 21.767 0.2 1 658 584 62 THR N N 113.472 0.2 1 659 585 63 SER H H 9.113 0.025 1 660 585 63 SER HA H 3.533 0.025 1 661 585 63 SER HB2 H 3.398 0.025 2 662 585 63 SER HB3 H 3.610 0.025 2 663 585 63 SER CA C 59.715 0.2 1 664 585 63 SER CB C 63.195 0.2 1 665 585 63 SER N N 114.133 0.2 1 666 586 64 LYS H H 7.500 0.025 1 667 586 64 LYS HA H 4.089 0.025 1 668 586 64 LYS HB2 H 1.790 0.025 2 669 586 64 LYS HB3 H 1.592 0.025 2 670 586 64 LYS HD2 H 1.549 0.025 2 671 586 64 LYS HD3 H 1.549 0.025 2 672 586 64 LYS HE2 H 2.881 0.025 2 673 586 64 LYS HE3 H 2.881 0.025 2 674 586 64 LYS HG2 H 1.365 0.025 2 675 586 64 LYS HG3 H 1.324 0.025 2 676 586 64 LYS CA C 56.281 0.2 1 677 586 64 LYS CB C 32.898 0.2 1 678 586 64 LYS CD C 29.082 0.2 1 679 586 64 LYS CE C 42.231 0.2 1 680 586 64 LYS CG C 25.211 0.2 1 681 586 64 LYS N N 118.220 0.2 1 682 587 65 GLU H H 7.222 0.025 1 683 587 65 GLU HA H 4.609 0.025 1 684 587 65 GLU HB2 H 2.074 0.025 2 685 587 65 GLU HB3 H 2.074 0.025 2 686 587 65 GLU HG2 H 2.480 0.025 2 687 587 65 GLU HG3 H 2.354 0.025 2 688 587 65 GLU CA C 53.724 0.2 1 689 587 65 GLU CB C 30.723 0.2 1 690 587 65 GLU CG C 36.171 0.2 1 691 587 65 GLU N N 124.874 0.2 1 692 588 66 PRO HA H 4.526 0.025 1 693 588 66 PRO HB2 H 2.492 0.025 2 694 588 66 PRO HB3 H 1.846 0.025 2 695 588 66 PRO HD2 H 4.134 0.025 2 696 588 66 PRO HD3 H 3.640 0.025 2 697 588 66 PRO HG2 H 2.140 0.025 2 698 588 66 PRO HG3 H 2.036 0.025 2 699 588 66 PRO CA C 62.950 0.2 1 700 588 66 PRO CB C 32.660 0.2 1 701 588 66 PRO CD C 51.100 0.2 1 702 588 66 PRO CG C 28.150 0.2 1 703 589 67 VAL H H 8.600 0.025 1 704 589 67 VAL HA H 3.150 0.025 1 705 589 67 VAL HB H 1.832 0.025 1 706 589 67 VAL HG1 H 0.574 0.025 2 707 589 67 VAL HG2 H 0.453 0.025 2 708 589 67 VAL CA C 66.970 0.2 1 709 589 67 VAL CB C 31.325 0.2 1 710 589 67 VAL CG1 C 21.880 0.2 2 711 589 67 VAL CG2 C 22.072 0.2 2 712 589 67 VAL N N 123.210 0.2 1 713 590 68 ALA H H 8.750 0.025 1 714 590 68 ALA HA H 3.970 0.025 1 715 590 68 ALA HB H 1.334 0.025 1 716 590 68 ALA CA C 55.240 0.2 1 717 590 68 ALA CB C 18.490 0.2 1 718 590 68 ALA N N 118.820 0.2 1 719 591 69 SER H H 6.980 0.025 1 720 591 69 SER HA H 4.211 0.025 1 721 591 69 SER HB2 H 3.918 0.025 2 722 591 69 SER HB3 H 4.299 0.025 2 723 591 69 SER CA C 60.380 0.2 1 724 591 69 SER CB C 62.520 0.2 1 725 591 69 SER N N 111.440 0.2 1 726 592 70 ILE H H 7.420 0.025 1 727 592 70 ILE HA H 3.377 0.025 1 728 592 70 ILE HB H 1.506 0.025 1 729 592 70 ILE HD1 H 0.454 0.025 1 730 592 70 ILE HG12 H 1.511 0.025 2 731 592 70 ILE HG13 H 0.661 0.025 2 732 592 70 ILE HG2 H 0.292 0.025 1 733 592 70 ILE CA C 65.700 0.2 1 734 592 70 ILE CB C 38.786 0.2 1 735 592 70 ILE CD1 C 15.830 0.2 1 736 592 70 ILE CG1 C 28.745 0.2 1 737 592 70 ILE CG2 C 17.158 0.2 1 738 592 70 ILE N N 122.430 0.2 1 739 593 71 ILE H H 8.350 0.025 1 740 593 71 ILE HA H 3.264 0.025 1 741 593 71 ILE HB H 1.727 0.025 1 742 593 71 ILE HD1 H 0.539 0.025 1 743 593 71 ILE HG12 H 1.421 0.025 2 744 593 71 ILE HG13 H 0.904 0.025 2 745 593 71 ILE HG2 H 0.641 0.025 1 746 593 71 ILE CA C 65.380 0.2 1 747 593 71 ILE CB C 37.034 0.2 1 748 593 71 ILE CD1 C 12.792 0.2 1 749 593 71 ILE CG1 C 30.266 0.2 1 750 593 71 ILE CG2 C 16.940 0.2 1 751 593 71 ILE N N 117.730 0.2 1 752 594 72 THR H H 7.860 0.025 1 753 594 72 THR HA H 3.860 0.025 1 754 594 72 THR HB H 4.324 0.025 1 755 594 72 THR HG2 H 1.196 0.025 1 756 594 72 THR CA C 67.730 0.2 1 757 594 72 THR CB C 68.750 0.2 1 758 594 72 THR CG2 C 21.708 0.2 1 759 594 72 THR N N 117.197 0.2 1 760 595 73 LYS H H 7.830 0.025 1 761 595 73 LYS HA H 3.950 0.025 1 762 595 73 LYS HB2 H 1.999 0.025 2 763 595 73 LYS HB3 H 1.731 0.025 2 764 595 73 LYS HD2 H 1.832 0.025 2 765 595 73 LYS HD3 H 1.770 0.025 2 766 595 73 LYS HE2 H 2.987 0.025 2 767 595 73 LYS HE3 H 2.795 0.025 2 768 595 73 LYS HG2 H 1.615 0.025 2 769 595 73 LYS HG3 H 1.441 0.025 2 770 595 73 LYS CA C 60.220 0.2 1 771 595 73 LYS CB C 32.796 0.2 1 772 595 73 LYS CD C 30.490 0.2 1 773 595 73 LYS CE C 42.260 0.2 1 774 595 73 LYS CG C 26.647 0.2 1 775 595 73 LYS N N 122.570 0.2 1 776 596 74 LEU H H 8.120 0.025 1 777 596 74 LEU HA H 3.688 0.025 1 778 596 74 LEU HB2 H 0.921 0.025 2 779 596 74 LEU HB3 H 1.661 0.025 2 780 596 74 LEU HD1 H 0.429 0.025 2 781 596 74 LEU HD2 H -0.045 0.025 2 782 596 74 LEU HG H 1.397 0.025 1 783 596 74 LEU CA C 57.580 0.2 1 784 596 74 LEU CB C 41.410 0.2 1 785 596 74 LEU CD1 C 26.194 0.2 2 786 596 74 LEU CD2 C 21.310 0.2 2 787 596 74 LEU CG C 26.177 0.2 1 788 596 74 LEU N N 119.680 0.2 1 789 597 75 ASN H H 8.984 0.025 1 790 597 75 ASN HA H 4.485 0.025 1 791 597 75 ASN HB2 H 2.671 0.025 2 792 597 75 ASN HB3 H 3.039 0.025 2 793 597 75 ASN HD21 H 7.058 0.025 2 794 597 75 ASN HD22 H 7.732 0.025 2 795 597 75 ASN CA C 55.032 0.2 1 796 597 75 ASN CB C 37.500 0.2 1 797 597 75 ASN N N 121.158 0.2 1 798 597 75 ASN ND2 N 109.108 0.2 1 799 598 76 SER H H 7.950 0.025 1 800 598 76 SER HA H 4.150 0.025 1 801 598 76 SER HB2 H 3.911 0.025 2 802 598 76 SER HB3 H 3.954 0.025 2 803 598 76 SER CA C 61.290 0.2 1 804 598 76 SER CB C 62.948 0.2 1 805 598 76 SER N N 116.710 0.2 1 806 599 77 LEU H H 7.560 0.025 1 807 599 77 LEU HA H 3.987 0.025 1 808 599 77 LEU HB2 H 1.789 0.025 2 809 599 77 LEU HB3 H 1.361 0.025 2 810 599 77 LEU HD1 H 0.660 0.025 2 811 599 77 LEU HD2 H 0.836 0.025 2 812 599 77 LEU HG H 1.673 0.025 1 813 599 77 LEU CA C 57.510 0.2 1 814 599 77 LEU CB C 42.164 0.2 1 815 599 77 LEU CD1 C 26.276 0.2 2 816 599 77 LEU CD2 C 23.109 0.2 2 817 599 77 LEU CG C 27.239 0.2 1 818 599 77 LEU N N 121.270 0.2 1 819 600 78 ASN H H 7.775 0.025 1 820 600 78 ASN HA H 4.130 0.025 1 821 600 78 ASN HB2 H 2.302 0.025 2 822 600 78 ASN HB3 H 3.123 0.025 2 823 600 78 ASN HD21 H 7.431 0.025 2 824 600 78 ASN HD22 H 6.472 0.025 2 825 600 78 ASN CA C 53.910 0.2 1 826 600 78 ASN CB C 38.061 0.2 1 827 600 78 ASN N N 113.290 0.2 1 828 600 78 ASN ND2 N 109.445 0.2 1 829 601 79 GLU H H 8.410 0.025 1 830 601 79 GLU HA H 4.519 0.025 1 831 601 79 GLU HB2 H 1.988 0.025 2 832 601 79 GLU HB3 H 1.703 0.025 2 833 601 79 GLU HG2 H 2.057 0.025 2 834 601 79 GLU HG3 H 2.000 0.025 2 835 601 79 GLU CA C 54.594 0.2 1 836 601 79 GLU CB C 31.004 0.2 1 837 601 