data_15740 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure ensemble Backbone and side-chain 1H, 13C, and 15N Chemical Shift Assignments, 1H-15N RDCs and 1H-1H nOe restraints for protein K7 from the Vaccinia virus ; _BMRB_accession_number 15740 _BMRB_flat_file_name bmr15740.str _Entry_type original _Submission_date 2008-04-22 _Accession_date 2008-04-22 _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 Kalverda Arnout P. . 2 Thompson Gary S. . 3 Vogel Andre . . 4 'Schr der' Martina . . 5 Bowie Andrew G. . 6 Khan Amir R. . 7 Homans Steve W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 residual_dipolar_couplings 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 771 "13C chemical shifts" 612 "15N chemical shifts" 145 "residual dipolar couplings" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-02-23 update BMRB 'complete entry citation' 2008-11-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Poxvirus K7 protein adopts a Bcl-2 fold: Biochemical mapping of its interactions with human DEAD box RNA helicase DDX3' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18845156 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kalverda Arnout P. . 2 Thompson Gary S. . 3 Vogel Andre . . 4 Schroeder Martina . . 5 Bowie Andrew G. . 6 Khan Amir R. . 7 Homans Steve W. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 385 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 843 _Page_last 853 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'protein K7 from the Vaccinia virus' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label K7 $K7 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_K7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common K7 _Molecular_mass 17489.023 _Mol_thiol_state 'all free' loop_ _Biological_function 'immune evasion' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; GAMEDAVFYFVDDDKICSRD SIIDLIDEYITWRNHVIVFN KDITSCGRLYKELMKFDDVA IRYYGIDKINEIVEAMSEGD HYINFTKVHDQESLFATIGI CAKITEHWGYKKISESRFQS LGNITDLMTDDNINILILFL EKKLN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 5 GLY 2 6 ALA 3 7 MET 4 8 GLU 5 9 ASP 6 10 ALA 7 11 VAL 8 12 PHE 9 13 TYR 10 14 PHE 11 15 VAL 12 16 ASP 13 17 ASP 14 18 ASP 15 19 LYS 16 20 ILE 17 21 CYS 18 22 SER 19 23 ARG 20 24 ASP 21 25 SER 22 26 ILE 23 27 ILE 24 28 ASP 25 29 LEU 26 30 ILE 27 31 ASP 28 32 GLU 29 33 TYR 30 34 ILE 31 35 THR 32 36 TRP 33 37 ARG 34 38 ASN 35 39 HIS 36 40 VAL 37 41 ILE 38 42 VAL 39 43 PHE 40 44 ASN 41 45 LYS 42 46 ASP 43 47 ILE 44 48 THR 45 49 SER 46 50 CYS 47 51 GLY 48 52 ARG 49 53 LEU 50 54 TYR 51 55 LYS 52 56 GLU 53 57 LEU 54 58 MET 55 59 LYS 56 60 PHE 57 61 ASP 58 62 ASP 59 63 VAL 60 64 ALA 61 65 ILE 62 66 ARG 63 67 TYR 64 68 TYR 65 69 GLY 66 70 ILE 67 71 ASP 68 72 LYS 69 73 ILE 70 74 ASN 71 75 GLU 72 76 ILE 73 77 VAL 74 78 GLU 75 79 ALA 76 80 MET 77 81 SER 78 82 GLU 79 83 GLY 80 84 ASP 81 85 HIS 82 86 TYR 83 87 ILE 84 88 ASN 85 89 PHE 86 90 THR 87 91 LYS 88 92 VAL 89 93 HIS 90 94 ASP 91 95 GLN 92 96 GLU 93 97 SER 94 98 LEU 95 99 PHE 96 100 ALA 97 101 THR 98 102 ILE 99 103 GLY 100 104 ILE 101 105 CYS 102 106 ALA 103 107 LYS 104 108 ILE 105 109 THR 106 110 GLU 107 111 HIS 108 112 TRP 109 113 GLY 110 114 TYR 111 115 LYS 112 116 LYS 113 117 ILE 114 118 SER 115 119 GLU 116 120 SER 117 121 ARG 118 122 PHE 119 123 GLN 120 124 SER 121 125 LEU 122 126 GLY 123 127 ASN 124 128 ILE 125 129 THR 126 130 ASP 127 131 LEU 128 132 MET 129 133 THR 130 134 ASP 131 135 ASP 132 136 ASN 133 137 ILE 134 138 ASN 135 139 ILE 136 140 LEU 137 141 ILE 138 142 LEU 139 143 PHE 140 144 LEU 141 145 GLU 142 146 LYS 143 147 LYS 144 148 LEU 145 149 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 PDB 2K36 "Structure Ensemble Backbone And Side-Chain 1h, 13c, And 15n Chemical Shift Assignments, 1h-15n Rdcs And 1h-1h Noe Restraints Fo" 97.93 149 100.00 100.00 1.31e-96 PDB 3JRV "Structure Of Poxvirus K7 Protein In Complex With Rna Helicase Ddx3" 97.93 149 97.89 97.89 1.39e-93 DBJ BAA00293 "ORF K7 [Vaccinia virus]" 97.93 149 100.00 100.00 1.31e-96 EMBL CAA48965 "C4R [Variola virus]" 97.93 149 97.18 98.59 3.52e-94 EMBL CAA64114 "M6R protein [Cowpox virus]" 97.93 161 97.18 98.59 4.46e-94 EMBL CAB54624 "P4R protein [Variola minor virus]" 97.93 149 97.18 98.59 3.52e-94 EMBL CAM58208 "17.5k hypothetical protein [Vaccinia virus Ankara]" 97.93 149 100.00 100.00 1.31e-96 EMBL CRL86498 "CPXV046 protein [Cowpox virus]" 97.93 149 97.18 98.59 3.52e-94 GB AAA48013 "putative K7R [Vaccinia virus Copenhagen]" 97.93 149 100.00 100.00 1.31e-96 GB AAA60772 "homolog of vaccinia virus CDS K7R; putative [Variola major virus]" 97.93 149 97.18 98.59 3.52e-94 GB AAB96484 "putative 17.5k protein [Vaccinia virus]" 97.93 149 100.00 100.00 1.31e-96 GB AAF33890 "TK8R [Vaccinia virus Tian Tan]" 97.93 149 100.00 100.00 1.31e-96 GB AAO89318 "unknown [Vaccinia virus WR]" 97.93 149 100.00 100.00 1.31e-96 PRF 2015436AB "C4R gene" 97.93 149 97.18 98.59 3.52e-94 REF NP_042068 "unchracterized protein [Variola virus]" 97.93 149 97.18 98.59 3.52e-94 REF YP_232921 "hypothetical protein VACWR039 [Vaccinia virus]" 97.93 149 100.00 100.00 1.31e-96 SP P68466 "RecName: Full=Protein K7" 97.93 149 100.00 100.00 1.31e-96 SP P68467 "RecName: Full=Protein K7" 97.93 149 100.00 100.00 1.31e-96 SP Q76ZX2 "RecName: Full=Protein K7" 97.93 149 100.00 100.00 1.31e-96 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $K7 'Vaccinia Virus' 10245 Viruses . Vaccinia Virus 'WR Western Reserve' K7R 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 _Details $K7 'recombinant technology' . Escherichia coli BL21(DE3) pET15 'the pET15 vector was modified to replace the thrombin cleavage site with an rTEV cleavage site' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_K7D8_UCN _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $K7 0.8 mM '[U-13C; U-15N]' 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 0.1 mM 'natural abundance' D2O 10 % . H2O 90 % 'natural abundance' stop_ save_ save_K7D8_UN _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $K7 0.8 mM [U-15N] 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 0.1 mM 'natural abundance' D2O 10 % . H2O 90 % 'natural abundance' stop_ save_ save_K7D8_UN_PF1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $K7 0.8 mM [U-15N] 'sodium phosphate' 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 0.1 mM 'natural abundance' 'Pf1 phage' 12 mg/ml 'natural abundance' D2O 10 % . H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1c loop_ _Vendor _Address _Electronic_address Varian ; Varian, Inc. Corporate Headquarters 3120 Hansen Way Palo Alto, CA 9 ; custserv@varianinc.com stop_ loop_ _Task 'nmr data collection' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version '2.5 Rev 2006.184.15.37' loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; Frank Delaglio NIH Laboratory of Chemical Physics, NIDDK, NIH Building 31. Rm 9A06 31 Center Drive, MSC 2560 Bethesda, MD 20892-2560 USA ; delaglio@nih.gov stop_ loop_ _Task 'determination of RDC Da & Dr parameters' processing stop_ _Details 'Nmrpipe used for data nmr processing DC module used to calculate RDC Da & Dr parameters' save_ save_ccpn_analysis _Saveframe_category software _Name ccpn_analysis _Version 1.0.9-1.0.15 loop_ _Vendor _Address _Electronic_address CCPN ; Sanger Building Department of Biochemistry University of Cambridge 80 Tennis Court Road Old Addenbrookes Site Cambridge CB2 1GA ; ccpn@mole.bio.cam.ac.uk stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.17 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' ; Marius Clore, John Kuszewski, & Charles D. Schwieters, NIH Laboratory of Chemical Physics, NIDDK, NIH ; xplor-nih@nmr.cit.nih.gov stop_ loop_ _Task 'structure solution' stop_ _Details 'PASD/MARVIN protcol' save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.17 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' ; Michael Nilges Institut Pasteur 25-28 rue du Dr Roux 75015 Paris FRANCE ; nilges@pasteur.fr stop_ loop_ _Task refinement stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.22 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' ; One Moon Scientific Inc EDC III 211 Warren St Newark, NJ 07103-3568 ; info@onemoonscientific.com stop_ loop_ _Task 'rdc data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details cryoprobe save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $K7D8_UN save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $K7D8_UCN save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $K7D8_UCN save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $K7D8_UCN save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $K7D8_UCN save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $K7D8_UCN save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $K7D8_UCN save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $K7D8_UN save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $K7D8_UCN save_ save_2D_1H-13C_constant_time_aromatic_selected_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C constant time aromatic selected HSQC' _Sample_label $K7D8_UCN save_ save_3D_H(C)CH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $K7D8_UCN save_ save_3D_(H)CCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $K7D8_UCN save_ save_2D_HB(CBCGCD)HD_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HB(CBCGCD)HD' _Sample_label $K7D8_UCN save_ save_2D_HB(CBCGCDCE)HE_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HB(CBCGCDCE)HE' _Sample_label $K7D8_UCN save_ save_3D_1H-13C_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $K7D8_UCN save_ save_2D_j_modulated_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D j modulated 1H-15N HSQC' _Sample_label $K7D8_UN save_ save_2D_1H-(13C)-1H_aromatic_optimised_13C_filtered_(HSQC)_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-(13C)-1H aromatic optimised 13C filtered (HSQC) NOESY' _Sample_label $K7D8_UCN save_ ####################### # Sample conditions # ####################### save_K7R_CONDITIONS_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 122.5 . mM pH 7.0 0.05 pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_K7D8_REF_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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_K7D8_SHIFT_LIST_1 _Saveframe_category assigned_chemical_shifts _Details ; standard deviations of estimated errors are 1H 0.012 15N 0.036 13C 0.05 ; loop_ _Software_label $ccpn_analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCO' '3D HNHA' '3D 1H-15N NOESY' '2D 1H-13C constant time aromatic selected HSQC' '3D H(C)CH-TOCSY' '3D (H)CCH-TOCSY' '2D HB(CBCGCD)HD' '2D HB(CBCGCDCE)HE' '3D 1H-13C NOESY' '2D 1H-(13C)-1H aromatic optimised 13C filtered (HSQC) NOESY' stop_ loop_ _Sample_label $K7D8_UN $K7D8_UCN stop_ _Sample_conditions_label $K7R_CONDITIONS_1 _Chem_shift_reference_set_label $K7D8_REF_1 _Mol_system_component_name K7 _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 6 2 ALA C C 178.150 0.0447 1 2 6 2 ALA CA C 52.860 0.0447 1 3 6 2 ALA CB C 19.498 0.0447 1 4 7 3 MET H H 8.597 0.0070 1 5 7 3 MET C C 176.691 0.0447 1 6 7 3 MET CA C 56.345 0.0447 1 7 7 3 MET CB C 32.799 0.0447 1 8 7 3 MET N N 119.862 0.0160 1 9 8 4 GLU H H 8.577 0.0070 1 10 8 4 GLU HA H 3.668 0.0080 1 11 8 4 GLU HB2 H 1.869 0.0150 1 12 8 4 GLU HB3 H 1.852 0.0230 1 13 8 4 GLU HG2 H 2.180 0.0050 1 14 8 4 GLU HG3 H 2.051 0.0050 1 15 8 4 GLU C C 176.292 0.0447 1 16 8 4 GLU CA C 57.913 0.0960 1 17 8 4 GLU CB C 29.539 0.0590 1 18 8 4 GLU CG C 36.195 0.0720 1 19 8 4 GLU N N 121.084 0.0250 1 20 9 5 ASP H H 8.012 0.0050 1 21 9 5 ASP HA H 4.527 0.0100 1 22 9 5 ASP HB2 H 2.597 0.0250 1 23 9 5 ASP HB3 H 2.578 0.0090 1 24 9 5 ASP C C 175.569 0.0447 1 25 9 5 ASP CA C 53.885 0.0980 1 26 9 5 ASP CB C 40.556 0.1070 1 27 9 5 ASP N N 118.922 0.0330 1 28 10 6 ALA H H 7.521 0.0050 1 29 10 6 ALA HA H 3.987 0.0070 1 30 10 6 ALA HB H 1.102 0.0030 1 31 10 6 ALA C C 175.823 0.0447 1 32 10 6 ALA CA C 52.498 0.0660 1 33 10 6 ALA CB C 19.609 0.0380 1 34 10 6 ALA N N 123.502 0.0390 1 35 11 7 VAL H H 7.678 0.0040 1 36 11 7 VAL HA H 3.733 0.0050 1 37 11 7 VAL HB H 1.523 0.0040 1 38 11 7 VAL HG1 H 0.663 0.0080 1 39 11 7 VAL HG2 H 0.269 0.0040 1 40 11 7 VAL C C 173.870 0.0447 1 41 11 7 VAL CA C 61.404 0.0820 1 42 11 7 VAL CB C 33.433 0.1570 1 43 11 7 VAL CG1 C 20.732 0.0870 1 44 11 7 VAL CG2 C 20.404 0.1040 1 45 11 7 VAL N N 120.853 0.0170 1 46 12 8 PHE H H 8.076 0.0020 1 47 12 8 PHE HA H 4.416 0.0020 1 48 12 8 PHE HB2 H 3.016 0.0150 1 49 12 8 PHE HB3 H 2.642 0.0020 1 50 12 8 PHE HD1 H 7.259 0.0130 3 51 12 8 PHE HD2 H 7.259 0.0130 3 52 12 8 PHE HE1 H 6.882 0.0180 3 53 12 8 PHE HE2 H 6.882 0.0180 3 54 12 8 PHE HZ H 6.672 0.0120 1 55 12 8 PHE C C 175.600 0.0447 1 56 12 8 PHE CA C 56.764 0.0020 1 57 12 8 PHE CB C 39.973 0.0780 1 58 12 8 PHE CD1 C 132.709 0.0447 3 59 12 8 PHE CD2 C 132.709 0.0447 3 60 12 8 PHE CE1 C 131.691 0.0447 3 61 12 8 PHE CE2 C 131.691 0.0447 3 62 12 8 PHE CZ C 132.598 0.0447 1 63 12 8 PHE N N 125.255 0.0260 1 64 13 9 TYR H H 10.825 0.0070 1 65 13 9 TYR HA H 3.978 0.0060 1 66 13 9 TYR HB2 H 2.301 0.0060 1 67 13 9 TYR HB3 H 2.132 0.0030 1 68 13 9 TYR C C 178.584 0.0447 1 69 13 9 TYR CA C 61.178 0.0800 1 70 13 9 TYR CB C 38.676 0.0670 1 71 13 9 TYR N N 125.540 0.0290 1 72 14 10 PHE H H 10.520 0.0050 1 73 14 10 PHE HA H 4.830 0.0060 1 74 14 10 PHE HB2 H 3.396 0.0090 1 75 14 10 PHE HB3 H 3.072 0.1540 1 76 14 10 PHE HD1 H 7.463 0.0070 3 77 14 10 PHE HD2 H 7.463 0.0070 3 78 14 10 PHE HE1 H 7.288 0.0110 3 79 14 10 PHE HE2 H 7.288 0.0110 3 80 14 10 PHE HZ H 7.298 0.0070 1 81 14 10 PHE C C 176.440 0.0447 1 82 14 10 PHE CA C 57.728 0.0220 1 83 14 10 PHE CB C 40.566 0.1600 1 84 14 10 PHE CD1 C 132.575 0.0447 3 85 14 10 PHE CD2 C 132.575 0.0447 3 86 14 10 PHE CE1 C 130.854 0.0447 3 87 14 10 PHE CE2 C 130.854 0.0447 3 88 14 10 PHE CZ C 129.503 0.0447 1 89 14 10 PHE N N 119.054 0.0420 1 90 15 11 VAL H H 6.222 0.0050 1 91 15 11 VAL HA H 1.579 0.0090 1 92 15 11 VAL HB H 1.292 0.0060 1 93 15 11 VAL HG1 H 0.647 0.0040 1 94 15 11 VAL HG2 H 0.267 0.0050 1 95 15 11 VAL C C 172.957 0.0447 1 96 15 11 VAL CA C 62.956 0.0470 1 97 15 11 VAL CB C 31.558 0.0590 1 98 15 11 VAL CG1 C 18.838 0.0320 1 99 15 11 VAL CG2 C 21.255 0.0490 1 100 15 11 VAL N N 118.935 0.0200 1 101 16 12 ASP H H 7.981 0.0040 1 102 16 12 ASP HA H 4.730 0.0110 1 103 16 12 ASP HB2 H 2.720 0.0110 1 104 16 12 ASP HB3 H 2.318 0.0050 1 105 16 12 ASP C C 176.661 0.0447 1 106 16 12 ASP CA C 54.000 0.0270 1 107 16 12 ASP CB C 41.835 0.0940 1 108 16 12 ASP N N 117.385 0.0370 1 109 17 13 ASP H H 7.413 0.0110 1 110 17 13 ASP HA H 4.440 0.0050 1 111 17 13 ASP HB2 H 2.965 0.0090 1 112 17 13 ASP HB3 H 2.736 0.0140 1 113 17 13 ASP C C 177.147 0.0447 1 114 17 13 ASP CA C 56.086 0.0860 1 115 17 13 ASP CB C 40.997 0.1700 1 116 17 13 ASP N N 122.077 0.0180 1 117 18 14 ASP H H 9.039 0.0060 1 118 18 14 ASP HA H 4.891 0.0090 1 119 18 14 ASP HB2 H 2.913 0.0160 1 120 18 14 ASP HB3 H 2.558 0.0050 1 121 18 14 ASP C C 173.757 0.0447 1 122 18 14 ASP CA C 54.274 0.0500 1 123 18 14 ASP CB C 42.662 0.0770 1 124 18 14 ASP N N 120.699 0.0350 1 125 19 15 LYS H H 7.377 0.0050 1 126 19 15 LYS HA H 4.645 0.0060 1 127 19 15 LYS HB2 H 1.883 0.0040 1 128 19 15 LYS HB3 H 1.753 0.0080 1 129 19 15 LYS HD2 H 1.688 0.0220 1 130 19 15 LYS HD3 H 1.687 0.0230 1 131 19 15 LYS HE2 H 2.997 0.0110 1 132 19 15 LYS HE3 H 2.998 0.0130 1 133 19 15 LYS HG2 H 1.381 0.0060 1 134 19 15 LYS HG3 H 1.380 0.0060 1 135 19 15 LYS C C 175.073 0.0447 1 136 19 15 LYS CA C 53.927 0.0430 1 137 19 15 LYS CB C 35.354 0.0480 1 138 19 15 LYS CD C 28.972 0.1280 1 139 19 15 LYS CE C 42.188 0.0530 1 140 19 15 LYS CG C 24.219 0.1080 1 141 19 15 LYS N N 117.160 0.0200 1 142 20 16 ILE H H 8.442 0.0050 1 143 20 16 ILE HA H 3.848 0.0140 1 144 20 16 ILE HB H 1.584 0.0100 1 145 20 16 ILE HD1 H 0.889 0.0090 1 146 20 16 ILE HG12 H 1.600 0.0080 1 147 20 16 ILE HG13 H 1.572 0.0290 1 148 20 16 ILE HG2 H 0.903 0.0100 1 149 20 16 ILE C C 173.320 0.0447 1 150 20 16 ILE CA C 60.825 0.0790 1 151 20 16 ILE CB C 39.471 0.0550 1 152 20 16 ILE CD1 C 16.210 0.0650 1 153 20 16 ILE CG1 C 28.508 0.1320 1 154 20 16 ILE CG2 C 17.310 0.0860 1 155 20 16 ILE N N 119.222 0.0280 1 156 21 17 CYS H H 6.458 0.0100 1 157 21 17 CYS HA H 4.798 0.0130 1 158 21 17 CYS HB2 H 3.280 0.0060 1 159 21 17 CYS HB3 H 2.615 0.0050 1 160 21 17 CYS C C 172.811 0.0447 1 161 21 17 CYS CA C 55.104 0.0180 1 162 21 17 CYS CB C 30.790 0.0580 1 163 21 17 CYS N N 119.997 0.0400 1 164 22 18 SER H H 8.390 0.0060 1 165 22 18 SER HA H 4.327 0.0060 1 166 22 18 SER HB2 H 4.123 0.0040 1 167 22 18 SER HB3 H 3.883 0.0090 1 168 22 18 SER C C 176.303 0.0447 1 169 22 18 SER CA C 57.950 0.0660 1 170 22 18 SER CB C 63.969 0.0510 1 171 22 18 SER N N 112.622 0.0160 1 172 23 19 ARG H H 8.966 0.0150 1 173 23 19 ARG HA H 3.855 0.0100 1 174 23 19 ARG HB2 H 1.914 0.0160 1 175 23 19 ARG HB3 H 1.749 0.0090 1 176 23 19 ARG HD2 H 3.225 0.0120 1 177 23 19 ARG HD3 H 3.223 0.0120 1 178 23 19 ARG HG2 H 1.677 0.0180 1 179 23 19 ARG HG3 H 1.602 0.0710 1 180 23 19 ARG C C 177.897 0.0447 1 181 23 19 ARG CA C 59.742 0.0660 1 182 23 19 ARG CB C 29.718 0.1620 1 183 23 19 ARG CD C 43.284 0.2240 1 184 23 19 ARG CG C 27.575 0.0920 1 185 23 19 ARG N N 125.291 0.0270 1 186 24 20 ASP H H 8.224 0.0050 1 187 24 20 ASP HA H 4.472 0.0130 1 188 24 20 ASP HB2 H 2.759 0.0410 1 