79 GLU CG C 36.760 0.2 1 838 601 79 GLU N N 118.750 0.2 1 839 602 80 PRO HA H 4.770 0.025 1 840 602 80 PRO HB2 H 2.179 0.025 2 841 602 80 PRO HB3 H 1.780 0.025 2 842 602 80 PRO HD2 H 3.774 0.025 2 843 602 80 PRO HD3 H 3.706 0.025 2 844 602 80 PRO HG2 H 2.107 0.025 2 845 602 80 PRO HG3 H 1.888 0.025 2 846 602 80 PRO CA C 62.489 0.2 1 847 602 80 PRO CB C 32.496 0.2 1 848 602 80 PRO CD C 50.224 0.2 1 849 602 80 PRO CG C 28.156 0.2 1 850 603 81 LEU H H 8.570 0.025 1 851 603 81 LEU HA H 5.777 0.025 1 852 603 81 LEU HB2 H 1.577 0.025 2 853 603 81 LEU HB3 H 1.232 0.025 2 854 603 81 LEU HD1 H 0.770 0.025 2 855 603 81 LEU HD2 H 0.726 0.025 2 856 603 81 LEU HG H 2.006 0.025 1 857 603 81 LEU CA C 53.720 0.2 1 858 603 81 LEU CB C 48.307 0.2 1 859 603 81 LEU CD1 C 26.888 0.2 2 860 603 81 LEU CD2 C 28.794 0.2 2 861 603 81 LEU CG C 26.117 0.2 1 862 603 81 LEU N N 118.360 0.2 1 863 604 82 VAL H H 8.360 0.025 1 864 604 82 VAL HA H 5.119 0.025 1 865 604 82 VAL HB H 1.991 0.025 1 866 604 82 VAL HG1 H 1.028 0.025 2 867 604 82 VAL HG2 H 1.085 0.025 2 868 604 82 VAL CA C 59.900 0.2 1 869 604 82 VAL CB C 34.493 0.2 1 870 604 82 VAL CG1 C 22.334 0.2 2 871 604 82 VAL CG2 C 19.815 0.2 2 872 604 82 VAL N N 121.440 0.2 1 873 605 83 THR H H 8.600 0.025 1 874 605 83 THR HA H 5.120 0.025 1 875 605 83 THR HB H 3.521 0.025 1 876 605 83 THR HG2 H 0.821 0.025 1 877 605 83 THR CA C 59.950 0.2 1 878 605 83 THR CB C 71.736 0.2 1 879 605 83 THR CG2 C 20.139 0.2 1 880 605 83 THR N N 117.700 0.2 1 881 606 84 MET H H 8.320 0.025 1 882 606 84 MET HA H 5.330 0.025 1 883 606 84 MET HB2 H 2.233 0.025 2 884 606 84 MET HB3 H 1.921 0.025 2 885 606 84 MET HE H 2.181 0.025 1 886 606 84 MET HG2 H 2.892 0.025 2 887 606 84 MET HG3 H 2.561 0.025 2 888 606 84 MET CA C 55.850 0.2 1 889 606 84 MET CB C 31.869 0.2 1 890 606 84 MET CE C 17.813 0.2 1 891 606 84 MET CG C 33.575 0.2 1 892 606 84 MET N N 125.443 0.2 1 893 607 85 PRO HA H 4.060 0.025 1 894 607 85 PRO HB2 H 2.014 0.025 2 895 607 85 PRO HB3 H 1.776 0.025 2 896 607 85 PRO HD2 H 3.995 0.025 2 897 607 85 PRO HD3 H 3.367 0.025 2 898 607 85 PRO HG2 H 1.637 0.025 2 899 607 85 PRO HG3 H 1.499 0.025 2 900 607 85 PRO CA C 63.862 0.2 1 901 607 85 PRO CB C 31.590 0.2 1 902 607 85 PRO CD C 49.711 0.2 1 903 607 85 PRO CG C 28.596 0.2 1 904 608 86 ILE H H 8.350 0.025 1 905 608 86 ILE HA H 3.429 0.025 1 906 608 86 ILE HB H 1.668 0.025 1 907 608 86 ILE HD1 H 0.588 0.025 1 908 608 86 ILE HG12 H 1.503 0.025 2 909 608 86 ILE HG13 H 1.161 0.025 2 910 608 86 ILE HG2 H 0.425 0.025 1 911 608 86 ILE CA C 63.815 0.2 1 912 608 86 ILE CB C 36.165 0.2 1 913 608 86 ILE CD1 C 11.464 0.2 1 914 608 86 ILE CG1 C 28.340 0.2 1 915 608 86 ILE CG2 C 17.334 0.2 1 916 608 86 ILE N N 133.090 0.2 1 917 609 87 GLY H H 8.570 0.025 1 918 609 87 GLY HA2 H 3.458 0.025 2 919 609 87 GLY HA3 H 4.110 0.025 2 920 609 87 GLY CA C 44.969 0.2 1 921 609 87 GLY N N 111.613 0.2 1 922 610 88 TYR H H 7.250 0.025 1 923 610 88 TYR HA H 4.423 0.025 1 924 610 88 TYR HB2 H 3.020 0.025 2 925 610 88 TYR HB3 H 2.728 0.025 2 926 610 88 TYR HD1 H 7.051 0.025 3 927 610 88 TYR HD2 H 7.051 0.025 3 928 610 88 TYR HE1 H 6.898 0.025 3 929 610 88 TYR HE2 H 6.898 0.025 3 930 610 88 TYR CA C 58.229 0.2 1 931 610 88 TYR CB C 38.904 0.2 1 932 610 88 TYR CD1 C 132.914 0.2 3 933 610 88 TYR CE1 C 119.424 0.2 3 934 610 88 TYR N N 121.430 0.2 1 935 611 89 VAL H H 8.971 0.025 1 936 611 89 VAL HA H 3.071 0.025 1 937 611 89 VAL HB H 2.471 0.025 1 938 611 89 VAL HG1 H 0.041 0.025 2 939 611 89 VAL HG2 H 0.724 0.025 2 940 611 89 VAL CA C 70.336 0.2 1 941 611 89 VAL CB C 30.870 0.2 1 942 611 89 VAL CG1 C 20.704 0.2 2 943 611 89 VAL CG2 C 21.642 0.2 2 944 611 89 VAL N N 128.030 0.2 1 945 612 90 THR H H 9.378 0.025 1 946 612 90 THR HA H 3.824 0.025 1 947 612 90 THR HB H 4.298 0.025 1 948 612 90 THR HG2 H 1.287 0.025 1 949 612 90 THR CA C 65.090 0.2 1 950 612 90 THR CB C 68.300 0.2 1 951 612 90 THR CG2 C 22.233 0.2 1 952 612 90 THR N N 117.990 0.2 1 953 613 91 HIS H H 7.670 0.025 1 954 613 91 HIS HA H 4.720 0.025 1 955 613 91 HIS HB2 H 2.256 0.025 2 956 613 91 HIS HB3 H 3.051 0.025 2 957 613 91 HIS HD2 H 6.950 0.025 1 958 613 91 HIS HE1 H 7.780 0.025 1 959 613 91 HIS CA C 55.670 0.2 1 960 613 91 HIS CB C 29.620 0.2 1 961 613 91 HIS CD2 C 120.612 0.2 1 962 613 91 HIS CE1 C 138.546 0.2 1 963 613 91 HIS N N 119.080 0.2 1 964 614 92 GLY H H 7.662 0.025 1 965 614 92 GLY HA2 H 3.675 0.025 2 966 614 92 GLY HA3 H 4.102 0.025 2 967 614 92 GLY CA C 45.388 0.2 1 968 614 92 GLY N N 106.033 0.2 1 969 615 93 PHE H H 6.740 0.025 1 970 615 93 PHE HA H 5.255 0.025 1 971 615 93 PHE HB2 H 3.591 0.025 2 972 615 93 PHE HB3 H 3.023 0.025 2 973 615 93 PHE HD1 H 6.912 0.025 3 974 615 93 PHE HD2 H 6.912 0.025 3 975 615 93 PHE HE1 H 7.370 0.025 3 976 615 93 PHE HE2 H 7.370 0.025 3 977 615 93 PHE HZ H 7.232 0.025 1 978 615 93 PHE CA C 54.280 0.2 1 979 615 93 PHE CB C 38.780 0.2 1 980 615 93 PHE CD1 C 129.576 0.2 3 981 615 93 PHE CE1 C 132.251 0.2 3 982 615 93 PHE CZ C 129.782 0.2 1 983 615 93 PHE N N 116.200 0.2 1 984 616 94 ASN H H 9.165 0.025 1 985 616 94 ASN HA H 4.970 0.025 1 986 616 94 ASN HB2 H 3.031 0.025 2 987 616 94 ASN HB3 H 3.585 0.025 2 988 616 94 ASN HD21 H 7.009 0.025 2 989 616 94 ASN HD22 H 7.340 0.025 2 990 616 94 ASN CA C 51.660 0.2 1 991 616 94 ASN CB C 38.067 0.2 1 992 616 94 ASN N N 122.160 0.2 1 993 616 94 ASN ND2 N 110.137 0.2 1 994 617 95 LEU H H 8.708 0.025 1 995 617 95 LEU HA H 3.844 0.025 1 996 617 95 LEU HB2 H 1.522 0.025 2 997 617 95 LEU HB3 H 1.891 0.025 2 998 617 95 LEU HD1 H 0.878 0.025 2 999 617 95 LEU HD2 H 0.576 0.025 2 1000 617 95 LEU HG H 1.790 0.025 1 1001 617 95 LEU CA C 58.820 0.2 1 1002 617 95 LEU CB C 42.405 0.2 1 1003 617 95 LEU CD1 C 24.859 0.2 2 1004 617 95 LEU CD2 C 23.344 0.2 2 1005 617 95 LEU CG C 27.166 0.2 1 1006 617 95 LEU N N 119.260 0.2 1 1007 618 96 GLU H H 7.775 0.025 1 1008 618 96 GLU HA H 2.872 0.025 1 1009 618 96 GLU HB2 H 1.520 0.025 2 1010 618 96 GLU HB3 H 0.795 0.025 2 1011 618 96 GLU HG2 H 1.555 0.025 2 1012 618 96 GLU HG3 H 1.246 0.025 2 1013 618 96 GLU CA C 59.746 0.2 1 1014 618 96 GLU CB C 28.623 0.2 1 1015 618 96 GLU CG C 35.926 0.2 1 1016 618 