189 24 20 ASP HB3 H 2.673 0.0330 1 190 24 20 ASP C C 176.883 0.0447 1 191 24 20 ASP CA C 55.989 0.2310 1 192 24 20 ASP CB C 40.154 0.1880 1 193 24 20 ASP N N 115.435 0.0330 1 194 25 21 SER H H 7.865 0.0070 1 195 25 21 SER HA H 4.841 0.0110 1 196 25 21 SER HB2 H 4.367 0.0090 1 197 25 21 SER HB3 H 3.831 0.0110 1 198 25 21 SER C C 173.468 0.0447 1 199 25 21 SER CA C 59.347 0.0610 1 200 25 21 SER CB C 65.714 0.0380 1 201 25 21 SER N N 115.102 0.0190 1 202 26 22 ILE H H 7.228 0.0060 1 203 26 22 ILE HA H 3.567 0.0090 1 204 26 22 ILE HB H 2.139 0.0100 1 205 26 22 ILE HD1 H 0.539 0.0070 1 206 26 22 ILE HG12 H 1.657 0.0520 1 207 26 22 ILE HG13 H 1.389 0.0100 1 208 26 22 ILE HG2 H 0.846 0.0080 1 209 26 22 ILE C C 176.303 0.0447 1 210 26 22 ILE CA C 62.100 0.0750 1 211 26 22 ILE CB C 35.152 0.0630 1 212 26 22 ILE CD1 C 9.760 0.0460 1 213 26 22 ILE CG1 C 27.957 0.0900 1 214 26 22 ILE CG2 C 19.378 0.0550 1 215 26 22 ILE N N 121.947 0.0260 1 216 27 23 ILE H H 8.298 0.0040 1 217 27 23 ILE HA H 3.426 0.0100 1 218 27 23 ILE HB H 1.853 0.0070 1 219 27 23 ILE HD1 H 0.966 0.0190 1 220 27 23 ILE HG12 H 1.677 0.0050 1 221 27 23 ILE HG13 H 0.899 0.1900 1 222 27 23 ILE HG2 H 0.866 0.0070 1 223 27 23 ILE C C 176.769 0.0447 1 224 27 23 ILE CA C 67.055 0.0670 1 225 27 23 ILE CB C 36.835 0.0760 1 226 27 23 ILE CD1 C 13.786 0.0440 1 227 27 23 ILE CG1 C 30.861 0.0950 1 228 27 23 ILE CG2 C 17.577 0.0490 1 229 27 23 ILE N N 120.369 0.0940 1 230 28 24 ASP H H 7.634 0.0030 1 231 28 24 ASP HA H 4.445 0.0070 1 232 28 24 ASP HB2 H 2.970 0.0150 1 233 28 24 ASP HB3 H 2.968 0.0140 1 234 28 24 ASP C C 178.957 0.0447 1 235 28 24 ASP CA C 57.580 0.1330 1 236 28 24 ASP CB C 40.086 0.0720 1 237 28 24 ASP N N 119.261 0.0270 1 238 29 25 LEU H H 8.510 0.0080 1 239 29 25 LEU HA H 4.057 0.0080 1 240 29 25 LEU HB2 H 2.084 0.0130 1 241 29 25 LEU HB3 H 0.928 0.0070 1 242 29 25 LEU HD1 H 0.800 0.0160 1 243 29 25 LEU HD2 H 0.730 0.0190 1 244 29 25 LEU HG H 1.216 0.0100 1 245 29 25 LEU C C 176.868 0.0447 1 246 29 25 LEU CA C 58.429 0.0970 1 247 29 25 LEU CB C 40.318 0.1190 1 248 29 25 LEU CD1 C 23.895 0.0620 1 249 29 25 LEU CD2 C 26.098 0.0800 1 250 29 25 LEU CG C 27.736 0.0520 1 251 29 25 LEU N N 121.633 0.0420 1 252 30 26 ILE H H 7.992 0.0100 1 253 30 26 ILE HA H 3.786 0.0100 1 254 30 26 ILE HB H 2.116 0.0130 1 255 30 26 ILE HD1 H 0.684 0.0100 1 256 30 26 ILE HG12 H 1.824 0.1430 1 257 30 26 ILE HG13 H 1.361 0.0210 1 258 30 26 ILE HG2 H 0.911 0.0180 1 259 30 26 ILE C C 177.342 0.0447 1 260 30 26 ILE CA C 62.511 0.1060 1 261 30 26 ILE CB C 35.228 0.1000 1 262 30 26 ILE CD1 C 8.965 0.0350 1 263 30 26 ILE CG1 C 26.697 0.1120 1 264 30 26 ILE CG2 C 17.481 0.1680 1 265 30 26 ILE N N 117.624 0.0770 1 266 31 27 ASP H H 8.308 0.0100 1 267 31 27 ASP HA H 4.438 0.0070 1 268 31 27 ASP HB2 H 2.920 0.0170 1 269 31 27 ASP HB3 H 2.804 0.0070 1 270 31 27 ASP C C 178.921 0.0447 1 271 31 27 ASP CA C 57.893 0.2060 1 272 31 27 ASP CB C 42.630 0.1070 1 273 31 27 ASP N N 118.533 0.0700 1 274 32 28 GLU H H 8.740 0.0040 1 275 32 28 GLU HA H 4.434 0.0040 1 276 32 28 GLU HB2 H 2.615 0.0080 1 277 32 28 GLU HB3 H 2.615 0.0080 1 278 32 28 GLU HG2 H 3.233 0.0060 1 279 32 28 GLU HG3 H 2.794 0.0070 1 280 32 28 GLU C C 177.507 0.0447 1 281 32 28 GLU CA C 59.751 0.0820 1 282 32 28 GLU CB C 29.603 0.0530 1 283 32 28 GLU CG C 37.755 0.0730 1 284 32 28 GLU N N 118.703 0.0430 1 285 33 29 TYR H H 9.120 0.0050 1 286 33 29 TYR HA H 4.142 0.0250 1 287 33 29 TYR HB2 H 2.954 0.0150 1 288 33 29 TYR HB3 H 2.618 0.0110 1 289 33 29 TYR HD1 H 5.794 0.0190 3 290 33 29 TYR HD2 H 5.794 0.0190 3 291 33 29 TYR HE1 H 6.679 0.0050 3 292 33 29 TYR HE2 H 6.679 0.0050 3 293 33 29 TYR C C 176.800 0.0447 1 294 33 29 TYR CA C 60.791 0.0650 1 295 33 29 TYR CB C 38.781 0.1420 1 296 33 29 TYR CD1 C 133.562 0.0447 3 297 33 29 TYR CD2 C 133.562 0.0447 3 298 33 29 TYR CE1 C 118.102 0.0447 3 299 33 29 TYR CE2 C 118.102 0.0447 3 300 33 29 TYR N N 124.071 0.0350 1 301 34 30 ILE H H 8.245 0.0060 1 302 34 30 ILE HA H 3.330 0.0020 1 303 34 30 ILE HB H 2.219 0.0090 1 304 34 30 ILE HD1 H 0.863 0.0130 1 305 34 30 ILE HG12 H 1.660 0.0170 1 306 34 30 ILE HG13 H 1.658 0.0150 1 307 34 30 ILE HG2 H 0.899 0.0140 1 308 34 30 ILE C C 179.166 0.0447 1 309 34 30 ILE CA C 64.267 0.0540 1 310 34 30 ILE CB C 37.332 0.0950 1 311 34 30 ILE CD1 C 12.227 0.0447 1 312 34 30 ILE CG1 C 28.774 0.0510 1 313 34 30 ILE CG2 C 18.676 0.0260 1 314 34 30 ILE N N 118.293 0.0330 1 315 35 31 THR H H 7.852 0.0080 1 316 35 31 THR HA H 4.178 0.0110 1 317 35 31 THR HB H 4.807 0.0150 1 318 35 31 THR HG2 H 1.451 0.0030 1 319 35 31 THR C C 176.845 0.0447 1 320 35 31 THR CA C 67.433 0.0370 1 321 35 31 THR CB C 67.912 0.0050 1 322 35 31 THR CG2 C 21.961 0.0447 1 323 35 31 THR N N 118.552 0.1120 1 324 36 32 TRP H H 9.751 0.0060 1 325 36 32 TRP HA H 3.827 0.0070 1 326 36 32 TRP HB2 H 3.616 0.0140 1 327 36 32 TRP HB3 H 3.114 0.0120 1 328 36 32 TRP HD1 H 5.393 0.0080 1 329 36 32 TRP HE1 H 9.926 0.0030 1 330 36 32 TRP HE3 H 7.124 0.0130 1 331 36 32 TRP HH2 H 7.643 0.0090 1 332 36 32 TRP HZ2 H 7.185 0.0070 1 333 36 32 TRP HZ3 H 7.205 0.0020 1 334 36 32 TRP C C 176.770 0.0447 1 335 36 32 TRP CA C 62.599 0.0930 1 336 36 32 TRP CB C 27.434 0.0860 1 337 36 32 TRP CD1 C 124.981 0.0447 1 338 36 32 TRP CE3 C 119.990 0.0447 1 339 36 32 TRP CH2 C 125.821 0.0447 1 340 36 32 TRP CZ2 C 113.942 0.0447 1 341 36 32 TRP CZ3 C 121.590 0.0447 1 342 36 32 TRP N N 128.584 0.0510 1 343 36 32 TRP NE1 N 130.108 0.0280 1 344 37 33 ARG H H 7.943 0.0070 1 345 37 33 ARG HA H 3.589 0.0050 1 346 37 33 ARG HB2 H 1.879 0.0020 1 347 37 33 ARG HB3 H 1.673 0.0220 1 348 37 33 ARG HG2 H 1.352 0.0040 1 349 37 33 ARG HG3 H 1.225 0.0170 1 350 37 33 ARG C C 178.125 0.0447 1 351 37 33 ARG CA C 55.701 0.0260 1 352 37 33 ARG CB C 26.949 0.0670 1 353 37 33 ARG CG C 26.498 0.0090 1 354 37 33 ARG N N 114.915 0.0300 1 355 38 34 ASN H H 7.089 0.0080 1 356 38 34 ASN HA H 4.376 0.0100 1 357 38 34 ASN HB2 H 3.133 0.0130 1 358 38 34 ASN HB3 H 3.129 0.0120 1 359 38 34 ASN HD21 H 7.715 0.0120 1 360 38 34 ASN HD22 H 7.625 0.0113 1 361 38 34 ASN C C 175.591 0.0447 1 362 38 34 ASN CA C 57.311 0.0280 1 363 38 34 ASN CB C 41.434 0.0480 1 364 38 34 ASN N N 115.709 0.0360 1 365 38 34 ASN ND2 N 110.709 0.0670 1 366 39 35 HIS H H 8.722 0.0070 1 367 39 35 HIS HA H 4.090 0.0050 1 368 39 35 HIS HB2 H 3.377 0.0210 1 369 39 35 HIS HB3 H 3.367 0.0160 1 370 39 35 HIS HD2 H 6.883 0.0140 1 371 39 35 HIS C C 176.973 0.0447 1 372 39 35 HIS CA C 60.692 0.1050 1 373 39 35 HIS CB C 31.338 0.0900 1 374 39 35 HIS CD2 C 120.470 0.0447 1 375 39 35 HIS N N 122.161 0.0270 1 376 40 36 VAL H H 8.651 0.0050 1 377 40 36 VAL HA H 3.315 0.0130 1 378 40 36 VAL HB H 1.448 0.0040 1 379 40 36 VAL HG1 H 0.089 0.0190 1 380 40 36 VAL HG2 H 0.046 0.0140 1 381 40 36 VAL C C 177.248 0.0447 1 382 40 36 VAL CA C 65.216 0.0900 1 383 40 36 VAL CB C 30.974 0.0640 1 384 40 36 VAL CG1 C 20.443 0.0650 1 385 40 36 VAL CG2 C 19.536 0.0300 1 386 40 36 VAL N N 112.753 0.0460 1 387 41 37 ILE H H 6.690 0.0070 1 388 41 37 ILE HA H 3.826 0.0120 1 389 41 37 ILE HB H 1.927 0.0130 1 390 41 37 ILE HD1 H 0.545 0.0050 1 391 41 37 ILE HG12 H 1.723 0.0100 1 392 41 37 ILE HG13 H 1.230 0.0070 1 393 41 37 ILE HG2 H 0.202 0.0090 1 394 41 37 ILE C C 179.209 0.0447 1 395 41 37 ILE CA C 60.426 0.0700 1 396 41 37 ILE CB C 36.465 0.1350 1 397 41 37 ILE CD1 C 8.242 0.0390 1 398 41 37 ILE CG1 C 26.535 0.0720 1 399 41 37 ILE CG2 C 16.209 0.0550 1 400 41 37 ILE N N 117.578 0.0280 1 401 42 38 VAL H H 7.893 0.0090 1 402 42 38 VAL HA H 3.233 0.0080 1 403 42 38 VAL HB H 1.437 0.0100 1 404 42 38 VAL HG1 H 0.783 0.0090 1 405 42 38 VAL HG2 H 0.005 0.0060 1 406 42 38 VAL C C 177.430 0.0447 1 407 42 38 VAL CA C 66.434 0.0960 1 408 42 38 VAL CB C 32.005 0.1230 1 409 42 38 VAL CG1 C 23.273 0.0520 1 410 42 38 VAL CG2 C 20.827 0.0630 1 411 42 38 VAL N N 120.518 0.0330 1 412 43 39 PHE H H 7.975 0.0060 1 413 43 39 PHE HA H 4.527 0.0080 1 414 43 39 PHE HB2 H 3.310 0.0090 1 415 43 39 PHE HB3 H 2.150 0.0080 1 416 43 39 PHE HD1 H 6.870 0.0080 3 417 43 39 PHE HD2 H 6.870 0.0080 3 418 43 39 PHE HE1 H 7.148 0.0080 3 419 43 39 PHE HE2 H 7.148 0.0080 3 420 43 39 PHE C C 174.283 0.0447 1 421 43 39 PHE CA C 57.898 0.0560 1 422 43 39 PHE CB C 37.989 0.0730 1 423 43 39 PHE CD1 C 130.585 0.0447 3 424 43 39 PHE CD2 C 130.585 0.0447 3 425 43 39 PHE CE1 C 133.427 0.0447 3 426 43 39 PHE CE2 C 133.427 0.0447 3 427 43 39 PHE N N 112.836 0.0160 1 428 44 40 ASN H H 7.356 0.0070 1 429 44 40 ASN HA H 4.403 0.0060 1 430 44 40 ASN HB2 H 3.051 0.0070 1 431 44 40 ASN HB3 H 2.649 0.0070 1 432 44 40 ASN HD21 H 7.521 0.0110 1 433 44 40 ASN HD22 H 6.761 0.0070 1 434 44 40 ASN C C 174.779 0.0447 1 435 44 40 