96 GLU N N 120.207 0.2 1 1017 619 97 GLU H H 8.530 0.025 1 1018 619 97 GLU HA H 3.510 0.025 1 1019 619 97 GLU HB2 H 1.917 0.025 2 1020 619 97 GLU HB3 H 1.178 0.025 2 1021 619 97 GLU HG2 H 1.856 0.025 2 1022 619 97 GLU HG3 H 2.170 0.025 2 1023 619 97 GLU CA C 58.560 0.2 1 1024 619 97 GLU CB C 29.499 0.2 1 1025 619 97 GLU CG C 36.689 0.2 1 1026 619 97 GLU N N 119.090 0.2 1 1027 620 98 ALA H H 8.350 0.025 1 1028 620 98 ALA HA H 4.222 0.025 1 1029 620 98 ALA HB H 1.459 0.025 1 1030 620 98 ALA CA C 55.060 0.2 1 1031 620 98 ALA CB C 19.022 0.2 1 1032 620 98 ALA N N 121.190 0.2 1 1033 621 99 ALA H H 8.580 0.025 1 1034 621 99 ALA HA H 3.841 0.025 1 1035 621 99 ALA HB H 1.053 0.025 1 1036 621 99 ALA CA C 55.400 0.2 1 1037 621 99 ALA CB C 18.720 0.2 1 1038 621 99 ALA N N 121.400 0.2 1 1039 622 100 ARG H H 7.636 0.025 1 1040 622 100 ARG HA H 3.655 0.025 1 1041 622 100 ARG HB2 H 1.725 0.025 2 1042 622 100 ARG HB3 H 1.725 0.025 2 1043 622 100 ARG HD2 H 3.016 0.025 2 1044 622 100 ARG HD3 H 2.988 0.025 2 1045 622 100 ARG HG2 H 1.357 0.025 2 1046 622 100 ARG HG3 H 1.600 0.025 2 1047 622 100 ARG CA C 59.950 0.2 1 1048 622 100 ARG CB C 29.720 0.2 1 1049 622 100 ARG CD C 43.593 0.2 1 1050 622 100 ARG CG C 27.990 0.2 1 1051 622 100 ARG N N 114.883 0.2 1 1052 623 101 CYS H H 7.528 0.025 1 1053 623 101 CYS HA H 4.097 0.025 1 1054 623 101 CYS HB2 H 2.978 0.025 2 1055 623 101 CYS HB3 H 2.734 0.025 2 1056 623 101 CYS CA C 62.670 0.2 1 1057 623 101 CYS CB C 26.697 0.2 1 1058 623 101 CYS N N 118.681 0.2 1 1059 624 102 MET H H 8.347 0.025 1 1060 624 102 MET HA H 4.170 0.025 1 1061 624 102 MET HB2 H 2.426 0.025 2 1062 624 102 MET HB3 H 1.919 0.025 2 1063 624 102 MET HE H 1.900 0.025 1 1064 624 102 MET HG2 H 2.868 0.025 2 1065 624 102 MET HG3 H 2.868 0.025 2 1066 624 102 MET CA C 56.228 0.2 1 1067 624 102 MET CB C 30.733 0.2 1 1068 624 102 MET CE C 18.248 0.2 1 1069 624 102 MET CG C 33.334 0.2 1 1070 624 102 MET N N 119.390 0.2 1 1071 625 103 ARG H H 7.529 0.025 1 1072 625 103 ARG HA H 4.030 0.025 1 1073 625 103 ARG HB2 H 1.895 0.025 2 1074 625 103 ARG HB3 H 1.780 0.025 2 1075 625 103 ARG HD2 H 3.155 0.025 2 1076 625 103 ARG HD3 H 3.155 0.025 2 1077 625 103 ARG HG2 H 1.670 0.025 2 1078 625 103 ARG HG3 H 1.670 0.025 2 1079 625 103 ARG CA C 59.000 0.2 1 1080 625 103 ARG CB C 30.750 0.2 1 1081 625 103 ARG CD C 44.130 0.2 1 1082 625 103 ARG CG C 27.770 0.2 1 1083 625 103 ARG N N 120.660 0.2 1 1084 626 104 SER H H 7.654 0.025 1 1085 626 104 SER HA H 4.289 0.025 1 1086 626 104 SER HB2 H 3.915 0.025 2 1087 626 104 SER CA C 59.296 0.2 1 1088 626 104 SER CB C 64.056 0.2 1 1089 626 104 SER N N 111.171 0.2 1 1090 627 105 LEU H H 7.613 0.025 1 1091 627 105 LEU HA H 4.410 0.025 1 1092 627 105 LEU HB2 H 1.189 0.025 2 1093 627 105 LEU HB3 H 2.202 0.025 2 1094 627 105 LEU HD1 H 0.746 0.025 2 1095 627 105 LEU HD2 H 0.857 0.025 2 1096 627 105 LEU HG H 1.567 0.025 1 1097 627 105 LEU CA C 55.311 0.2 1 1098 627 105 LEU CB C 42.444 0.2 1 1099 627 105 LEU CD1 C 26.742 0.2 2 1100 627 105 LEU CD2 C 24.507 0.2 2 1101 627 105 LEU CG C 27.280 0.2 1 1102 627 105 LEU N N 125.027 0.2 1 1103 628 106 LYS H H 9.738 0.025 1 1104 628 106 LYS HA H 4.241 0.025 1 1105 628 106 LYS HB2 H 1.446 0.025 2 1106 628 106 LYS HB3 H 1.749 0.025 2 1107 628 106 LYS HD2 H 1.503 0.025 2 1108 628 106 LYS HD3 H 1.503 0.025 2 1109 628 106 LYS HE2 H 2.866 0.025 2 1110 628 106 LYS HE3 H 2.866 0.025 2 1111 628 106 LYS HG2 H 1.360 0.025 2 1112 628 106 LYS HG3 H 1.248 0.025 2 1113 628 106 LYS CA C 55.569 0.2 1 1114 628 106 LYS CB C 33.628 0.2 1 1115 628 106 LYS CD C 28.832 0.2 1 1116 628 106 LYS CE C 42.358 0.2 1 1117 628 106 LYS CG C 24.850 0.2 1 1118 628 106 LYS N N 128.610 0.2 1 1119 629 107 ALA H H 6.620 0.025 1 1120 629 107 ALA HA H 4.433 0.025 1 1121 629 107 ALA HB H 1.164 0.025 1 1122 629 107 ALA CA C 50.303 0.2 1 1123 629 107 ALA CB C 17.541 0.2 1 1124 629 107 ALA N N 124.106 0.2 1 1125 630 108 PRO HA H 4.310 0.025 1 1126 630 108 PRO HB2 H 2.223 0.025 2 1127 630 108 PRO HB3 H 1.766 0.025 2 1128 630 108 PRO HD2 H 3.714 0.025 2 1129 630 108 PRO HD3 H 3.045 0.025 2 1130 630 108 PRO HG2 H 1.933 0.025 2 1131 630 108 PRO HG3 H 1.933 0.025 2 1132 630 108 PRO CA C 63.150 0.2 1 1133 630 108 PRO CB C 32.090 0.2 1 1134 630 108 PRO CD C 50.024 0.2 1 1135 630 108 PRO CG C 28.244 0.2 1 1136 631 109 ALA H H 7.930 0.025 1 1137 631 109 ALA HA H 5.103 0.025 1 1138 631 109 ALA HB H 0.988 0.025 1 1139 631 109 ALA CA C 51.360 0.2 1 1140 631 109 ALA CB C 22.560 0.2 1 1141 631 109 ALA N N 122.500 0.2 1 1142 632 110 VAL H H 8.091 0.025 1 1143 632 110 VAL HA H 4.179 0.025 1 1144 632 110 VAL HB H 1.704 0.025 1 1145 632 110 VAL HG1 H 0.730 0.025 2 1146 632 110 VAL HG2 H 0.264 0.025 2 1147 632 110 VAL CA C 62.030 0.2 1 1148 632 110 VAL CB C 33.260 0.2 1 1149 632 110 VAL CG1 C 21.795 0.2 2 1150 632 110 VAL CG2 C 21.795 0.2 2 1151 632 110 VAL N N 125.563 0.2 1 1152 633 111 VAL H H 8.205 0.025 1 1153 633 111 VAL HA H 4.740 0.025 1 1154 633 111 VAL HB H 1.698 0.025 1 1155 633 111 VAL HG1 H 0.332 0.025 2 1156 633 111 VAL HG2 H 0.613 0.025 2 1157 633 111 VAL CA C 60.320 0.2 1 1158 633 111 VAL CB C 33.219 0.2 1 1159 633 111 VAL CG1 C 20.341 0.2 2 1160 633 111 VAL CG2 C 21.752 0.2 2 1161 633 111 VAL N N 128.158 0.2 1 1162 634 112 SER H H 8.613 0.025 1 1163 634 112 SER HA H 4.940 0.025 1 1164 634 112 SER HB2 H 2.965 0.025 2 1165 634 112 SER HB3 H 3.810 0.025 2 1166 634 112 SER CA C 54.190 0.2 1 1167 634 112 SER CB C 65.000 0.2 1 1168 634 112 SER N N 119.336 0.2 1 1169 635 113 VAL H H 8.530 0.025 1 1170 635 113 VAL HA H 4.540 0.025 1 1171 635 113 VAL HB H 2.086 0.025 1 1172 635 113 VAL HG1 H 0.485 0.025 2 1173 635 113 VAL HG2 H 0.238 0.025 2 1174 635 113 VAL CA C 59.760 0.2 1 1175 635 113 VAL CB C 32.957 0.2 1 1176 635 113 VAL CG1 C 19.730 0.2 2 1177 635 113 VAL CG2 C 21.880 0.2 2 1178 635 113 VAL N N 119.000 0.2 1 1179 636 114 SER H H 8.290 0.025 1 1180 636 114 SER HA H 3.948 0.025 1 1181 636 114 SER HB2 H 3.965 0.025 2 1182 636 114 SER HB3 H 4.035 0.025 2 1183 636 114 SER CA C 61.920 0.2 1 1184 636 114 SER CB C 63.760 0.2 1 1185 636 114 SER N N 112.705 0.2 1 1186 637 115 SER H H 7.276 0.025 1 1187 637 115 SER