ASN CA C 54.281 0.1020 1 436 44 40 ASN CB C 37.101 0.0920 1 437 44 40 ASN N N 118.028 0.0210 1 438 44 40 ASN ND2 N 112.281 0.0540 1 439 45 41 LYS H H 8.497 0.0080 1 440 45 41 LYS HA H 4.484 0.0150 1 441 45 41 LYS HB2 H 2.010 0.0130 1 442 45 41 LYS HB3 H 1.444 0.0040 1 443 45 41 LYS HD2 H 1.687 0.0070 1 444 45 41 LYS HD3 H 1.685 0.0070 1 445 45 41 LYS HG2 H 1.447 0.0070 1 446 45 41 LYS HG3 H 1.298 0.0050 1 447 45 41 LYS C C 175.247 0.0447 1 448 45 41 LYS CA C 54.464 0.0640 1 449 45 41 LYS CB C 33.926 0.1020 1 450 45 41 LYS CD C 28.877 0.0920 1 451 45 41 LYS CE C 41.937 0.0110 1 452 45 41 LYS CG C 24.983 0.1200 1 453 45 41 LYS N N 117.508 0.0240 1 454 46 42 ASP H H 8.294 0.0080 1 455 46 42 ASP HA H 4.634 0.0040 1 456 46 42 ASP HB2 H 2.974 0.0050 1 457 46 42 ASP HB3 H 2.661 0.0030 1 458 46 42 ASP C C 177.852 0.0447 1 459 46 42 ASP CA C 53.484 0.0260 1 460 46 42 ASP CB C 41.170 0.0390 1 461 46 42 ASP N N 118.746 0.0420 1 462 47 43 ILE H H 8.629 0.0110 1 463 47 43 ILE HA H 4.137 0.0060 1 464 47 43 ILE HB H 1.832 0.0110 1 465 47 43 ILE HD1 H 0.843 0.0200 1 466 47 43 ILE HG12 H 1.488 0.0080 1 467 47 43 ILE HG13 H 1.488 0.0080 1 468 47 43 ILE HG2 H 0.907 0.0160 1 469 47 43 ILE C C 174.813 0.0447 1 470 47 43 ILE CA C 63.056 0.0890 1 471 47 43 ILE CB C 38.926 0.3450 1 472 47 43 ILE CD1 C 14.478 0.0870 1 473 47 43 ILE CG1 C 29.085 0.1200 1 474 47 43 ILE CG2 C 17.295 0.1000 1 475 47 43 ILE N N 128.962 0.0220 1 476 48 44 THR H H 8.392 0.0070 1 477 48 44 THR HA H 4.417 0.0080 1 478 48 44 THR HB H 4.419 0.0090 1 479 48 44 THR HG2 H 1.283 0.0040 1 480 48 44 THR C C 176.169 0.0447 1 481 48 44 THR CA C 62.556 0.0950 1 482 48 44 THR CB C 69.404 0.0800 1 483 48 44 THR CG2 C 22.061 0.0540 1 484 48 44 THR N N 109.128 0.0250 1 485 49 45 SER H H 7.724 0.0260 1 486 49 45 SER HA H 4.702 0.0070 1 487 49 45 SER HB2 H 4.130 0.0040 1 488 49 45 SER HB3 H 3.919 0.0080 1 489 49 45 SER C C 173.100 0.0447 1 490 49 45 SER CA C 56.877 0.0560 1 491 49 45 SER CB C 62.068 0.0750 1 492 49 45 SER N N 119.282 0.0950 1 493 50 46 CYS H H 7.778 0.0230 1 494 50 46 CYS HA H 4.703 0.0110 1 495 50 46 CYS HB2 H 2.902 0.0110 1 496 50 46 CYS HB3 H 2.727 0.0140 1 497 50 46 CYS C C 173.876 0.0447 1 498 50 46 CYS CA C 55.950 0.0660 1 499 50 46 CYS CB C 29.158 0.0740 1 500 50 46 CYS N N 119.060 0.0480 1 501 51 47 GLY H H 8.950 0.0070 1 502 51 47 GLY HA2 H 4.362 0.0070 1 503 51 47 GLY HA3 H 3.370 0.0020 1 504 51 47 GLY C C 173.681 0.0447 1 505 51 47 GLY CA C 43.892 0.0690 1 506 51 47 GLY N N 106.960 0.0340 1 507 52 48 ARG H H 9.161 0.0050 1 508 52 48 ARG HA H 3.793 0.0100 1 509 52 48 ARG HB2 H 1.924 0.0120 1 510 52 48 ARG HB3 H 1.737 0.0110 1 511 52 48 ARG HD2 H 3.224 0.0100 1 512 52 48 ARG HD3 H 3.224 0.0100 1 513 52 48 ARG HG2 H 1.938 0.0090 1 514 52 48 ARG HG3 H 1.606 0.0050 1 515 52 48 ARG C C 178.653 0.0447 1 516 52 48 ARG CA C 59.763 0.0830 1 517 52 48 ARG CB C 31.042 0.1190 1 518 52 48 ARG CD C 43.533 0.0430 1 519 52 48 ARG CG C 28.209 0.0960 1 520 52 48 ARG N N 115.139 0.0270 1 521 53 49 LEU H H 7.917 0.0090 1 522 53 49 LEU HA H 3.913 0.0130 1 523 53 49 LEU HB2 H 2.101 0.0090 1 524 53 49 LEU HB3 H 0.996 0.0090 1 525 53 49 LEU HD1 H 1.006 0.0090 1 526 53 49 LEU HD2 H 0.729 0.0150 1 527 53 49 LEU HG H 1.411 0.0080 1 528 53 49 LEU C C 177.031 0.0447 1 529 53 49 LEU CA C 58.943 0.0870 1 530 53 49 LEU CB C 40.963 0.1330 1 531 53 49 LEU CD1 C 26.348 0.0880 1 532 53 49 LEU CD2 C 23.931 0.0550 1 533 53 49 LEU CG C 27.356 0.1090 1 534 53 49 LEU N N 119.133 0.0710 1 535 54 50 TYR H H 9.544 0.0060 1 536 54 50 TYR HA H 3.778 0.0090 1 537 54 50 TYR HB2 H 2.983 0.0190 1 538 54 50 TYR HB3 H 2.670 0.0210 1 539 54 50 TYR C C 179.171 0.0447 1 540 54 50 TYR CA C 60.815 0.0920 1 541 54 50 TYR CB C 37.528 0.1060 1 542 54 50 TYR N N 122.028 0.0300 1 543 55 51 LYS H H 8.087 0.0060 1 544 55 51 LYS HA H 3.926 0.0080 1 545 55 51 LYS HB2 H 1.785 0.0180 1 546 55 51 LYS HB3 H 1.765 0.0210 1 547 55 51 LYS HD2 H 1.666 0.0120 1 548 55 51 LYS HD3 H 1.633 0.0410 1 549 55 51 LYS HE2 H 2.941 0.0060 1 550 55 51 LYS HE3 H 2.941 0.0050 1 551 55 51 LYS HG2 H 1.415 0.0170 1 552 55 51 LYS HG3 H 1.326 0.0260 1 553 55 51 LYS C C 179.729 0.0447 1 554 55 51 LYS CA C 60.684 0.1290 1 555 55 51 LYS CB C 32.475 0.0870 1 556 55 51 LYS CD C 28.927 0.1040 1 557 55 51 LYS CE C 42.131 0.0300 1 558 55 51 LYS CG C 24.692 0.0720 1 559 55 51 LYS N N 116.306 0.0350 1 560 56 52 GLU H H 7.880 0.0160 1 561 56 52 GLU HA H 3.787 0.0140 1 562 56 52 GLU HB2 H 1.912 0.0250 1 563 56 52 GLU HB3 H 1.798 0.0310 1 564 56 52 GLU HG2 H 2.320 0.0060 1 565 56 52 GLU HG3 H 2.306 0.0140 1 566 56 52 GLU C C 179.156 0.0447 1 567 56 52 GLU CA C 58.583 0.0650 1 568 56 52 GLU CB C 28.583 0.1720 1 569 56 52 GLU CG C 36.075 0.0470 1 570 56 52 GLU N N 119.040 0.0500 1 571 57 53 LEU H H 7.222 0.0080 1 572 57 53 LEU HA H 2.646 0.0080 1 573 57 53 LEU HB2 H 0.949 0.0100 1 574 57 53 LEU HB3 H -0.168 0.0060 1 575 57 53 LEU HD1 H 0.263 0.0050 1 576 57 53 LEU HD2 H -0.004 0.0060 1 577 57 53 LEU HG H 1.371 0.0060 1 578 57 53 LEU C C 181.087 0.0447 1 579 57 53 LEU CA C 56.682 0.0910 1 580 57 53 LEU CB C 39.043 0.0530 1 581 57 53 LEU CD1 C 22.800 0.0510 1 582 57 53 LEU CD2 C 25.360 0.0660 1 583 57 53 LEU CG C 25.449 0.3360 1 584 57 53 LEU N N 118.969 0.0210 1 585 58 54 MET H H 8.301 0.0050 1 586 58 54 MET HA H 4.111 0.0050 1 587 58 54 MET HB2 H 2.225 0.0150 1 588 58 54 MET HB3 H 2.212 0.0160 1 589 58 54 MET HE H 2.285 0.0080 1 590 58 54 MET HG2 H 3.108 0.0100 1 591 58 54 MET HG3 H 2.907 0.0140 1 592 58 54 MET C C 178.886 0.0447 1 593 58 54 MET CA C 59.528 0.0560 1 594 58 54 MET CB C 33.848 0.1020 1 595 58 54 MET CE C 17.737 0.0390 1 596 58 54 MET CG C 33.794 0.0500 1 597 58 54 MET N N 120.176 0.0950 1 598 59 55 LYS H H 7.116 0.0070 1 599 59 55 LYS HA H 4.283 0.0080 1 600 59 55 LYS HB2 H 2.044 0.0150 1 601 59 55 LYS HB3 H 2.042 0.0120 1 602 59 55 LYS HD2 H 1.770 0.0090 1 603 59 55 LYS HD3 H 1.770 0.0100 1 604 59 55 LYS HE2 H 2.963 0.0210 1 605 59 55 LYS HE3 H 2.804 0.0110 1 606 59 55 LYS HG2 H 1.788 0.0130 1 607 59 55 LYS HG3 H 1.471 0.0080 1 608 59 55 LYS C C 179.560 0.0447 1 609 59 55 LYS CA C 58.664 0.0820 1 610 59 55 LYS CB C 31.256 0.0730 1 611 59 55 LYS CD C 29.434 0.0710 1 612 59 55 LYS CE C 42.395 0.0990 1 613 59 55 LYS CG C 25.730 0.0740 1 614 59 55 LYS N N 118.609 0.0320 1 615 60 56 PHE H H 7.876 0.0080 1 616 60 56 PHE HA H 4.703 0.0160 1 617 60 56 PHE HB2 H 3.810 0.0130 1 618 60 56 PHE HB3 H 3.191 0.0190 1 619 60 56 PHE HD1 H 6.716 0.0080 3 620 60 56 PHE HD2 H 6.716 0.0080 3 621 60 56 PHE HE1 H 6.467 0.0050 3 622 60 56 PHE HE2 H 6.467 0.0050 3 623 60 56 PHE HZ H 5.715 0.0060 1 624 60 56 PHE C C 178.307 0.0447 1 625 60 56 PHE CA C 56.102 0.0650 1 626 60 56 PHE CB C 34.701 0.0770 1 627 60 56 PHE CD1 C 128.054 0.0447 3 628 60 56 PHE CD2 C 128.054 0.0447 3 629 60 56 PHE CE1 C 130.958 0.0447 3 630 60 56 PHE CE2 C 130.958 0.0447 3 631 60 56 PHE CZ C 126.644 0.0447 1 632 60 56 PHE N N 118.978 0.0470 1 633 61 57 ASP H H 8.303 0.0110 1 634 61 57 ASP HA H 4.093 0.0100 1 635 61 57 ASP HB2 H 2.998 0.0050 1 636 61 57 ASP HB3 H 2.595 0.0060 1 637 61 57 ASP C C 178.088 0.0447 1 638 61 57 ASP CA C 58.597 0.0140 1 639 61 57 ASP CB C 39.811 0.0450 1 640 61 57 ASP N N 124.193 0.0200 1 641 62 58 ASP H H 7.406 0.0060 1 642 62 58 ASP HA H 4.523 0.0040 1 643 62 58 ASP HB2 H 2.872 0.0180 1 644 62 58 ASP HB3 H 2.747 0.0050 1 645 62 58 ASP C C 179.219 0.0447 1 646 62 58 ASP CA C 57.078 0.0500 1 647 62 58 ASP CB C 40.775 0.0470 1 648 62 58 ASP N N 116.698 0.0200 1 649 63 59 VAL H H 7.194 0.0060 1 650 63 59 VAL HA H 3.691 0.0160 1 651 63 59 VAL HB H 2.213 0.0090 1 652 63 59 VAL HG1 H 1.230 0.0100 1 653 63 59 VAL HG2 H 1.022 0.0090 1 654 63 59 VAL C C 177.961 0.0447 1 655 63 59 VAL CA C 66.150 0.1210 1 656 63 59 VAL CB C 31.128 0.1070 1 657 63 59 VAL CG1 C 22.362 0.0420 1 658 63 59 VAL CG2 C 21.923 0.0550 1 659 63 59 VAL N N 120.684 0.0320 1 660 64 60 ALA H H 8.232 0.0070 1 661 64 60 ALA HA H 4.255 0.0110 1 662 64 60 ALA HB H 1.831 0.0090 1 663 64 60 ALA C C 179.282 0.0447 1 664 64 60 ALA CA C 56.078 0.0210 1 665 64 60 ALA CB C 17.666 0.0600 1 666 64 60 ALA N N 121.352 0.0300 1 667 65 61 ILE H H 7.945 0.0080 1 668 65 61 ILE HA H 3.520 0.0080 1 669 65 61 ILE HB H 1.978 0.0090 1 670 65 61 ILE HD1 H 0.945 0.0120 1 671 65 61 ILE HG12 H 1.850 0.0100 1 672 65 61 ILE HG13 H 1.099 0.0050 1 673 65 61 ILE HG2 H 0.948 0.0120 1 674 65 61 ILE C C 178.194 0.0447 1 675 65 61 ILE CA C 65.920 0.0890 1 676 65 61 ILE CB C 38.008 0.0350 1 677 65 61 ILE CD1 C 13.280 0.0840 1 678 65 61 ILE CG1 C 29.563 0.1030 1 679 65 61 ILE CG2 C 17.400 0.0447 1 680 65 61 ILE N N 117.889 0.0540 1 681 66 62 ARG H H 7.747 0.0070 1 682 66 62 ARG HA H 4.107 0.0070 1 683 66 62 ARG HB2 H 1.968 0.0060 1 684 66 62 ARG HB3 H 1.967 0.0070 1 685 66 62 ARG HD2 H 3.242 0.0050 1 686 66 62 ARG HD3 H 3.243 0.0060 1 687 66 62 ARG HG2 H 1.757 0.0120 1 688 66 62 ARG HG3 H 1.755 0.0140 1 689 66 62 ARG C C 177.418 0.0447 1 690 66 62 ARG CA C 59.038 0.0740 1 691 66 62 ARG CB C 30.223 0.0810 1 692 66 62 ARG CD C 43.599 0.0900 1 693 66 62 ARG CG C 27.627 0.0960 1 694 66 62 ARG N N 119.087 0.0390 1 695 67 63 TYR H H 8.631 0.0090 1 696 67 63 TYR HA H 4.046 0.0080 1 697 67 63 TYR HB2 H 2.904 0.0060 1 698 67 63 TYR HB3 H 2.547 0.0110 1 699 67 63 TYR HD1 H 6.039 0.0090 3 700 67 63 TYR HD2 H 6.039 0.0090 3 701 67 63 TYR HE1 H 6.455 0.0130 3 702 67 63 TYR HE2 H 6.455 0.0130 3 703 67 63 TYR C C 177.240 0.0447 1 704 67 63 TYR CA C 61.200 0.0850 1 705 67 63 TYR CB C 40.694 0.0530 1 706 67 63 TYR CD1 C 132.882 0.0447 3 707 67 63 TYR CD2 C 132.882 0.0447 3 708 67 63 TYR CE1 C 117.552 0.0447 3 709 67 63 TYR CE2 C 117.552 0.0447 3 710 67 63 TYR N N 120.221 0.0400 1 711 68 64 TYR H H 8.598 0.0080 1 712 68 64 TYR HA H 4.389 0.0290 1 713 68 64 TYR HB2 H 2.946 0.0270 1 714 68 64 TYR HB3 H 2.915 0.0140 1 715 68 64 TYR HD1 H 7.294 0.0070 3 716 68 64 TYR HD2 H 7.294 0.0070 3 717 68 64 TYR HE1 H 6.821 0.0110 3 718 68 64 TYR HE2 H 6.821 0.0110 3 719 68 64 TYR C C 177.492 0.0447 1 720 68 64 TYR CA C 60.521 0.0620 1 721 68 64 TYR CB C 39.814 0.1550 1 722 68 64 TYR CD1 C 132.957 0.0447 3 723 68 64 TYR CD2 C 132.957 0.0447 3 724 68 64 TYR CE1 C 118.611 0.0447 3 725 68 64 TYR CE2 C 118.611 0.0447 3 726 68 64 TYR N N 114.134 0.0200 1 727 69 65 GLY H H 7.556 0.0050 1 728 69 65 GLY HA2 H 4.509 0.0070 1 729 69 65 GLY HA3 H 4.006 0.0040 1 730 69 65 GLY C C 174.417 0.0447 1 731 69 65 GLY CA C 44.358 0.0730 1 732 69 65 GLY N N 108.374 0.0520 1 733 70 66 ILE H H 8.592 0.0060 1 734 70 66 ILE HA H 3.880 0.0060 1 735 70 66 ILE HB H 1.827 0.0080 1 736 70 66 ILE HD1 H 0.930 0.0090 1 737 70 66 ILE HG12 H 1.491 0.0070 1 738 70 66 ILE HG13 H 1.326 0.0050 1 739 70 66 ILE HG2 H 0.931 0.0120 1 740 70 66 ILE C C 176.306 0.0447 1 741 70 66 ILE CA C 63.311 0.0670 1 742 70 66 ILE CB C 38.523 0.0770 1 743 70 66 ILE CD1 C 13.417 0.0940 1 744 70 66 ILE CG1 C 28.880 0.0800 1 745 70 66 ILE CG2 C 17.384 0.1280 1 746 70 66 ILE N N 122.699 0.0250 1 747 71 67 ASP H H 8.411 0.0060 1 748 71 67 ASP HA H 4.457 0.0070 1 749 71 67 ASP HB2 H 2.703 0.0050 1 750 71 67 ASP HB3 H 2.587 0.0110 1 751 71 67 ASP C C 178.292 0.0447 1 752 71 67 ASP CA C 56.660 0.1960 1 753 71 67 ASP CB C 39.924 0.0920 1 754 71 67 ASP N N 119.577 0.0240 1 755 72 68 LYS H H 7.829 0.0120 1 756 72 68 LYS HA H 4.259 0.0060 1 757 72 68 LYS HB2 H 1.896 0.0180 1 758 72 68 LYS HB3 H 1.888 0.0090 1 759 72 68 LYS HD2 H 1.811 0.0200 1 760 72 68 LYS HD3 H 1.810 0.0220 1 761 72 68 LYS HE2 H 2.966 0.0120 1 762 72 68 LYS HE3 H 2.965 0.0110 1 763 72 68 LYS HG2 H 1.561 0.0110 1 764 72 68 LYS HG3 H 1.450 0.0010 1 765 72 68 LYS C C 178.259 0.0447 1 766 72 68 LYS CA C 56.807 0.3090 1 767 72 68 LYS CB C 31.718 0.1230 1 768 72 68 LYS CD C 27.729 0.2770 1 769 72 68 LYS CE C 41.873 0.0030 1 770 72 68 LYS CG C 24.516 0.0840 1 771 72 68 LYS N N 120.734 0.0300 1 772 73 69 ILE H H 7.912 0.0080 1 773 73 69 ILE HA H 3.453 0.0110 1 774 73 69 ILE HB H 1.971 0.0090 1 775 73 69 ILE HD1 H 0.744 0.0170 1 776 73 69 ILE HG12 H 1.626 0.0100 1 777 73 69 ILE HG13 H 1.036 0.0130 1 778 73 69 ILE HG2 H 0.782 0.0150 1 779 73 69 ILE C C 176.524 0.0447 1 780 73 69 ILE CA C 65.186 0.0780 1 781 73 69 ILE CB C 36.854 0.1170 1 782 73 69 ILE CD1 C 13.382 0.1150 1 783 73 69 ILE CG1 C 28.837 0.0700 1 784 73 69 ILE CG2 C 16.575 0.0250 1 785 73 69 ILE N N 118.918 0.0590 1 786 74 70 ASN H H 8.117 0.0090 1 787 74 70 ASN HA H 4.264 0.0060 1 788 74 70 ASN HB2 H 2.810 0.0190 1 789 74 70 ASN HB3 H 2.757 0.0280 1 790 74 70 ASN HD21 H 7.694 0.0160 1 791 74 70 ASN HD22 H 6.771 0.0050 1 792 74 70 ASN C C 177.480 0.0447 1 793 74 70 ASN CA C 56.184 0.0480 1 794 74 70 ASN CB C 37.412 0.0430 1 795 74 70 ASN N N 117.367 0.0260 1 796 74 70 ASN ND2 N 112.268 0.0460 1 797 75 71 GLU H H 7.744 0.0060 1 798 75 71 GLU HA H 3.956 0.0060 1 799 75 71 GLU HB2 H 2.141 0.0050 1 800 75 71 GLU HB3 H 2.140 0.0050 1 801 75 71 GLU HG2 H 2.346 0.0110 1 802 75 71 GLU HG3 H 2.335 0.0190 1 803 75 71 GLU C C 179.171 0.0447 1 804 75 71 GLU CA C 59.254 0.0670 1 805 75 71 GLU CB C 29.843 0.0190 1 806 75 71 GLU CG C 36.092 0.0620 1 807 75 71 GLU N N 120.312 0.0280 1 808 76 72 ILE H H 8.135 0.0060 1 809 76 72 ILE HA H 3.453 0.0040 1 810 76 72 ILE HB H 1.636 0.0140 1 811 76 72 ILE HD1 H 0.441 0.0110 1 812 76 72 ILE HG12 H 0.736 0.0080 1 813 76 72 ILE HG13 H 0.735 0.0080 1 814 76 72 ILE HG2 H 0.578 0.0130 1 815 76 72 ILE C C 177.819 0.0447 1 816 76 72 ILE CA C 65.180 0.0760 1 817 76 72 ILE CB C 38.134 0.0830 1 818 76 72 ILE CD1 C 13.511 0.0340 1 819 76 72 ILE CG1 C 28.800 0.0270 1 820 76 72 ILE CG2 C 17.206 0.0420 1 821 76 72 ILE N N 121.608 0.0250 1 822 77 73 VAL H H 8.402 0.0060 1 823 77 73 VAL HA H 3.299 0.0090 1 824 77 73 VAL HB H 1.851 0.0060 1 825 77 73 VAL HG1 H 0.691 0.0070 1 826 77 73 VAL HG2 H 0.407 0.0080 1 827 77 73 VAL C C 178.484 0.0447 1 828 77 73 VAL CA C 66.738 0.1090 1 829 77 73 VAL CB C 31.242 0.0790 1 830 77 73 VAL CG1 C 22.337 0.0550 1 831 77 73 VAL CG2 C 20.918 0.0410 1 832 77 73 VAL N N 118.269 0.0330 1 833 78 74 GLU H H 7.745 0.0070 1 834 78 74 GLU HA H 3.951 0.0080 1 835 78 74 GLU HB2 H 1.997 0.0210 1 836 78 74 GLU HB3 H 1.995 0.0200 1 837 78 74 GLU HG2 H 2.304 0.0100 1 838 78 74 GLU HG3 H 2.157 0.0300 1 839 78 74 GLU C C 178.994 0.0447 1 840 78 74 GLU CA C 59.145 0.1040 1 841 78 74 GLU CB C 29.705 0.3720 1 842 78 74 GLU CG C 36.101 0.0470 1 843 78 74 GLU N N 118.405 0.0690 1 844 79 75 ALA H H 7.909 0.0070 1 845 79 75 ALA HA H 4.209 0.0090 1 846 79 75 ALA HB H 1.372 0.0060 1 847 79 75 ALA C C 180.170 0.0447 1 848 79 75 ALA CA C 54.594 0.0260 1 849 79 75 ALA CB C 18.287 0.0310 1 850 79 75 ALA N N 122.171 0.0390 1 851 80 76 MET H H 8.247 0.0220 1 852 80 76 MET HA H 4.523 0.0140 1 853 80 76 MET HB2 H 2.145 0.0220 1 854 80 76 MET HB3 H 2.078 0.0240 1 855 80 76 MET HE H 2.063 0.0180 1 856 80 76 MET HG2 H 2.593 0.0120 1 857 80 76 MET HG3 H 2.592 0.0110 1 858 80 76 MET C C 178.511 0.0447 1 859 80 76 MET CA C 56.417 0.1160 1 860 80 76 MET CB C 32.750 0.0110 1 861 80 76 MET CE C 17.124 0.0390 1 862 80 76 MET CG C 32.586 0.0270 1 863 80 76 MET N N 115.846 0.0450 1 864 81 77 SER H H 8.143 0.0080 1 865 81 77 SER HA H 4.466 0.0180 1 866 81 77 SER HB2 H 4.065 0.0110 1 867 81 77 SER HB3 H 4.058 0.0100 1 868 81 77 SER C C 174.636 0.0447 1 869 81 77 SER CA C 60.585 0.1880 1 870 81 77 SER CB C 63.592 0.0340 1 871 81 77 SER N N 116.256 0.0260 1 872 82 78 GLU H H 7.908 0.0070 1 873 82 78 GLU HA H 4.417 0.0040 1 874 82 78 GLU HB2 H 2.186 0.0240 1 875 82 78 GLU HB3 H 2.187 0.0230 1 876 82 78 GLU C C 176.815 0.0447 1 877 82 78 GLU CA C 56.422 0.0280 1 878 82 78 GLU CB C 30.544 0.0390 1 879 82 78 GLU N N 119.814 0.1630 1 880 83 79 GLY H H 7.935 0.0080 1 881 83 79 GLY HA2 H 4.056 0.0060 1 882 83 79 GLY HA3 H 3.871 0.0040 1 883 83 79 GLY C C 173.664 0.0447 1 884 83 79 GLY CA C 45.513 0.0980 1 885 83 79 GLY N N 107.958 0.0270 1 886 84 80 ASP H H 8.119 0.0090 1 887 84 80 ASP HA H 4.614 0.0070 1 888 84 80 ASP HB2 H 2.592 0.0050 1 889 84 80 ASP HB3 H 2.590 0.0030 1 890 84 80 ASP C C 175.343 0.0447 1 891 84 80 ASP CA C 54.206 0.0150 1 892 84 80 ASP CB C 41.271 0.0990 1 893 84 80 ASP N N 119.395 0.0420 1 894 85 81 HIS H H 7.995 0.0180 1 895 85 81 HIS HA H 4.628 0.0030 1 896 85 81 HIS HB2 H 2.994 0.0440 1 897 85 81 HIS HB3 H 2.969 0.0060 1 898 85 81 HIS C C 173.890 0.0447 1 899 85 81 HIS CA C 55.719 0.0750 1 900 85 81 HIS CB C 31.217 0.0690 1 901 85 81 HIS N N 118.952 0.0730 1 902 86 82 TYR H H 7.928 0.0160 1 903 86 82 TYR HA H 4.548 0.0080 1 904 86 82 TYR HB3 H 2.787 0.0020 1 905 86 82 TYR HD1 H 6.981 0.0140 3 906 86 82 TYR HD2 H 6.981 0.0140 3 907 86 82 TYR HE1 H 6.755 0.0140 3 908 86 82 TYR HE2 H 6.755 0.0140 3 909 86 82 TYR C C 175.318 0.0447 1 910 86 82 TYR CA C 57.840 0.0950 1 911 86 82 TYR CB C 40.003 0.0260 1 912 86 82 TYR CD1 C 133.085 0.0447 3 913 86 82 TYR CD2 C 133.085 0.0447 3 914 86 82 TYR CE1 C 118.190 0.0447 3 915 86 82 TYR CE2 C 118.190 0.0447 3 916 86 82 TYR N N 120.714 0.1540 1 917 87 83 ILE H H 8.181 0.0050 1 918 87 83 ILE HA H 3.884 0.0113 1 919 87 83 ILE HB H 1.455 0.0090 1 920 87 83 ILE HD1 H 0.784 0.0230 1 921 87 83 ILE HG12 H 1.407 0.0113 1 922 87 83 ILE HG13 H 1.033 0.0030 1 923 87 83 ILE HG2 H 0.513 0.0180 1 924 87 83 ILE CA C 60.419 0.0160 1 925 87 83 ILE CB C 38.562 0.0447 1 926 87 83 ILE CD1 C 13.215 0.0447 1 927 87 83 ILE CG1 C 27.407 0.1320 1 928 87 83 ILE CG2 C 17.580 0.0447 1 929 87 83 ILE