HA H 4.968 0.025 1 1188 637 115 SER HB2 H 4.098 0.025 2 1189 637 115 SER HB3 H 3.797 0.025 2 1190 637 115 SER CA C 56.060 0.2 1 1191 637 115 SER CB C 64.374 0.2 1 1192 637 115 SER N N 114.554 0.2 1 1193 638 116 PRO HA H 4.197 0.025 1 1194 638 116 PRO HB2 H 2.397 0.025 2 1195 638 116 PRO HB3 H 1.972 0.025 2 1196 638 116 PRO HD2 H 3.891 0.025 2 1197 638 116 PRO HD3 H 3.849 0.025 2 1198 638 116 PRO HG2 H 2.151 0.025 2 1199 638 116 PRO HG3 H 2.097 0.025 2 1200 638 116 PRO CA C 65.321 0.2 1 1201 638 116 PRO CB C 32.301 0.2 1 1202 638 116 PRO CD C 50.997 0.2 1 1203 638 116 PRO CG C 28.052 0.2 1 1204 639 117 ASP H H 8.179 0.025 1 1205 639 117 ASP HA H 4.373 0.025 1 1206 639 117 ASP HB2 H 2.514 0.025 2 1207 639 117 ASP HB3 H 2.610 0.025 2 1208 639 117 ASP CA C 56.280 0.2 1 1209 639 117 ASP CB C 40.388 0.2 1 1210 639 117 ASP N N 116.333 0.2 1 1211 640 118 ALA H H 7.630 0.025 1 1212 640 118 ALA HA H 4.237 0.025 1 1213 640 118 ALA HB H 1.375 0.025 1 1214 640 118 ALA CA C 53.310 0.2 1 1215 640 118 ALA CB C 18.590 0.2 1 1216 640 118 ALA N N 121.070 0.2 1 1217 641 119 VAL H H 7.320 0.025 1 1218 641 119 VAL HA H 3.241 0.025 1 1219 641 119 VAL HB H 2.138 0.025 1 1220 641 119 VAL HG1 H 0.687 0.025 2 1221 641 119 VAL HG2 H 0.670 0.025 2 1222 641 119 VAL CA C 66.980 0.2 1 1223 641 119 VAL CB C 31.813 0.2 1 1224 641 119 VAL CG1 C 22.686 0.2 2 1225 641 119 VAL CG2 C 21.175 0.2 2 1226 641 119 VAL N N 120.950 0.2 1 1227 642 120 THR H H 7.490 0.025 1 1228 642 120 THR HA H 3.860 0.025 1 1229 642 120 THR HB H 4.110 0.025 1 1230 642 120 THR HG2 H 1.143 0.025 1 1231 642 120 THR CA C 65.640 0.2 1 1232 642 120 THR CB C 68.520 0.2 1 1233 642 120 THR CG2 C 22.366 0.2 1 1234 642 120 THR N N 112.820 0.2 1 1235 643 121 THR H H 7.364 0.025 1 1236 643 121 THR HA H 3.490 0.025 1 1237 643 121 THR HB H 3.824 0.025 1 1238 643 121 THR HG2 H 0.984 0.025 1 1239 643 121 THR CA C 65.680 0.2 1 1240 643 121 THR CB C 68.717 0.2 1 1241 643 121 THR CG2 C 22.732 0.2 1 1242 643 121 THR N N 119.234 0.2 1 1243 644 122 TYR H H 8.803 0.025 1 1244 644 122 TYR HA H 3.783 0.025 1 1245 644 122 TYR HB2 H 2.968 0.025 2 1246 644 122 TYR HB3 H 2.892 0.025 2 1247 644 122 TYR HD1 H 6.861 0.025 3 1248 644 122 TYR HD2 H 6.861 0.025 3 1249 644 122 TYR HE1 H 6.382 0.025 3 1250 644 122 TYR HE2 H 6.382 0.025 3 1251 644 122 TYR CA C 62.640 0.2 1 1252 644 122 TYR CB C 39.406 0.2 1 1253 644 122 TYR CD1 C 133.463 0.2 3 1254 644 122 TYR CE1 C 117.528 0.2 3 1255 644 122 TYR N N 122.890 0.2 1 1256 645 123 ASN H H 8.321 0.025 1 1257 645 123 ASN HA H 4.300 0.025 1 1258 645 123 ASN HB2 H 2.782 0.025 2 1259 645 123 ASN HB3 H 2.665 0.025 2 1260 645 123 ASN HD21 H 6.809 0.025 2 1261 645 123 ASN HD22 H 7.520 0.025 2 1262 645 123 ASN CA C 55.370 0.2 1 1263 645 123 ASN CB C 37.344 0.2 1 1264 645 123 ASN N N 116.442 0.2 1 1265 645 123 ASN ND2 N 110.406 0.2 1 1266 646 124 GLY H H 7.800 0.025 1 1267 646 124 GLY HA2 H 3.651 0.025 2 1268 646 124 GLY HA3 H 3.709 0.025 2 1269 646 124 GLY CA C 46.887 0.2 1 1270 646 124 GLY N N 108.320 0.2 1 1271 647 125 TYR H H 7.410 0.025 1 1272 647 125 TYR HA H 4.600 0.025 1 1273 647 125 TYR HB2 H 2.996 0.025 2 1274 647 125 TYR HB3 H 2.702 0.025 2 1275 647 125 TYR HD1 H 6.777 0.025 3 1276 647 125 TYR HD2 H 6.777 0.025 3 1277 647 125 TYR HE1 H 6.525 0.025 3 1278 647 125 TYR HE2 H 6.525 0.025 3 1279 647 125 TYR CA C 57.690 0.2 1 1280 647 125 TYR CB C 37.857 0.2 1 1281 647 125 TYR CD1 C 132.139 0.2 3 1282 647 125 TYR CE1 C 118.513 0.2 3 1283 647 125 TYR N N 120.540 0.2 1 1284 648 126 LEU H H 7.860 0.025 1 1285 648 126 LEU HA H 3.805 0.025 1 1286 648 126 LEU HB2 H 1.488 0.025 2 1287 648 126 LEU HB3 H 1.488 0.025 2 1288 648 126 LEU HD1 H 0.591 0.025 2 1289 648 126 LEU HD2 H 0.706 0.025 2 1290 648 126 LEU HG H 1.373 0.025 1 1291 648 126 LEU CA C 57.050 0.2 1 1292 648 126 LEU CB C 42.598 0.2 1 1293 648 126 LEU CD1 C 23.611 0.2 2 1294 648 126 LEU CD2 C 25.004 0.2 2 1295 648 126 LEU CG C 26.565 0.2 1 1296 648 126 LEU N N 119.705 0.2 1 1297 649 127 THR H H 7.570 0.025 1 1298 649 127 THR HA H 4.206 0.025 1 1299 649 127 THR HB H 4.267 0.025 1 1300 649 127 THR HG2 H 1.133 0.025 1 1301 649 127 THR CA C 62.410 0.2 1 1302 649 127 THR CB C 69.751 0.2 1 1303 649 127 THR CG2 C 21.646 0.2 1 1304 649 127 THR N N 109.230 0.2 1 1305 650 128 SER H H 7.790 0.025 1 1306 650 128 SER HA H 4.364 0.025 1 1307 650 128 SER HB2 H 3.916 0.025 2 1308 650 128 SER HB3 H 3.861 0.025 2 1309 650 128 SER CA C 59.030 0.2 1 1310 650 128 SER CB C 63.790 0.2 1 1311 650 128 SER N N 117.609 0.2 1 1312 651 129 SER H H 8.242 0.025 1 1313 651 129 SER HA H 4.443 0.025 1 1314 651 129 SER HB2 H 3.772 0.025 2 1315 651 129 SER CA C 58.470 0.2 1 1316 651 129 SER CB C 63.829 0.2 1 1317 651 129 SER N N 117.994 0.2 1 1318 652 130 SER H H 8.246 0.025 1 1319 652 130 SER HA H 4.380 0.025 1 1320 652 130 SER HB2 H 3.847 0.025 2 1321 652 130 SER HB3 H 3.780 0.025 2 1322 652 130 SER CA C 58.489 0.2 1 1323 652 130 SER CB C 63.898 0.2 1 1324 652 130 SER N N 117.335 0.2 1 1325 653 131 LYS H H 8.191 0.025 1 1326 653 131 LYS HA H 4.426 0.025 1 1327 653 131 LYS HB2 H 1.624 0.025 2 1328 653 131 LYS HB3 H 1.482 0.025 2 1329 653 131 LYS HD2 H 2.121 0.025 2 1330 653 131 LYS HD3 H 2.137 0.025 2 1331 653 131 LYS HG2 H 1.283 0.025 2 1332 653 131 LYS HG3 H 1.370 0.025 2 1333 653 131 LYS CA C 56.175 0.2 1 1334 653 131 LYS CB C 33.883 0.2 1 1335 653 131 LYS CD C 30.302 0.2 1 1336 653 131 LYS CG C 25.384 0.2 1 1337 653 131 LYS N N 123.241 0.2 1 1338 654 132 THR H H 8.422 0.025 1 1339 654 132 THR HA H 4.444 0.025 1 1340 654 132 THR HB H 4.730 0.025 1 1341 654 132 THR HG2 H 1.280 0.025 1 1342 654 132 THR CA C 60.994 0.2 1 1343 654 132 THR CB C 71.850 0.2 1 1344 654 132 THR CG2 C 22.293 0.2 1 1345 654 132 THR N N 113.491 0.2 1 1346 655 133 SER H H 9.110 0.025 1 1347 655 133 SER HA H 4.212 0.025 1 1348 655 133 SER HB2 H 3.789 0.025 2 1349 655 133 SER HB3 H 3.789 0.025 2 1350 655 133 SER CA C 62.024 0.2 1 1351 655 133 SER CB C 62.630 0.2 1 1352 655 133 SER N N 117.789 0.2 1 1353 656 134 GLU H H 9.787 0.025 1 1354 656 134 GLU HA H 3.949 0.025 1 1355 656 134 GLU HB2 H 2.167 0.025 2 1356 656 134 GLU HB3 H 1.567 0.025 2 1357 656 134 GLU HG2 H 2.211 0.025 2 1358 656 134 GLU HG3 H 2.806 0.025 2 1359 656 134 GLU CA C 62.544 0.2 1 1360 656 134 GLU CB C 28.641 0.2 1 1361 656 134 GLU CG C 38.720 0.2 1 1362 656 134 GLU N N 123.021 0.2 1 1363 657 135 GLU H H 7.687 0.025 1 1364 657 135 GLU HA H 3.642 0.025 1 1365 657 135 GLU HB2 H 1.835 0.025 2 1366 657 135 GLU HB3 H 2.135 0.025 2 1367 657 135 GLU HG2 H 2.081 0.025 2 1368 657 135 GLU HG3 H 2.338 0.025 2 1369 657 135 GLU CA C 59.498 0.2 1 1370 657 135 GLU CB C 30.040 0.2 1 1371 657 135 GLU CG C 37.286 0.2 1 1372 657 135 GLU N N 118.652 0.2 1 1373 658 136 HIS H H 8.659 0.025 1 1374 658 136 HIS HA H 4.282 0.025 1 1375 658 136 HIS HB2 H 3.092 0.025 2 1376 658 136 HIS HB3 H 3.159 0.025 2 1377 658 136 HIS HD2 H 6.934 0.025 1 1378 658 136 HIS HE1 H 7.758 0.025 1 1379 658 136 HIS CA C 59.578 0.2 1 1380 658 136 HIS CB C 30.367 0.2 1 1381 658 136 HIS CD2 C 120.391 0.2 1 1382 658 136 HIS CE1 C 138.550 0.2 1 1383 658 136 HIS N N 119.272 0.2 1 1384 659 137 PHE H H 8.219 0.025 1 1385 659 137 PHE HA H 4.283 0.025 1 1386 659 137 PHE HB2 H 3.085 0.025 2 1387 659 137 PHE HB3 H 3.253 0.025 2 1388 659 137 PHE HD1 H 6.987 0.025 3 1389 659 137 PHE HD2 H 6.987 0.025 3 1390 659 137 PHE HE1 H 6.603 0.025 3 1391 659 137 PHE HE2 H 6.603 0.025 3 1392 659 137 PHE HZ H 5.513 0.025 1 1393 659 137 PHE CA C 61.880 0.2 1 1394 659 137 PHE CB C 39.839 0.2 1 1395 659 137 PHE CD1 C 131.900 0.2 3 1396 659 137 PHE CE1 C 130.904 0.2 3 1397 659 137 PHE CZ C 129.100 0.2 1 1398 659 137 PHE N N 122.109 0.2 1 1399 660 138 VAL H H 7.806 0.025 1 1400 660 138 VAL HA H 3.439 0.025 1 1401 660 138 VAL HB H 1.801 0.025 1 1402 660 138 VAL HG1 H 0.555 0.025 2 1403 660 138 VAL HG2 H 0.320 0.025 2 1404 660 138 VAL CA C 66.576 0.2 1 1405 660 138 VAL CB C 31.792 0.2 1 1406 660 138 VAL CG1 C 21.648 0.2 2 1407 660 138 VAL CG2 C 22.382 0.2 2 1408 660 138 VAL N N 117.376 0.2 1 1409 661 139 GLU H H 7.928 0.025 1 1410 661 139 GLU HA H 3.768 0.025 1 1411 661 139 GLU HB2 H 2.014 0.025 2 1412 661 139 GLU HB3 H 2.196 0.025 2 1413 661 139 GLU HG2 H 2.046 0.025 2 1414 661 139 GLU HG3 H 2.203 0.025 2 1415 661 139 GLU CA C 59.788 0.2 1 1416 661 139 GLU CB C 29.920 0.2 1 1417 661 139 GLU CG C 36.429 0.2 1 1418 661 139 GLU N N 119.540 0.2 1 1419 662 140 THR H H 8.370 0.025 1 1420 662 140 THR HA H 3.720 0.025 1 1421 662 140 THR HB H 4.064 0.025 1 1422 662 140 THR HG2 H 1.089 0.025 1 1423 662 140 THR CA C 66.512 0.2 1 1424 662 140 THR CB C 69.054 0.2 1 1425 662 140 THR CG2 C 21.520 0.2 1 1426 662 140 THR N N 114.480 0.2 1 1427 663 141 VAL H H 8.103 0.025 1 1428 663 141 VAL HA H 3.436 0.025 1 1429 663 141 VAL HB H 1.768 0.025 1 1430 663 141 VAL HG1 H 0.428 0.025 2 1431 663 141 VAL HG2 H 0.161 0.025 2 1432 663 141 VAL CA C 66.724 0.2 1 1433 663 141 VAL CB C 31.711 0.2 1 1434 663 141 VAL CG1 C 22.988 0.2 2 1435 663 141 VAL CG2 C 23.768 0.2 2 1436 663 141 VAL N N 123.462 0.2 1 1437 664 142 SER H H 8.280 0.025 1 1438 664 142 SER HA H 2.257 0.025 1 1439 664 142 SER HB2 H 3.506 0.025 2 1440 664 142 SER HB3 H 3.319 0.025 2 1441 664 142 SER CA C 60.889 0.2 1 1442 664 142 SER CB C 62.460 0.2 1 1443 664 142 SER N N 115.744 0.2 1 1444 665 143 LEU H H 7.223 0.025 1 1445 665 143 LEU HA H 4.042 0.025 1 1446 665 143 LEU HB2 H 1.444 0.025 2 1447 665 143 LEU HB3 H 1.659 0.025 2 1448 665 143 LEU HD1 H 0.781 0.025 2 1449 665 143 LEU HD2 H 0.773 0.025 2 1450 665 143 LEU HG H 1.633 0.025 1 1451 665 143 LEU CA C 56.868 0.2 1 1452 665 143 LEU CB C 42.356 0.2 1 1453 665 143 LEU CD1 C 25.200 0.2 2 1454 665 143 LEU CD2 C 23.606 0.2 2 1455 665 143 LEU CG C 27.026 0.2 1 1456 665 143 LEU N N 121.379 0.2 1 1457 666 144 ALA H H 7.551 0.025 1 1458 666 144 ALA HA H 4.191 0.025 1 1459 666 144 ALA HB H 1.608 0.025 1 1460 666 144 ALA CA C 54.040 0.2 1 1461 666 144 ALA CB C 19.902 0.2 1 1462 666 144 ALA N N 120.699 0.2 1 1463 667 145 GLY H H 8.564 0.025 1 1464 667 145 GLY HA2 H 3.520 0.025 2 1465 667 145 GLY HA3 H 4.447 0.025 2 1466 667 145 GLY CA C 45.937 0.2 1 1467 667 145 GLY N N 104.905 0.2 1 1468 668 146 SER H H 7.516 0.025 1 1469 668 146 SER HA H 4.678 0.025 1 1470 668 146 SER HB2 H 4.136 0.025 2 1471 668 146 SER HB3 H 3.801 0.025 2 1472 668 146 SER CA C 57.637 0.2 1 1473 668 146 SER CB C 65.116 0.2 1 1474 668 146 SER N N 112.076 0.2 1 1475 669 147 TYR H H 8.576 0.025 1 1476 669 147 TYR HA H 4.328 0.025 1 1477 669 147 TYR HB2 H 2.619 0.025 2 1478 669 147 TYR HB3 H 2.619 0.025 2 1479 669 147 TYR HD1 H 6.892 0.025 3 1480 669 147 TYR HD2 H 6.892 0.025 3 1481 669 147 TYR HE1 H 6.727 0.025 3 1482 669 147 TYR HE2 H 6.727 0.025 3 1483 669 147 TYR CA C 58.998 0.2 1 1484 669 147 TYR CB C 41.058 0.2 1 1485 669 147 TYR CD1 C 133.792 0.2 3 1486 669 147 TYR CE1 C 118.185 0.2 3 1487 669 147 TYR N N 119.434 0.2 1 1488 670 148 ARG H H 8.867 0.025 1 1489 670 148 ARG HA H 3.518 0.025 1 1490 670 148 ARG HB2 H 2.008 0.025 2 1491 670 148 ARG HB3 H 1.856 0.025 2 1492 670 148 ARG HD2 H 3.046 0.025 2 1493 670 148 ARG HD3 H 3.004 0.025 2 1494 670 148 ARG HG2 H 1.075 0.025 2 1495 670 148 ARG HG3 H 0.821 0.025 2 1496 670 148 ARG CA C 58.226 0.2 1 1497 670 148 ARG CB C 27.562 0.2 1 1498 670 148 ARG CD C 43.400 0.2 1 1499 670 148 ARG CG C 27.778 0.2 1 1500 670 148 ARG N N 125.170 0.2 1 1501 671 149 ASP H H 8.905 0.025 1 1502 671 149 ASP HA H 4.575 0.025 1 1503 671 149 ASP HB2 H 2.725 0.025 2 1504 671 149 ASP HB3 H 2.582 0.025 2 1505 671 149 ASP CA C 54.333 0.2 1 1506 671 149 ASP CB C 39.230 0.2 1 1507 671 149 ASP N N 120.294 0.2 1 1508 672 150 TRP H H 8.810 0.025 1 1509 672 150 TRP HA H 4.463 0.025 1 1510 672 150 TRP HB2 H 3.506 0.025 2 1511 672 150 TRP HB3 H 2.871 0.025 2 1512 672 150 TRP HD1 H 7.417 0.025 1 1513 672 150 TRP HE1 H 10.257 0.025 1 1514 672 150 TRP HE3 H 6.797 0.025 1 1515 672 150 TRP HH2 H 6.742 0.025 1 1516 672 150 TRP HZ2 H 7.263 0.025 1 1517 672 150 TRP HZ3 H 6.587 0.025 1 1518 672 150 TRP CA C 56.672 0.2 1 1519 672 150 TRP CB C 30.450 0.2 1 1520 672 150 TRP CD1 C 127.605 0.2 1 1521 672 150 TRP CE3 C 120.912 0.2 1 1522 672 150 TRP CH2 C 123.573 0.2 1 1523 672 150 TRP CZ2 C 114.380 0.2 1 1524 672 150 TRP CZ3 C 122.021 0.2 1 1525 672 150 TRP N N 121.579 0.2 1 1526 672 150 TRP NE1 N 131.638 0.2 1 1527 