N N 122.019 0.0440 1 930 88 84 ASN C C 176.003 0.0447 1 931 88 84 ASN CA C 51.922 0.0447 1 932 88 84 ASN CB C 38.610 0.0447 1 933 89 85 PHE H H 8.805 0.0190 1 934 89 85 PHE HA H 4.643 0.0070 1 935 89 85 PHE HB2 H 3.185 0.0113 1 936 89 85 PHE HB3 H 2.992 0.0113 1 937 89 85 PHE HD1 H 7.261 0.0113 3 938 89 85 PHE HD2 H 7.261 0.0113 3 939 89 85 PHE C C 176.851 0.0447 1 940 89 85 PHE CA C 57.794 0.0530 1 941 89 85 PHE CB C 38.804 0.0610 1 942 89 85 PHE CD1 C 132.254 0.0447 3 943 89 85 PHE CD2 C 132.254 0.0447 3 944 89 85 PHE N N 124.543 0.0300 1 945 90 86 THR H H 8.137 0.0050 1 946 90 86 THR HA H 4.373 0.0050 1 947 90 86 THR HB H 4.760 0.0020 1 948 90 86 THR HG2 H 1.305 0.0180 1 949 90 86 THR C C 174.856 0.0447 1 950 90 86 THR CA C 63.357 0.0460 1 951 90 86 THR CB C 69.529 0.0447 1 952 90 86 THR N N 109.885 0.0300 1 953 91 87 LYS H H 7.526 0.0250 1 954 91 87 LYS HA H 4.366 0.0130 1 955 91 87 LYS HB2 H 1.983 0.0150 1 956 91 87 LYS HB3 H 1.748 0.0150 1 957 91 87 LYS C C 175.916 0.0447 1 958 91 87 LYS CA C 55.649 0.0580 1 959 91 87 LYS CB C 32.174 0.0440 1 960 91 87 LYS N N 119.432 0.0460 1 961 92 88 VAL H H 7.409 0.0220 1 962 92 88 VAL HA H 3.725 0.0100 1 963 92 88 VAL HB H 2.055 0.0060 1 964 92 88 VAL HG1 H 0.935 0.0113 1 965 92 88 VAL HG2 H 0.847 0.0190 1 966 92 88 VAL CA C 63.763 0.0130 1 967 92 88 VAL CB C 31.820 0.0447 1 968 92 88 VAL CG1 C 21.979 0.0447 1 969 92 88 VAL CG2 C 21.326 0.0447 1 970 92 88 VAL N N 121.767 0.0470 1 971 93 89 HIS HA H 5.021 0.0100 1 972 93 89 HIS HB2 H 3.117 0.0113 1 973 93 89 HIS HB3 H 3.102 0.0113 1 974 93 89 HIS C C 173.723 0.0447 1 975 93 89 HIS CA C 55.205 0.0447 1 976 93 89 HIS CB C 32.129 0.0090 1 977 94 90 ASP H H 7.430 0.0260 1 978 94 90 ASP HA H 4.450 0.0100 1 979 94 90 ASP HB2 H 2.827 0.0240 1 980 94 90 ASP HB3 H 2.824 0.0170 1 981 94 90 ASP C C 174.032 0.0447 1 982 94 90 ASP CA C 52.337 0.0680 1 983 94 90 ASP CB C 41.959 0.2420 1 984 94 90 ASP N N 117.359 0.1030 1 985 95 91 GLN H H 8.391 0.0240 1 986 95 91 GLN HA H 3.080 0.0130 1 987 95 91 GLN HB2 H 1.744 0.0070 1 988 95 91 GLN HB3 H 1.541 0.0040 1 989 95 91 GLN HE21 H 7.308 0.0020 1 990 95 91 GLN HE22 H 6.965 0.0020 1 991 95 91 GLN HG2 H 0.968 0.0090 1 992 95 91 GLN HG3 H 0.965 0.0090 1 993 95 91 GLN C C 174.882 0.0447 1 994 95 91 GLN CA C 59.882 0.0740 1 995 95 91 GLN CB C 29.243 0.0770 1 996 95 91 GLN CG C 34.285 0.0350 1 997 95 91 GLN N N 118.582 0.2390 1 998 95 91 GLN NE2 N 113.158 0.0550 1 999 96 92 GLU H H 7.785 0.0040 1 1000 96 92 GLU HA H 3.486 0.0070 1 1001 96 92 GLU HB2 H 1.848 0.0100 1 1002 96 92 GLU HB3 H 1.755 0.0110 1 1003 96 92 GLU HG2 H 1.994 0.0300 1 1004 96 92 GLU HG3 H 1.987 0.0310 1 1005 96 92 GLU C C 177.649 0.0447 1 1006 96 92 GLU CA C 59.807 0.0670 1 1007 96 92 GLU CB C 29.356 0.1180 1 1008 96 92 GLU CG C 36.376 0.2050 1 1009 96 92 GLU N N 117.525 0.0470 1 1010 97 93 SER H H 8.235 0.0130 1 1011 97 93 SER HA H 3.101 0.0090 1 1012 97 93 SER HB2 H 3.762 0.0280 1 1013 97 93 SER HB3 H 3.725 0.0160 1 1014 97 93 SER C C 177.764 0.0447 1 1015 97 93 SER CA C 61.588 0.0350 1 1016 97 93 SER CB C 62.337 0.1370 1 1017 97 93 SER N N 112.286 0.0260 1 1018 98 94 LEU H H 8.101 0.0160 1 1019 98 94 LEU HA H 3.801 0.0290 1 1020 98 94 LEU HB2 H 1.741 0.0070 1 1021 98 94 LEU HB3 H 1.111 0.0080 1 1022 98 94 LEU HD1 H 0.835 0.0110 1 1023 98 94 LEU HD2 H 0.834 0.0110 1 1024 98 94 LEU HG H 0.834 0.0180 1 1025 98 94 LEU C C 177.587 0.0447 1 1026 98 94 LEU CA C 58.756 0.0680 1 1027 98 94 LEU CB C 40.436 0.0470 1 1028 98 94 LEU CD1 C 22.452 0.0740 1 1029 98 94 LEU CD2 C 22.455 0.0760 1 1030 98 94 LEU CG C 27.106 0.0447 1 1031 98 94 LEU N N 127.493 0.0220 1 1032 99 95 PHE H H 8.190 0.0050 1 1033 99 95 PHE HA H 3.736 0.0080 1 1034 99 95 PHE HB2 H 2.713 0.0100 1 1035 99 95 PHE HB3 H 1.914 0.0100 1 1036 99 95 PHE HD1 H 6.222 0.0080 3 1037 99 95 PHE HD2 H 6.222 0.0080 3 1038 99 95 PHE HE1 H 6.047 0.0090 3 1039 99 95 PHE HE2 H 6.047 0.0090 3 1040 99 95 PHE HZ H 6.338 0.0080 1 1041 99 95 PHE C C 178.307 0.0447 1 1042 99 95 PHE CA C 56.881 0.0900 1 1043 99 95 PHE CB C 35.373 0.0740 1 1044 99 95 PHE CD1 C 129.133 0.0447 3 1045 99 95 PHE CD2 C 129.133 0.0447 3 1046 99 95 PHE CE1 C 129.826 0.0447 3 1047 99 95 PHE CE2 C 129.826 0.0447 3 1048 99 95 PHE CZ C 127.506 0.0447 1 1049 99 95 PHE N N 119.810 0.0260 1 1050 100 96 ALA H H 8.626 0.0070 1 1051 100 96 ALA HA H 3.775 0.0140 1 1052 100 96 ALA HB H 1.032 0.0070 1 1053 100 96 ALA C C 178.903 0.0447 1 1054 100 96 ALA CA C 55.091 0.0730 1 1055 100 96 ALA CB C 19.557 0.0670 1 1056 100 96 ALA N N 120.269 0.0350 1 1057 101 97 THR H H 7.821 0.0080 1 1058 101 97 THR HA H 4.218 0.0070 1 1059 101 97 THR HB H 3.771 0.0260 1 1060 101 97 THR HG2 H 1.227 0.0170 1 1061 101 97 THR C C 176.306 0.0447 1 1062 101 97 THR CA C 67.227 0.0670 1 1063 101 97 THR CB C 67.721 0.0630 1 1064 101 97 THR CG2 C 22.337 0.0520 1 1065 101 97 THR N N 115.142 0.0210 1 1066 102 98 ILE H H 8.233 0.0050 1 1067 102 98 ILE HA H 3.550 0.0050 1 1068 102 98 ILE HB H 2.055 0.0210 1 1069 102 98 ILE HD1 H 0.861 0.0190 1 1070 102 98 ILE HG2 H 1.150 0.0130 1 1071 102 98 ILE C C 177.258 0.0447 1 1072 102 98 ILE CA C 67.418 0.0390 1 1073 102 98 ILE CB C 37.974 0.1350 1 1074 102 98 ILE CD1 C 13.660 0.0800 1 1075 102 98 ILE CG2 C 16.775 0.0710 1 1076 102 98 ILE N N 123.611 0.0350 1 1077 103 99 GLY H H 8.463 0.0070 1 1078 103 99 GLY HA2 H 4.222 0.0100 1 1079 103 99 GLY HA3 H 3.685 0.0050 1 1080 103 99 GLY C C 175.465 0.0447 1 1081 103 99 GLY CA C 46.862 0.0590 1 1082 103 99 GLY N N 104.365 0.0260 1 1083 104 100 ILE H H 8.846 0.0050 1 1084 104 100 ILE HA H 3.974 0.0070 1 1085 104 100 ILE HB H 2.013 0.0220 1 1086 104 100 ILE HD1 H 0.436 0.0090 1 1087 104 100 ILE HG12 H 1.230 0.0240 1 1088 104 100 ILE HG13 H 1.224 0.0210 1 1089 104 100 ILE HG2 H 1.186 0.0160 1 1090 104 100 ILE C C 177.216 0.0447 1 1091 104 100 ILE CA C 64.139 0.0810 1 1092 104 100 ILE CB C 37.167 0.0720 1 1093 104 100 ILE CD1 C 13.520 0.0470 1 1094 104 100 ILE CG1 C 30.604 0.0200 1 1095 104 100 ILE CG2 C 17.821 0.0300 1 1096 104 100 ILE N N 121.398 0.0220 1 1097 105 101 CYS H H 8.018 0.0090 1 1098 105 101 CYS HA H 3.975 0.0090 1 1099 105 101 CYS HB2 H 3.437 0.0090 1 1100 105 101 CYS HB3 H 2.493 0.0040 1 1101 105 101 CYS C C 176.004 0.0447 1 1102 105 101 CYS CA C 65.440 0.0640 1 1103 105 101 CYS CB C 26.596 0.0620 1 1104 105 101 CYS N N 121.193 0.2340 1 1105 106 102 ALA H H 8.005 0.0080 1 1106 106 102 ALA HA H 3.922 0.0120 1 1107 106 102 ALA HB H 1.579 0.0120 1 1108 106 102 ALA C C 178.321 0.0447 1 1109 106 102 ALA CA C 54.865 0.0690 1 1110 106 102 ALA CB C 18.834 0.0490 1 1111 106 102 ALA N N 121.678 0.0350 1 1112 107 103 LYS H H 8.040 0.0140 1 1113 107 103 LYS HA H 3.950 0.0080 1 1114 107 103 LYS HB2 H 1.950 0.0060 1 1115 107 103 LYS HB3 H 1.946 0.0030 1 1116 107 103 LYS HG2 H 1.675 0.0120 1 1117 107 103 LYS C C 180.363 0.0447 1 1118 107 103 LYS CA C 58.548 0.0180 1 1119 107 103 LYS CB C 31.121 0.0230 1 1120 107 103 LYS N N 115.228 0.0350 1 1121 108 104 ILE H H 8.531 0.0070 1 1122 108 104 ILE HA H 3.318 0.0090 1 1123 108 104 ILE HB H 1.658 0.0140 1 1124 108 104 ILE HD1 H 0.679 0.0130 1 1125 108 104 ILE HG12 H 1.690 0.0170 1 1126 108 104 ILE HG13 H 0.581 0.0210 1 1127 108 104 ILE HG2 H -0.087 0.0060 1 1128 108 104 ILE C C 176.525 0.0447 1 1129 108 104 ILE CA C 65.509 0.2000 1 1130 108 104 ILE CB C 37.471 0.0690 1 1131 108 104 ILE CD1 C 15.442 0.0160 1 1132 108 104 ILE CG1 C 30.247 0.0820 1 1133 108 104 ILE CG2 C 16.975 0.0300 1 1134 108 104 ILE N N 121.821 0.0340 1 1135 109 105 THR H H 8.038 0.0110 1 1136 109 105 THR HA H 3.958 0.0210 1 1137 109 105 THR HB H 4.222 0.0010 1 1138 109 105 THR HG2 H 1.175 0.0110 1 1139 109 105 THR C C 178.953 0.0447 1 1140 109 105 THR CA C 65.734 0.2520 1 1141 109 105 THR CB C 67.875 0.1400 1 1142 109 105 THR CG2 C 23.088 0.0480 1 1143 109 105 THR N N 112.244 0.0370 1 1144 110 106 GLU H H 8.233 0.0060 1 1145 110 106 GLU HA H 3.945 0.0100 1 1146 110 106 GLU HB2 H 2.155 0.0030 1 1147 110 106 GLU HB3 H 2.144 0.0160 1 1148 110 106 GLU HG2 H 2.188 0.0030 1 1149 110 106 GLU HG3 H 2.110 0.0110 1 1150 110 106 GLU C C 177.202 0.0447 1 1151 110 106 GLU CA C 60.191 0.2590 1 1152 110 106 GLU CB C 31.052 0.0280 1 1153 110 106 GLU CG C 37.815 0.0410 1 1154 110 106 GLU N N 125.301 0.0380 1 1155 111 107 HIS H H 7.903 0.0070 1 1156 111 107 HIS HA H 4.447 0.0080 1 1157 111 107 HIS HB2 H 3.353 0.0080 1 1158 111 107 HIS HB3 H 3.090 0.0050 1 1159 111 107 HIS HD2 H 6.654 0.0113 1 1160 111 107 HIS C C 178.808 0.0447 1 1161 111 107 HIS CA C 60.326 0.0580 1 1162 111 107 HIS CB C 29.872 0.0740 1 1163 111 107 HIS N N 120.172 0.0390 1 1164 112 108 TRP H H 8.561 0.0090 1 1165 112 108 TRP HA H 4.449 0.0080 1 1166 112 108 