673 151 SER H H 8.943 0.025 1 1528 673 151 SER HA H 4.525 0.025 1 1529 673 151 SER HB2 H 3.810 0.025 2 1530 673 151 SER HB3 H 3.724 0.025 2 1531 673 151 SER CA C 58.191 0.2 1 1532 673 151 SER CB C 64.886 0.2 1 1533 673 151 SER N N 117.890 0.2 1 1534 674 152 TYR H H 7.894 0.025 1 1535 674 152 TYR HA H 4.998 0.025 1 1536 674 152 TYR HB2 H 2.358 0.025 2 1537 674 152 TYR HB3 H 2.554 0.025 2 1538 674 152 TYR HD1 H 6.991 0.025 3 1539 674 152 TYR HD2 H 6.991 0.025 3 1540 674 152 TYR HE1 H 6.842 0.025 3 1541 674 152 TYR HE2 H 6.842 0.025 3 1542 674 152 TYR CA C 57.611 0.2 1 1543 674 152 TYR CB C 39.037 0.2 1 1544 674 152 TYR CD1 C 134.146 0.2 3 1545 674 152 TYR CE1 C 117.696 0.2 3 1546 674 152 TYR N N 124.733 0.2 1 1547 675 153 SER H H 6.591 0.025 1 1548 675 153 SER HA H 4.599 0.025 1 1549 675 153 SER HB2 H 3.392 0.025 2 1550 675 153 SER HB3 H 3.166 0.025 2 1551 675 153 SER CA C 56.561 0.2 1 1552 675 153 SER CB C 62.384 0.2 1 1553 675 153 SER N N 120.616 0.2 1 1554 676 154 GLY H H 8.349 0.025 1 1555 676 154 GLY HA2 H 3.275 0.025 2 1556 676 154 GLY HA3 H 4.055 0.025 2 1557 676 154 GLY CA C 45.713 0.2 1 1558 676 154 GLY N N 106.483 0.2 1 1559 677 155 GLN H H 7.349 0.025 1 1560 677 155 GLN HA H 4.097 0.025 1 1561 677 155 GLN HB2 H 1.718 0.025 2 1562 677 155 GLN HB3 H 1.798 0.025 2 1563 677 155 GLN HE21 H 7.401 0.025 2 1564 677 155 GLN HE22 H 6.809 0.025 2 1565 677 155 GLN HG2 H 2.157 0.025 2 1566 677 155 GLN HG3 H 2.157 0.025 2 1567 677 155 GLN CA C 55.952 0.2 1 1568 677 155 GLN CB C 29.288 0.2 1 1569 677 155 GLN CG C 33.576 0.2 1 1570 677 155 GLN N N 119.837 0.2 1 1571 677 155 GLN NE2 N 112.877 0.2 1 1572 678 156 ARG H H 8.870 0.025 1 1573 678 156 ARG HA H 4.308 0.025 1 1574 678 156 ARG HB2 H 1.775 0.025 2 1575 678 156 ARG HB3 H 1.775 0.025 2 1576 678 156 ARG HD2 H 3.158 0.025 2 1577 678 156 ARG HD3 H 3.092 0.025 2 1578 678 156 ARG HE H 7.530 0.025 1 1579 678 156 ARG HG2 H 1.497 0.025 2 1580 678 156 ARG HG3 H 1.641 0.025 2 1581 678 156 ARG CA C 57.624 0.2 1 1582 678 156 ARG CB C 30.730 0.2 1 1583 678 156 ARG CD C 43.681 0.2 1 1584 678 156 ARG CG C 28.602 0.2 1 1585 678 156 ARG N N 126.799 0.2 1 1586 678 156 ARG NE N 85.489 0.2 1 1587 679 157 THR H H 8.196 0.025 1 1588 679 157 THR HA H 4.941 0.025 1 1589 679 157 THR HB H 4.550 0.025 1 1590 679 157 THR HG2 H 1.252 0.025 1 1591 679 157 THR CA C 60.313 0.2 1 1592 679 157 THR CB C 73.275 0.2 1 1593 679 157 THR CG2 C 21.831 0.2 1 1594 679 157 THR N N 116.800 0.2 1 1595 680 158 GLU H H 9.206 0.025 1 1596 680 158 GLU HA H 4.088 0.025 1 1597 680 158 GLU HB2 H 2.009 0.025 2 1598 680 158 GLU HB3 H 1.970 0.025 2 1599 680 158 GLU HG2 H 2.229 0.025 2 1600 680 158 GLU HG3 H 2.268 0.025 2 1601 680 158 GLU CA C 58.832 0.2 1 1602 680 158 GLU CB C 29.220 0.2 1 1603 680 158 GLU CG C 36.576 0.2 1 1604 680 158 GLU N N 119.947 0.2 1 1605 681 159 LEU H H 7.793 0.025 1 1606 681 159 LEU HA H 4.109 0.025 1 1607 681 159 LEU HB2 H 0.953 0.025 2 1608 681 159 LEU HB3 H 0.760 0.025 2 1609 681 159 LEU HD1 H 0.610 0.025 2 1610 681 159 LEU HD2 H 0.686 0.025 2 1611 681 159 LEU HG H 1.335 0.025 1 1612 681 159 LEU CA C 54.734 0.2 1 1613 681 159 LEU CB C 42.128 0.2 1 1614 681 159 LEU CD1 C 22.973 0.2 2 1615 681 159 LEU CD2 C 25.235 0.2 2 1616 681 159 LEU CG C 27.376 0.2 1 1617 681 159 LEU N N 117.813 0.2 1 1618 682 160 GLY H H 7.264 0.025 1 1619 682 160 GLY HA2 H 3.612 0.025 2 1620 682 160 GLY HA3 H 4.313 0.025 2 1621 682 160 GLY CA C 43.694 0.2 1 1622 682 160 GLY N N 105.825 0.2 1 1623 683 161 VAL H H 8.851 0.025 1 1624 683 161 VAL HA H 4.106 0.025 1 1625 683 161 VAL HB H 1.778 0.025 1 1626 683 161 VAL HG1 H 0.406 0.025 2 1627 683 161 VAL HG2 H 0.637 0.025 2 1628 683 161 VAL CA C 62.474 0.2 1 1629 683 161 VAL CB C 30.800 0.2 1 1630 683 161 VAL CG1 C 21.026 0.2 2 1631 683 161 VAL CG2 C 22.817 0.2 2 1632 683 161 VAL N N 122.925 0.2 1 1633 684 162 GLU H H 9.070 0.025 1 1634 684 162 GLU HA H 3.425 0.025 1 1635 684 162 GLU HB2 H 2.087 0.025 2 1636 684 162 GLU HB3 H 1.463 0.025 2 1637 684 162 GLU HG2 H 2.388 0.025 2 1638 684 162 GLU HG3 H 1.873 0.025 2 1639 684 162 GLU CA C 57.065 0.2 1 1640 684 162 GLU CB C 30.557 0.2 1 1641 684 162 GLU CG C 36.163 0.2 1 1642 684 162 GLU N N 126.973 0.2 1 1643 685 163 PHE H H 9.333 0.025 1 1644 685 163 PHE HA H 5.049 0.025 1 1645 685 163 PHE HB2 H 3.326 0.025 2 1646 685 163 PHE HB3 H 3.192 0.025 2 1647 685 163 PHE HD1 H 7.335 0.025 3 1648 685 163 PHE HD2 H 7.335 0.025 3 1649 685 163 PHE HZ H 6.653 0.025 1 1650 685 163 PHE CA C 56.430 0.2 1 1651 685 163 PHE CB C 40.268 0.2 1 1652 685 163 PHE CD1 C 132.143 0.2 3 1653 685 163 PHE CZ C 129.680 0.2 1 1654 685 163 PHE N N 130.233 0.2 1 1655 686 164 LEU H H 7.440 0.025 1 1656 686 164 LEU HA H 5.104 0.025 1 1657 686 164 LEU HB2 H 1.379 0.025 2 1658 686 164 LEU HB3 H 0.953 0.025 2 1659 686 164 LEU HD1 H -0.149 0.025 2 1660 686 164 LEU HD2 H 0.310 0.025 2 1661 686 164 LEU HG H 0.065 0.025 1 1662 686 164 LEU CA C 52.058 0.2 1 1663 686 164 LEU CB C 48.251 0.2 1 1664 686 164 LEU CD1 C 25.648 0.2 2 1665 686 164 LEU CD2 C 22.555 0.2 2 1666 686 164 LEU CG C 27.627 0.2 1 1667 686 164 LEU N N 115.691 0.2 1 1668 687 165 LYS H H 9.072 0.025 1 1669 687 165 LYS HA H 5.393 0.025 1 1670 687 165 LYS HB2 H 1.714 0.025 2 1671 687 165 LYS HB3 H 1.464 0.025 2 1672 687 165 LYS HD2 H 1.498 0.025 2 1673 687 165 LYS HD3 H 1.469 0.025 2 1674 687 165 LYS HE2 H 2.766 0.025 2 1675 687 165 LYS HE3 H 2.684 0.025 2 1676 687 165 LYS HG2 H 1.185 0.025 2 1677 687 165 LYS HG3 H 1.185 0.025 2 1678 687 165 LYS CA C 54.983 0.2 1 1679 687 165 LYS CB C 36.698 0.2 1 1680 687 165 LYS CD C 29.704 0.2 1 1681 687 165 LYS CE C 41.953 0.2 1 1682 687 165 LYS CG C 25.019 0.2 1 1683 687 165 LYS N N 119.323 0.2 1 1684 688 166 ARG H H 7.878 0.025 1 1685 688 166 ARG HA H 3.938 0.025 1 1686 688 166 ARG HB2 H 0.298 0.025 2 1687 688 166 ARG HB3 H -0.431 0.025 2 1688 688 166 ARG HD2 H 2.270 0.025 2 1689 688 166 ARG HD3 H 1.627 0.025 2 1690 688 166 ARG HG2 H 0.640 0.025 2 1691 688 166 ARG HG3 H 1.070 0.025 2 1692 688 166 ARG CA C 56.865 0.2 1 1693 688 166 ARG CB C 30.632 0.2 1 1694 688 166 ARG CD C 42.934 0.2 1 1695 688 166 ARG CG C 25.960 0.2 1 1696 688 166 ARG N N 124.271 0.2 1 1697 689 167 GLY H H 9.089 0.025 1 1698 689 167 GLY HA2 H 3.547 0.025 2 1699 689 167 GLY HA3 H 3.762 0.025 2 1700 689 167 GLY CA C 47.468 0.2 1 1701 689 167 GLY N N 120.419 0.2 1 1702 690 168 ASP H H 8.724 0.025 1 1703 690 168 ASP HA H 4.580 0.025 1 1704 690 168 ASP HB2 H 2.671 0.025 2 1705 690 168 ASP HB3 H 2.704 0.025 2 1706 690 168 ASP CA C 53.824 0.2 1 1707 690 168 ASP CB C 40.754 0.2 1 1708 690 168 ASP N N 126.675 0.2 1 1709 691 169 LYS H H 7.989 0.025 1 1710 691 169 LYS HA H 4.764 0.025 1 1711 691 169 LYS HB2 H 2.163 0.025 2 1712 691 169 LYS HB3 H 1.742 0.025 2 1713 691 169 LYS HD2 H 1.773 0.025 2 1714 691 169 LYS HD3 H 1.737 0.025 2 1715 691 169 LYS HE2 H 3.074 0.025 2 1716 691 169 LYS HE3 H 2.986 0.025 2 1717 691 169 LYS HG2 H 1.562 0.025 2 1718 691 169 LYS HG3 H 1.614 0.025 2 1719 691 169 LYS CA C 54.787 0.2 1 1720 691 169 LYS CB C 34.508 0.2 1 1721 691 169 LYS CD C 28.886 0.2 1 1722 691 169 LYS CE C 42.310 0.2 1 1723 691 169 LYS CG C 24.588 0.2 1 1724 691 169 LYS N N 119.695 0.2 1 1725 692 170 ILE H H 8.255 0.025 1 1726 692 170 ILE HA H 4.719 0.025 1 1727 692 170 ILE HB H 1.483 0.025 1 1728 692 170 ILE HD1 H 0.728 0.025 1 1729 692 170 ILE HG12 H 1.407 0.025 2 1730 692 170 ILE HG13 H 0.595 0.025 2 1731 692 170 ILE HG2 H -0.040 0.025 1 1732 692 170 ILE CA C 60.692 0.2 1 1733 692 170 ILE CB C 42.319 0.2 1 1734 692 170 ILE CD1 C 14.067 0.2 1 1735 692 170 ILE CG1 C 27.756 0.2 1 1736 692 170 ILE CG2 C 16.470 0.2 1 1737 692 170 ILE N N 121.662 0.2 1 1738 693 171 VAL H H 9.214 0.025 1 1739 693 171 VAL HA H 4.641 0.025 1 1740 693 171 VAL HB H 1.887 0.025 1 1741 693 171 VAL HG1 H 1.107 0.025 2 1742 693 171 VAL HG2 H 0.662 0.025 2 1743 693 171 VAL CA C 60.839 0.2 1 1744 693 171 VAL CB C 33.952 0.2 1 1745 693 171 VAL CG1 C 22.547 0.2 2 1746 693 171 VAL CG2 C 22.172 0.2 2 1747 693 171 VAL N N 125.250 0.2 1 1748 694 172 TYR H H 9.485 0.025 1 1749 694 172 TYR HA H 5.401 0.025 1 1750 694 172 TYR HB2 H 2.515 0.025 2 1751 694 172 TYR HB3 H 2.041 0.025 2 1752 694 172 TYR HD1 H 6.591 0.025 3 1753 694 172 TYR HD2 H 6.591 0.025 3 1754 694 172 TYR HE1 H 6.681 0.025 3 1755 694 172 TYR HE2 H 6.681 0.025 3 1756 694 172 TYR CA C 57.754 0.2 1 1757 694 172 TYR CB C 41.937 0.2 1 1758 694 172 TYR CD1 C 133.219 0.2 3 1759 694 172 TYR CE1 C 118.234 0.2 3 1760 694 172 TYR N N 128.080 0.2 1 1761 695 173 HIS H H 9.273 0.025 1 1762 695 173 HIS HA H 6.048 0.025 1 1763 695 173 HIS HB2 H 2.806 0.025 2 1764 695 173 HIS HB3 H 2.514 0.025 2 1765 695 173 HIS HD2 H 6.130 0.025 1 1766 695 173 HIS HE1 H 7.573 0.025 1 1767 695 173 HIS CA C 53.800 0.2 1 1768 695 173 HIS CB C 33.601 0.2 1 1769 695 173 HIS CD2 C 127.676 0.2 1 1770 695 173 HIS CE1 C 139.770 0.2 1 1771 695 173 HIS N N 115.648 0.2 1 1772 696 174 THR H H 8.278 0.025 1 1773 696 174 THR HA H 4.470 0.025 1 1774 696 174 THR HB H 4.669 0.025 1 1775 696 174 THR HG2 H 1.253 0.025 1 1776 696 174 THR CA C 61.608 0.2 1 1777 696 174 THR CB C 70.397 0.2 1 1778 696 174 THR CG2 C 23.810 0.2 1 1779 696 174 THR N N 110.771 0.2 1 1780 697 175 LEU H H 8.711 0.025 1 1781 697 175 LEU HA H 4.207 0.025 1 1782 697 175 LEU HB2 H 1.584 0.025 2 1783 697 175 LEU HD1 H 0.838 0.025 2 1784 697 175 LEU HD2 H 0.804 0.025 2 1785 697 175 LEU HG H 1.509 0.025 1 1786 697 175 LEU CA C 56.525 0.2 1 1787 697 175 LEU CB C 42.944 0.2 1 1788 697 175 LEU CD1 C 25.151 0.2 2 1789 697 175 LEU CD2 C 24.151 0.2 2 1790 697 175 LEU CG C 27.946 0.2 1 1791 697 175 LEU N N 120.405 0.2 1 1792 698 176 GLU H H 7.613 0.025 1 1793 698 176 GLU HA H 4.373 0.025 1 1794 698 176 GLU HB2 H 1.977 0.025 2 1795 698 176 GLU HB3 H 1.793 0.025 2 1796 698 176 GLU HG2 H 2.140 0.025 2 1797 698 176 GLU HG3 H 2.140 0.025 2 1798 698 176 GLU CA C 54.892 0.2 1 1799 698 176 GLU CB C 31.395 0.2 1 1800 698 176 GLU CG C 36.315 0.2 1 1801 698 176 GLU N N 116.665 0.2 1 1802 699 177 SER H H 8.162 0.025 1 1803 699 177 SER HA H 4.374 0.025 1 1804 699 177 SER HB2 H 3.634 0.025 2 1805 699 177 SER HB3 H 3.708 0.025 2 1806 699 177 SER CA C 56.293 0.2 1 1807 699 177 SER CB C 63.534 0.2 1 1808 699 177 SER N N 115.602 0.2 1 1809 700 178 PRO HA H 4.580 0.025 1 1810 700 178 PRO HB2 H 1.964 0.025 2 1811 700 178 PRO HB3 H 2.228 0.025 2 1812 700 178 PRO HD2 H 3.469 0.025 2 1813 700 178 PRO HD3 H 3.425 0.025 2 1814 700 178 PRO HG2 H 1.876 0.025 2 1815 700 178 PRO HG3 H 1.770 0.025 2 1816 700 178 PRO CA C 62.030 0.2 1 1817 700 178 PRO CB C 33.940 0.2 1 1818 700 178 PRO CD C 50.656 0.2 1 1819 700 178 PRO CG C 25.300 0.2 1 1820 701 179 VAL H H 7.753 0.025 1 1821 701 179 VAL HA H 3.482 0.025 1 1822 701 179 VAL HB H 1.537 0.025 1 1823 701 179 VAL HG1 H 0.587 0.025 2 1824 701 179 VAL HG2 H 0.188 0.025 2 1825 701 179 VAL CA C 63.647 0.2 1 1826 701 179 VAL CB C 31.942 0.2 1 1827 701 179 VAL CG1 C 22.258 0.2 2 1828 701 179 VAL CG2 C 21.219 0.2 2 1829 701 179 VAL N N 124.396 0.2 1 1830 702 180 GLU H H 7.750 0.025 1 1831 702 180 GLU HA H 4.354 0.025 1 1832 702 180 GLU HB2 H 1.868 0.025 2 1833 702 180 GLU HB3 H 1.782 0.025 2 1834 702 180 GLU HG2 H 1.993 0.025 2 1835 702 180 GLU HG3 H 2.094 0.025 2 1836 702 180 GLU CA C 53.692 0.2 1 1837 702 180 GLU CB C 33.886 0.2 1 1838 702 180 GLU CG C 36.779 0.2 1 1839 702 180 GLU N N 124.331 0.2 1 1840 703 181 PHE H H 8.046 0.025 1 1841 703 181 PHE HA H 5.736 0.025 1 1842 703 181 PHE HB2 H 3.213 0.025 2 1843 703 181 PHE HB3 H 2.896 0.025 2 1844 703 181 PHE HD1 H 7.080 0.025 3 1845 703 181 PHE HD2 H 7.080 0.025 3 1846 703 181 PHE HE1 H 6.619 0.025 3 1847 703 181 PHE HE2 H 6.619 0.025 3 1848 703 181 PHE HZ H 6.990 0.025 1 1849 703 181 PHE CA C 55.974 0.2 1 1850 703 181 PHE CB C 41.609 0.2 1 1851 703 181 PHE CD1 C 132.082 0.2 3 1852 703 181 PHE CE1 C 130.892 0.2 3 1853 703 181 PHE CZ C 128.482 0.2 1 1854 703 181 PHE N N 118.171 0.2 1 1855 704 182 HIS H H 8.998 0.025 1 1856 704 182 HIS HA H 5.734 0.025 1 1857 704 182 HIS HB2 H 2.788 0.025 2 1858 704 182 HIS HB3 H 3.018 0.025 2 1859 704 182 HIS HD2 H 6.636 0.025 1 1860 704 182 HIS HE1 H 7.457 0.025 1 1861 704 182 HIS CA C 54.329 0.2 1 1862 704 182 HIS CB C 34.493 0.2 1 1863 704 182 HIS CD2 C 117.373 0.2 1 1864 704 182 HIS CE1 C 138.436 0.2 1 1865 704 182 HIS N N 118.356 0.2 1 1866 705 183 