TRP HB2 H 3.390 0.0120 1 1167 112 108 TRP HB3 H 3.209 0.0090 1 1168 112 108 TRP HD1 H 7.101 0.0160 1 1169 112 108 TRP HE1 H 9.959 0.0020 1 1170 112 108 TRP HE3 H 7.321 0.0113 1 1171 112 108 TRP HH2 H 6.952 0.0090 1 1172 112 108 TRP HZ2 H 7.327 0.0070 1 1173 112 108 TRP HZ3 H 6.828 0.0113 1 1174 112 108 TRP C C 178.863 0.0447 1 1175 112 108 TRP CA C 58.632 0.1220 1 1176 112 108 TRP CB C 28.195 0.0620 1 1177 112 108 TRP CD1 C 124.188 0.0447 1 1178 112 108 TRP CE3 C 120.416 0.0447 1 1179 112 108 TRP CH2 C 124.694 0.0447 1 1180 112 108 TRP CZ2 C 114.421 0.0447 1 1181 112 108 TRP CZ3 C 121.601 0.0447 1 1182 112 108 TRP N N 118.661 0.0290 1 1183 112 108 TRP NE1 N 127.252 0.0220 1 1184 113 109 GLY H H 8.196 0.0130 1 1185 113 109 GLY HA2 H 3.812 0.0070 1 1186 113 109 GLY HA3 H 3.476 0.0070 1 1187 113 109 GLY C C 176.664 0.0447 1 1188 113 109 GLY CA C 47.455 0.0670 1 1189 113 109 GLY N N 108.482 0.0320 1 1190 114 110 TYR H H 8.111 0.0060 1 1191 114 110 TYR HA H 4.230 0.0050 1 1192 114 110 TYR HB2 H 3.057 0.0180 1 1193 114 110 TYR HB3 H 3.037 0.0150 1 1194 114 110 TYR HD1 H 7.181 0.0090 3 1195 114 110 TYR HD2 H 7.181 0.0090 3 1196 114 110 TYR HE1 H 6.754 0.0140 3 1197 114 110 TYR HE2 H 6.754 0.0140 3 1198 114 110 TYR C C 177.749 0.0447 1 1199 114 110 TYR CA C 61.386 0.0630 1 1200 114 110 TYR CB C 38.029 0.0340 1 1201 114 110 TYR CD1 C 133.456 0.0447 3 1202 114 110 TYR CD2 C 133.456 0.0447 3 1203 114 110 TYR CE1 C 118.184 0.0447 3 1204 114 110 TYR CE2 C 118.184 0.0447 3 1205 114 110 TYR N N 122.819 0.0270 1 1206 115 111 LYS H H 7.732 0.0080 1 1207 115 111 LYS HA H 4.246 0.0070 1 1208 115 111 LYS HB2 H 2.009 0.0070 1 1209 115 111 LYS HB3 H 1.830 0.0310 1 1210 115 111 LYS HG2 H 1.360 0.0260 1 1211 115 111 LYS HG3 H 1.320 0.0220 1 1212 115 111 LYS C C 175.324 0.0447 1 1213 115 111 LYS CA C 55.991 0.0180 1 1214 115 111 LYS CB C 32.439 0.0970 1 1215 115 111 LYS CG C 24.770 0.0440 1 1216 115 111 LYS N N 118.176 0.0970 1 1217 116 112 LYS H H 7.954 0.0080 1 1218 116 112 LYS HA H 3.814 0.0030 1 1219 116 112 LYS HB2 H 2.027 0.0050 1 1220 116 112 LYS HB3 H 1.866 0.0200 1 1221 116 112 LYS HG2 H 1.335 0.0150 1 1222 116 112 LYS HG3 H 1.316 0.0040 1 1223 116 112 LYS C C 175.681 0.0447 1 1224 116 112 LYS CA C 57.084 0.0490 1 1225 116 112 LYS CB C 29.776 0.2090 1 1226 116 112 LYS CG C 25.091 0.0060 1 1227 116 112 LYS N N 115.495 0.0300 1 1228 117 113 ILE H H 8.026 0.0070 1 1229 117 113 ILE HA H 4.100 0.0050 1 1230 117 113 ILE HB H 1.715 0.0140 1 1231 117 113 ILE HD1 H 0.747 0.0140 1 1232 117 113 ILE HG12 H 1.414 0.0070 1 1233 117 113 ILE HG13 H 1.027 0.0090 1 1234 117 113 ILE HG2 H 0.622 0.0170 1 1235 117 113 ILE C C 175.539 0.0447 1 1236 117 113 ILE CA C 60.831 0.1090 1 1237 117 113 ILE CB C 38.574 0.1130 1 1238 117 113 ILE CD1 C 13.209 0.0840 1 1239 117 113 ILE CG1 C 27.220 0.1090 1 1240 117 113 ILE CG2 C 16.929 0.0510 1 1241 117 113 ILE N N 120.779 0.0380 1 1242 118 114 SER H H 8.245 0.0050 1 1243 118 114 SER HA H 4.763 0.0040 1 1244 118 114 SER HB2 H 3.823 0.0480 1 1245 118 114 SER HB3 H 3.747 0.0010 1 1246 118 114 SER C C 174.365 0.0447 1 1247 118 114 SER CA C 58.128 0.0410 1 1248 118 114 SER CB C 64.236 0.0430 1 1249 118 114 SER N N 119.830 0.0310 1 1250 119 115 GLU H H 7.994 0.0050 1 1251 119 115 GLU C C 176.038 0.0447 1 1252 119 115 GLU CA C 56.391 0.0860 1 1253 119 115 GLU N N 122.453 0.0550 1 1254 120 116 SER H H 8.304 0.0050 1 1255 120 116 SER HA H 4.457 0.0060 1 1256 120 116 SER HB2 H 3.811 0.0040 1 1257 120 116 SER HB3 H 3.808 0.0070 1 1258 120 116 SER C C 174.477 0.0447 1 1259 120 116 SER CA C 58.698 0.0650 1 1260 120 116 SER CB C 64.029 0.1040 1 1261 120 116 SER N N 116.803 0.0350 1 1262 121 117 ARG H H 8.099 0.0070 1 1263 121 117 ARG CA C 56.154 0.0447 1 1264 121 117 ARG N N 121.111 0.0250 1 1265 125 121 LEU C C 176.150 0.0447 1 1266 126 122 GLY H H 7.712 0.0110 1 1267 126 122 GLY HA2 H 4.035 0.0040 1 1268 126 122 GLY HA3 H 3.695 0.0200 1 1269 126 122 GLY C C 172.372 0.0447 1 1270 126 122 GLY CA C 44.897 0.0570 1 1271 126 122 GLY N N 104.771 0.0740 1 1272 127 123 ASN H H 8.748 0.0280 1 1273 127 123 ASN CA C 52.701 0.0447 1 1274 127 123 ASN N N 118.312 0.0860 1 1275 128 124 ILE C C 177.132 0.0447 1 1276 129 125 THR H H 8.027 0.0100 1 1277 129 125 THR HA H 3.782 0.0090 1 1278 129 125 THR HB H 4.219 0.0030 1 1279 129 125 THR HG2 H 1.242 0.0030 1 1280 129 125 THR C C 175.560 0.0447 1 1281 129 125 THR CA C 65.403 0.0610 1 1282 129 125 THR CB C 68.072 0.0840 1 1283 129 125 THR CG2 C 22.240 0.0760 1 1284 129 125 THR N N 114.358 0.0280 1 1285 130 126 ASP H H 7.682 0.0270 1 1286 130 126 ASP HB2 H 3.075 0.0110 1 1287 130 126 ASP HB3 H 3.064 0.0170 1 1288 130 126 ASP C C 176.838 0.0447 1 1289 130 126 ASP CA C 56.218 0.0630 1 1290 130 126 ASP CB C 41.047 0.0330 1 1291 130 126 ASP N N 119.519 0.1230 1 1292 131 127 LEU H H 6.996 0.0180 1 1293 131 127 LEU HA H 4.280 0.0070 1 1294 131 127 LEU HB2 H 1.713 0.0180 1 1295 131 127 LEU HB3 H 1.685 0.0160 1 1296 131 127 LEU HD1 H 0.846 0.0070 1 1297 131 127 LEU HD2 H 0.544 0.0070 1 1298 131 127 LEU HG H 1.427 0.0190 1 1299 131 127 LEU C C 176.889 0.0447 1 1300 131 127 LEU CA C 56.125 0.0710 1 1301 131 127 LEU CB C 42.658 0.1430 1 1302 131 127 LEU CD1 C 23.316 0.1050 1 1303 131 127 LEU CD2 C 25.159 0.0440 1 1304 131 127 LEU CG C 27.267 0.2580 1 1305 131 127 LEU N N 118.069 0.0210 1 1306 132 128 MET H H 7.940 0.0070 1 1307 132 128 MET HA H 4.808 0.0070 1 1308 132 128 MET HB2 H 1.980 0.0250 1 1309 132 128 MET HB3 H 1.729 0.0090 1 1310 132 128 MET HE H 1.717 0.0110 1 1311 132 128 MET HG2 H 2.432 0.0080 1 1312 132 128 MET HG3 H 2.425 0.0220 1 1313 132 128 MET C C 175.383 0.0447 1 1314 132 128 MET CA C 51.493 0.0600 1 1315 132 128 MET CB C 27.764 0.1810 1 1316 132 128 MET CE C 15.960 0.0560 1 1317 132 128 MET CG C 31.170 0.0290 1 1318 132 128 MET N N 117.684 0.0840 1 1319 133 129 THR H H 7.412 0.0110 1 1320 133 129 THR HA H 4.309 0.0080 1 1321 133 129 THR HB H 4.716 0.0090 1 1322 133 129 THR HG2 H 1.326 0.0050 1 1323 133 129 THR C C 174.874 0.0447 1 1324 133 129 THR CA C 60.592 0.0750 1 1325 133 129 THR CB C 70.864 0.0520 1 1326 133 129 THR CG2 C 22.282 0.0700 1 1327 133 129 THR N N 110.890 0.0370 1 1328 134 130 ASP H H 8.939 0.0040 1 1329 134 130 ASP HA H 4.271 0.0140 1 1330 134 130 ASP HB2 H 2.606 0.0100 1 1331 134 130 ASP HB3 H 2.606 0.0090 1 1332 134 130 ASP C C 178.404 0.0447 1 1333 134 130 ASP CA C 58.739 0.0960 1 1334 134 130 ASP CB C 40.428 0.0600 1 1335 134 130 ASP N N 121.017 0.0280 1 1336 135 131 ASP H H 8.346 0.0140 1 1337 135 131 ASP HA H 4.403 0.0120 1 1338 135 131 ASP HB2 H 2.593 0.0070 1 1339 135 131 ASP HB3 H 2.440 0.0030 1 1340 135 131 ASP C C 178.255 0.0447 1 1341 135 131 ASP CA C 57.189 0.1560 1 1342 135 131 ASP CB C 40.549 0.0460 1 1343 135 131 ASP N N 116.432 0.0160 1 1344 136 132 ASN H H 7.526 0.0080 1 1345 136 132 ASN HA H 4.617 0.0030 1 1346 136 132 ASN HB2 H 3.038 0.0140 1 1347 136 132 ASN HB3 H 2.594 0.0270 1 1348 136 132 ASN HD21 H 8.247 0.0140 1 1349 136 132 ASN HD22 H 6.470 0.0050 1 1350 136 132 ASN C C 177.993 0.0447 1 1351 136 132 ASN CA C 55.310 0.0190 1 1352 136 132 ASN CB C 37.158 0.1370 1 1353 136 132 ASN N N 120.964 0.0250 1 1354 136 132 ASN ND2 N 108.709 0.0320 1 1355 137 133 ILE H H 8.963 0.0070 1 1356 137 133 ILE HA H 3.361 0.0040 1 1357 137 133 ILE HB H 1.956 0.0100 1 1358 137 133 ILE HD1 H 0.861 0.0050 1 1359 137 133 ILE HG12 H 1.644 0.0230 1 1360 137 133 ILE HG13 H 0.690 0.0120 1 1361 137 133 ILE HG2 H 0.867 0.0090 1 1362 137 133 ILE C C 177.294 0.0447 1 1363 137 133 ILE CA C 66.802 0.0700 1 1364 137 133 ILE CB C 38.229 0.1630 1 1365 137 133 ILE CD1 C 13.761 0.0780 1 1366 137 133 ILE CG1 C 30.579 0.0410 1 1367 137 133 ILE CG2 C 17.495 0.0550 1 1368 137 133 ILE N N 122.493 0.0250 1 1369 138 134 ASN H H 7.793 0.0070 1 1370 138 134 ASN HA H 4.441 0.0160 1 1371 138 134 ASN HB2 H 2.971 0.0140 1 1372 138 134 ASN HB3 H 2.880 0.0150 1 1373 138 134 ASN HD21 H 7.803 0.0060 1 1374 138 134 ASN HD22 H 6.974 0.0040 1 1375 138 134 ASN C C 177.413 0.0447 1 1376 138 134 ASN CA C 56.424 0.0480 1 1377 138 134 ASN CB C 37.817 0.0740 1 1378 138 134 ASN N N 117.059 0.0470 1 1379 138 134 ASN ND2 N 113.475 0.0440 1 1380 139 135 ILE H H 7.821 0.0130 1 1381 139 135 ILE HA H 3.652 0.0040 1 1382 139 135 ILE HB H 1.886 0.0110 1 1383 139 135 ILE HD1 H 0.691 0.0080 1 1384 139 135 ILE HG12 H 1.904 0.0160 1 1385 139 135 ILE HG13 H 0.981 0.0300 1 1386 139 135 ILE HG2 H 0.703 0.0100 1 1387 139 135 ILE C C 178.971 0.0447 1 1388 139 135 ILE CA C 65.446 0.0520 1 1389 139 135 ILE CB C 38.059 0.0890 1 1390 139 135 ILE CD1 C 12.465 0.0350 1 1391 139 135 ILE CG1 C 29.103 0.0450 1 1392 139 135 ILE CG2 C 17.663 0.0290 1 1393 139 135 ILE N N 