LEU H H 8.572 0.025 1 1867 705 183 LEU HA H 5.017 0.025 1 1868 705 183 LEU HB2 H 1.811 0.025 2 1869 705 183 LEU HB3 H 1.366 0.025 2 1870 705 183 LEU HD1 H 0.949 0.025 2 1871 705 183 LEU HD2 H 0.809 0.025 2 1872 705 183 LEU HG H 1.506 0.025 1 1873 705 183 LEU CA C 54.642 0.2 1 1874 705 183 LEU CB C 46.022 0.2 1 1875 705 183 LEU CD1 C 23.458 0.2 2 1876 705 183 LEU CD2 C 26.516 0.2 2 1877 705 183 LEU CG C 28.125 0.2 1 1878 705 183 LEU N N 121.740 0.2 1 1879 706 184 ASP H H 10.306 0.025 1 1880 706 184 ASP HA H 4.405 0.025 1 1881 706 184 ASP HB2 H 3.004 0.025 2 1882 706 184 ASP HB3 H 2.721 0.025 2 1883 706 184 ASP CA C 55.703 0.2 1 1884 706 184 ASP CB C 39.538 0.2 1 1885 706 184 ASP N N 129.971 0.2 1 1886 707 185 GLY H H 9.197 0.025 1 1887 707 185 GLY HA2 H 3.537 0.025 2 1888 707 185 GLY HA3 H 4.105 0.025 2 1889 707 185 GLY CA C 45.556 0.2 1 1890 707 185 GLY N N 104.466 0.2 1 1891 708 186 GLU H H 7.855 0.025 1 1892 708 186 GLU HA H 4.527 0.025 1 1893 708 186 GLU HB2 H 2.037 0.025 2 1894 708 186 GLU HB3 H 1.876 0.025 2 1895 708 186 GLU HG2 H 2.117 0.025 2 1896 708 186 GLU HG3 H 2.265 0.025 2 1897 708 186 GLU CA C 54.677 0.2 1 1898 708 186 GLU CB C 32.118 0.2 1 1899 708 186 GLU CG C 36.256 0.2 1 1900 708 186 GLU N N 121.744 0.2 1 1901 709 187 VAL H H 8.426 0.025 1 1902 709 187 VAL HA H 4.508 0.025 1 1903 709 187 VAL HB H 1.870 0.025 1 1904 709 187 VAL HG1 H 0.890 0.025 2 1905 709 187 VAL HG2 H 0.782 0.025 2 1906 709 187 VAL CA C 62.467 0.2 1 1907 709 187 VAL CB C 32.115 0.2 1 1908 709 187 VAL CG1 C 21.406 0.2 2 1909 709 187 VAL CG2 C 21.910 0.2 2 1910 709 187 VAL N N 124.601 0.2 1 1911 710 188 LEU H H 8.652 0.025 1 1912 710 188 LEU HA H 4.777 0.025 1 1913 710 188 LEU HB2 H 1.538 0.025 2 1914 710 188 LEU HB3 H 1.361 0.025 2 1915 710 188 LEU HD1 H 0.741 0.025 2 1916 710 188 LEU HD2 H 0.741 0.025 2 1917 710 188 LEU HG H 1.665 0.025 1 1918 710 188 LEU CA C 53.438 0.2 1 1919 710 188 LEU CB C 45.942 0.2 1 1920 710 188 LEU CD1 C 24.421 0.2 2 1921 710 188 LEU CD2 C 24.507 0.2 2 1922 710 188 LEU CG C 27.000 0.2 1 1923 710 188 LEU N N 128.708 0.2 1 1924 711 189 SER H H 8.075 0.025 1 1925 711 189 SER HA H 4.493 0.025 1 1926 711 189 SER HB2 H 4.016 0.025 2 1927 711 189 SER HB3 H 4.335 0.025 2 1928 711 189 SER CA C 57.053 0.2 1 1929 711 189 SER CB C 64.816 0.2 1 1930 711 189 SER N N 118.121 0.2 1 1931 712 190 LEU H H 9.473 0.025 1 1932 712 190 LEU HA H 3.773 0.025 1 1933 712 190 LEU HB2 H 1.849 0.025 2 1934 712 190 LEU HB3 H 1.424 0.025 2 1935 712 190 LEU HD1 H 0.597 0.025 2 1936 712 190 LEU HD2 H 0.015 0.025 2 1937 712 190 LEU HG H 1.134 0.025 1 1938 712 190 LEU CA C 58.371 0.2 1 1939 712 190 LEU CB C 41.642 0.2 1 1940 712 190 LEU CD1 C 26.445 0.2 2 1941 712 190 LEU CD2 C 23.404 0.2 2 1942 712 190 LEU CG C 26.858 0.2 1 1943 712 190 LEU N N 122.262 0.2 1 1944 713 191 ASP H H 8.344 0.025 1 1945 713 191 ASP HA H 4.088 0.025 1 1946 713 191 ASP HB2 H 2.468 0.025 2 1947 713 191 ASP HB3 H 2.410 0.025 2 1948 713 191 ASP CA C 57.502 0.2 1 1949 713 191 ASP CB C 40.610 0.2 1 1950 713 191 ASP N N 115.714 0.2 1 1951 714 192 LYS H H 7.611 0.025 1 1952 714 192 LYS HA H 3.976 0.025 1 1953 714 192 LYS HB2 H 1.787 0.025 2 1954 714 192 LYS HB3 H 1.787 0.025 2 1955 714 192 LYS HD2 H 1.679 0.025 2 1956 714 192 LYS HD3 H 1.679 0.025 2 1957 714 192 LYS HE2 H 2.884 0.025 2 1958 714 192 LYS HE3 H 2.884 0.025 2 1959 714 192 LYS HG2 H 1.374 0.025 2 1960 714 192 LYS HG3 H 1.374 0.025 2 1961 714 192 LYS CA C 58.775 0.2 1 1962 714 192 LYS CB C 32.401 0.2 1 1963 714 192 LYS CD C 29.334 0.2 1 1964 714 192 LYS CE C 42.333 0.2 1 1965 714 192 LYS CG C 25.973 0.2 1 1966 714 192 LYS N N 121.301 0.2 1 1967 715 193 LEU H H 8.752 0.025 1 1968 715 193 LEU HA H 3.712 0.025 1 1969 715 193 LEU HB2 H 1.021 0.025 2 1970 715 193 LEU HB3 H 1.646 0.025 2 1971 715 193 LEU HD1 H -0.057 0.025 2 1972 715 193 LEU HD2 H 0.464 0.025 2 1973 715 193 LEU HG H 0.913 0.025 1 1974 715 193 LEU CA C 58.308 0.2 1 1975 715 193 LEU CB C 40.912 0.2 1 1976 715 193 LEU CD1 C 25.609 0.2 2 1977 715 193 LEU CD2 C 24.746 0.2 2 1978 715 193 LEU CG C 26.754 0.2 1 1979 715 193 LEU N N 121.413 0.2 1 1980 716 194 LYS H H 8.247 0.025 1 1981 716 194 LYS HA H 3.372 0.025 1 1982 716 194 LYS HB2 H 1.640 0.025 2 1983 716 194 LYS HB3 H 1.640 0.025 2 1984 716 194 LYS HD2 H 1.246 0.025 2 1985 716 194 LYS HD3 H 1.288 0.025 2 1986 716 194 LYS HE2 H 2.253 0.025 2 1987 716 194 LYS HE3 H 2.496 0.025 2 1988 716 194 LYS HG2 H 1.058 0.025 2 1989 716 194 LYS HG3 H 0.700 0.025 2 1990 716 194 LYS CA C 60.959 0.2 1 1991 716 194 LYS CB C 32.060 0.2 1 1992 716 194 LYS CD C 29.705 0.2 1 1993 716 194 LYS CE C 41.831 0.2 1 1994 716 194 LYS CG C 26.556 0.2 1 1995 716 194 LYS N N 115.637 0.2 1 1996 717 195 SER H H 7.361 0.025 1 1997 717 195 SER HA H 4.187 0.025 1 1998 717 195 SER HB2 H 3.901 0.025 2 1999 717 195 SER HB3 H 3.901 0.025 2 2000 717 195 SER CA C 61.431 0.2 1 2001 717 195 SER CB C 62.942 0.2 1 2002 717 195 SER N N 113.452 0.2 1 2003 718 196 LEU H H 7.803 0.025 1 2004 718 196 LEU HA H 4.210 0.025 1 2005 718 196 LEU HB2 H 1.488 0.025 2 2006 718 196 LEU HB3 H 1.650 0.025 2 2007 718 196 LEU HD1 H 0.778 0.025 2 2008 718 196 LEU HD2 H 0.728 0.025 2 2009 718 196 LEU HG H 1.652 0.025 1 2010 718 196 LEU CA C 56.951 0.2 1 2011 718 196 LEU CB C 42.238 0.2 1 2012 718 196 LEU CD1 C 25.980 0.2 2 2013 718 196 LEU CD2 C 24.361 0.2 2 2014 718 196 LEU CG C 26.947 0.2 1 2015 718 196 LEU N N 123.194 0.2 1 2016 719 197 LEU H H 7.536 0.025 1 2017 719 197 LEU HA H 4.106 0.025 1 2018 719 197 LEU HB2 H 1.367 0.025 2 2019 719 197 LEU HB3 H 1.480 0.025 2 2020 719 197 LEU HD1 H -0.782 0.025 2 2021 719 197 LEU HD2 H -0.011 0.025 2 2022 719 197 LEU HG H 1.293 0.025 1 2023 719 197 LEU CA C 55.438 0.2 1 2024 719 197 LEU CB C 42.216 0.2 1 2025 719 197 LEU CD1 C 20.656 0.2 2 2026 719 197 LEU CD2 C 25.790 0.2 2 2027 719 197 LEU CG C 25.757 0.2 1 2028 719 197 LEU N N 118.301 0.2 1 2029 720 198 SER H H 7.198 0.025 1 2030 720 198 SER HA H 4.129 0.025 1 2031 720 198 SER HB2 H 3.910 0.025 2 2032 720 198 SER HB3 H 3.910 0.025 2 2033 720 198 SER CA C 61.076 0.2 1 2034 720 198 SER CB C 64.855 0.2 1 2035 720 198 SER N N 118.401 0.2 1 stop_ save_