118.660 0.1020 1 1394 140 136 LEU H H 7.962 0.0060 1 1395 140 136 LEU HA H 4.309 0.0080 1 1396 140 136 LEU HB2 H 1.991 0.0200 1 1397 140 136 LEU HB3 H 1.622 0.0110 1 1398 140 136 LEU HD1 H 0.976 0.0130 1 1399 140 136 LEU HD2 H 0.857 0.0090 1 1400 140 136 LEU HG H 1.630 0.0100 1 1401 140 136 LEU C C 178.030 0.0447 1 1402 140 136 LEU CA C 58.770 0.0760 1 1403 140 136 LEU CB C 42.438 0.0570 1 1404 140 136 LEU CD1 C 24.704 0.0590 1 1405 140 136 LEU CD2 C 26.974 0.0650 1 1406 140 136 LEU CG C 27.113 0.1060 1 1407 140 136 LEU N N 120.114 0.0320 1 1408 141 137 ILE H H 8.929 0.0120 1 1409 141 137 ILE HA H 3.711 0.0150 1 1410 141 137 ILE HB H 1.886 0.0120 1 1411 141 137 ILE HD1 H 0.864 0.0100 1 1412 141 137 ILE HG12 H 1.672 0.0100 1 1413 141 137 ILE HG13 H 1.212 0.0160 1 1414 141 137 ILE HG2 H 0.990 0.0020 1 1415 141 137 ILE C C 177.081 0.0447 1 1416 141 137 ILE CA C 65.672 0.0460 1 1417 141 137 ILE CB C 37.761 0.0630 1 1418 141 137 ILE CD1 C 13.664 0.0510 1 1419 141 137 ILE CG1 C 29.601 0.0910 1 1420 141 137 ILE CG2 C 17.279 0.0290 1 1421 141 137 ILE N N 119.012 0.0710 1 1422 142 138 LEU H H 8.108 0.0050 1 1423 142 138 LEU HA H 4.111 0.0050 1 1424 142 138 LEU HB2 H 1.875 0.0090 1 1425 142 138 LEU HB3 H 1.561 0.0060 1 1426 142 138 LEU HD1 H 0.913 0.0090 1 1427 142 138 LEU HD2 H 0.906 0.0080 1 1428 142 138 LEU HG H 1.837 0.0060 1 1429 142 138 LEU C C 179.914 0.0447 1 1430 142 138 LEU CA C 58.008 0.0670 1 1431 142 138 LEU CB C 41.826 0.0420 1 1432 142 138 LEU CD1 C 23.426 0.0410 1 1433 142 138 LEU CD2 C 25.039 0.0270 1 1434 142 138 LEU CG C 27.176 0.0970 1 1435 142 138 LEU N N 119.950 0.0490 1 1436 143 139 PHE H H 7.708 0.0130 1 1437 143 139 PHE HA H 4.324 0.0040 1 1438 143 139 PHE HB2 H 3.496 0.0070 1 1439 143 139 PHE HB3 H 3.381 0.0170 1 1440 143 139 PHE HD1 H 7.193 0.0080 3 1441 143 139 PHE HD2 H 7.193 0.0080 3 1442 143 139 PHE HE1 H 7.041 0.0120 3 1443 143 139 PHE HE2 H 7.041 0.0120 3 1444 143 139 PHE C C 177.501 0.0447 1 1445 143 139 PHE CA C 61.497 0.0510 1 1446 143 139 PHE CB C 40.588 0.1030 1 1447 143 139 PHE CD1 C 130.856 0.0447 3 1448 143 139 PHE CD2 C 130.856 0.0447 3 1449 143 139 PHE CE1 C 133.337 0.0447 3 1450 143 139 PHE CE2 C 133.337 0.0447 3 1451 143 139 PHE N N 118.183 0.0450 1 1452 144 140 LEU H H 8.791 0.0100 1 1453 144 140 LEU HA H 3.747 0.0080 1 1454 144 140 LEU HB2 H 1.999 0.0160 1 1455 144 140 LEU HB3 H 1.138 0.0090 1 1456 144 140 LEU HD1 H 0.676 0.0130 1 1457 144 140 LEU HD2 H 0.701 0.0120 1 1458 144 140 LEU HG H 2.089 0.0350 1 1459 144 140 LEU C C 179.072 0.0447 1 1460 144 140 LEU CA C 57.649 0.0880 1 1461 144 140 LEU CB C 42.132 0.0560 1 1462 144 140 LEU CD1 C 25.553 0.0470 1 1463 144 140 LEU CD2 C 21.649 0.0300 1 1464 144 140 LEU CG C 26.731 0.0580 1 1465 144 140 LEU N N 118.407 0.0230 1 1466 145 141 GLU H H 8.911 0.0060 1 1467 145 141 GLU HA H 3.856 0.0140 1 1468 145 141 GLU HB2 H 2.183 0.0090 1 1469 145 141 GLU HB3 H 1.973 0.0070 1 1470 145 141 GLU HG2 H 2.440 0.0060 1 1471 145 141 GLU HG3 H 2.183 0.0090 1 1472 145 141 GLU C C 178.725 0.0447 1 1473 145 141 GLU CA C 59.720 0.0700 1 1474 145 141 GLU CB C 29.574 0.0640 1 1475 145 141 GLU CG C 36.937 0.0850 1 1476 145 141 GLU N N 119.190 0.0330 1 1477 146 142 LYS H H 7.068 0.0090 1 1478 146 142 LYS HA H 4.093 0.0080 1 1479 146 142 LYS HB2 H 1.865 0.0080 1 1480 146 142 LYS HB3 H 1.864 0.0060 1 1481 146 142 LYS HG2 H 1.579 0.0030 1 1482 146 142 LYS HG3 H 1.452 0.0050 1 1483 146 142 LYS C C 178.701 0.0447 1 1484 146 142 LYS CA C 58.032 0.0920 1 1485 146 142 LYS CB C 32.122 0.0730 1 1486 146 142 LYS CG C 24.916 0.0630 1 1487 146 142 LYS N N 116.174 0.1780 1 1488 147 143 LYS H H 7.431 0.0100 1 1489 147 143 LYS HA H 4.054 0.0070 1 1490 147 143 LYS HB2 H 1.542 0.0280 1 1491 147 143 LYS HB3 H 1.541 0.0310 1 1492 147 143 LYS HD2 H 1.341 0.0080 1 1493 147 143 LYS HD3 H 1.340 0.0080 1 1494 147 143 LYS HE2 H 2.823 0.0010 1 1495 147 143 LYS HE3 H 2.655 0.0020 1 1496 147 143 LYS HG2 H 0.877 0.0180 1 1497 147 143 LYS HG3 H 0.873 0.0140 1 1498 147 143 LYS C C 178.113 0.0447 1 1499 147 143 LYS CA C 55.786 0.0720 1 1500 147 143 LYS CB C 32.373 0.1350 1 1501 147 143 LYS CD C 26.944 0.0660 1 1502 147 143 LYS CE C 41.842 0.0620 1 1503 147 143 LYS CG C 22.701 0.0210 1 1504 147 143 LYS N N 115.998 0.0290 1 1505 148 144 LEU H H 7.880 0.0060 1 1506 148 144 LEU HA H 4.441 0.0030 1 1507 148 144 LEU HB2 H 1.667 0.0180 1 1508 148 144 LEU HB3 H 1.665 0.0170 1 1509 148 144 LEU HD1 H 0.663 0.0120 1 1510 148 144 LEU HD2 H 0.665 0.0110 1 1511 148 144 LEU HG H 1.551 0.0060 1 1512 148 144 LEU C C 176.164 0.0447 1 1513 148 144 LEU CA C 54.530 0.0640 1 1514 148 144 LEU CB C 41.775 0.0410 1 1515 148 144 LEU CD1 C 26.790 0.0690 1 1516 148 144 LEU CD2 C 22.543 0.0720 1 1517 148 144 LEU CG C 26.857 0.0580 1 1518 148 144 LEU N N 117.654 0.0350 1 1519 149 145 ASN H H 7.499 0.0140 1 1520 149 145 ASN HA H 4.468 0.0210 1 1521 149 145 ASN HB2 H 2.786 0.0060 1 1522 149 145 ASN HB3 H 2.785 0.0060 1 1523 149 145 ASN HD21 H 7.582 0.0030 1 1524 149 145 ASN HD22 H 6.900 0.0030 1 1525 149 145 ASN CA C 54.981 0.0150 1 1526 149 145 ASN CB C 40.030 0.0720 1 1527 149 145 ASN N N 124.579 0.0210 1 1528 149 145 ASN ND2 N 112.804 0.0180 1 stop_ save_ save_RDC_list_1 _Saveframe_category residual_dipolar_couplings loop_ _Sample_label $K7D8_UN stop_ loop_ _Residual_dipolar_coupling_ID _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name _Residual_dipolar_coupling_value _Software_label _Atom_one_mol_system_component_name _Atom_two_mol_system_component_name _Residual_dipolar_coupling_min_value _Residual_dipolar_coupling_max_value DNH 17 CYS H 17 CYS N -10.870 $NMRView ? ? . . DNH 18 SER H 18 SER N 5.150 $NMRView ? ? . . DNH 20 ASP H 20 ASP N -3.980 $NMRView ? ? . . DNH 21 SER H 21 SER N -9.690 $NMRView ? ? . . DNH 22 ILE H 22 ILE N 8.760 $NMRView ? ? . . DNH 24 ASP H 24 ASP N -4.030 $NMRView ? ? . . DNH 25 LEU H 25 LEU N -8.190 $NMRView ? ? . . DNH 27 ASP H 27 ASP N -6.080 $NMRView ? ? . . DNH 28 GLU H 28 GLU N -3.520 $NMRView ? ? . . DNH 29 TYR H 29 TYR N -5.610 $NMRView ? ? . . DNH 30 ILE H 30 ILE N -4.080 $NMRView ? ? . . DNH 32 TRP H 32 TRP N -2.920 $NMRView ? ? . . DNH 34 ASN H 34 ASN N -6.250 $NMRView ? ? . . DNH 35 HIS H 35 HIS N -4.440 $NMRView ? ? . . DNH 36 VAL H 36 VAL N 0.900 $NMRView ? ? . . DNH 37 ILE H 37 ILE N -2.120 $NMRView ? ? . . DNH 39 PHE H 39 PHE N 1.710 $NMRView ? ? . . DNH 50 TYR H 50 TYR N -6.260 $NMRView ? ? . . DNH 51 LYS H 51 LYS N -11.620 $NMRView ? ? . . DNH 53 LEU H 53 LEU N -6.130 $NMRView ? ? . . DNH 55 LYS H 55 LYS N -12.640 $NMRView ? ? . . DNH 57 ASP H 57 ASP N -8.410 $NMRView ? ? . . DNH 58 ASP H 58 ASP N -11.430 $NMRView ? ? . . DNH 59 VAL H 59 VAL N -3.510 $NMRView ? ? . . DNH 60 ALA H 60 ALA N -5.280 $NMRView ? ? . . DNH 62 ARG H 62 ARG N -11.240 $NMRView ? ? . . DNH 64 TYR H 64 TYR N -6.410 $NMRView ? ? . . DNH 65 GLY H 65 GLY N -11.830 $NMRView ? ? . . DNH 66 ILE H 66 ILE N 13.480 $NMRView ? ? . . DNH 67 ASP H 67 ASP N 12.590 $NMRView ? ? . . DNH 68 LYS H 68 LYS N 9.830 $NMRView ? ? . . DNH 70 ASN H 70 ASN N 12.610 $NMRView ? ? . . DNH 71 GLU H 71 GLU N 13.820 $NMRView ? ? . . DNH 73 VAL H 73 VAL N 12.830 $NMRView ? ? . . DNH 75 ALA H 75 ALA N 13.850 $NMRView ? ? . . DNH 76 MET H 76 MET N 12.880 $NMRView ? ? . . DNH 77 SER H 77 SER N 3.870 $NMRView ? ? . . DNH 79 GLY H 79 GLY N 2.530 $NMRView ? ? . . DNH 91 GLN H 91 GLN N 6.320 $NMRView ? ? . . DNH 92 GLU H 92 GLU N 6.190 $NMRView ? ? . . DNH 93 SER H 93 SER N 2.250 $NMRView ? ? . . DNH 94 LEU H 94 LEU N 7.090 $NMRView ? ? . . DNH 95 PHE H 95 PHE N 11.160 $NMRView ? ? . . DNH 97 THR H 97 THR N 1.260 $NMRView ? ? . . DNH 98 ILE H 98 ILE N 9.080 $NMRView ? ? . . DNH 99 GLY H 99 GLY N 8.310 $NMRView ? ? . . DNH 100 ILE H 100 ILE N 2.040 $NMRView ? ? . . DNH 101 CYS H 101 CYS N 2.240 $NMRView ? ? . . DNH 102 ALA H 102 ALA N 9.390 $NMRView ? ? . . DNH 103 LYS H 103 LYS N 5.410 $NMRView ? ? . . DNH 104 ILE H 104 ILE N 3.460 $NMRView ? ? . . DNH 105 THR H 105 THR N 8.270 $NMRView ? ? . . DNH 106 GLU H 106 GLU N 1.720 $NMRView ? ? . . DNH 108 TRP H 108 TRP N 9.220 $NMRView ? ? . . DNH 109 GLY H 109 GLY N 2.970 $NMRView ? ? . . DNH 110 TYR H 110 TYR N 7.180 $NMRView ? ? . . DNH 130 ASP H 130 ASP N 4.520 $NMRView ? ? . . DNH 131 ASP H 131 ASP N 0.850 $NMRView ? ? . . DNH 132 ASN H 132 ASN N 10.330 $NMRView ? ? . . DNH 133 ILE H 133 ILE N 4.240 $NMRView ? ? . . DNH 134 ASN H 134 ASN N 0.140 $NMRView ? ? . . DNH 136 LEU H 136 LEU N 7.740 $NMRView ? ? . . DNH 137 ILE H 137 ILE N 2.010 $NMRView ? ? . . DNH 138 LEU H 138 LEU N -1.610 $NMRView ? ? . . DNH 139 PHE H 139 PHE N 5.860 $NMRView ? ? . . DNH 140 LEU H 140 LEU N 6.120 $NMRView ? ? . . DNH 141 GLU H 141 GLU N -0.590 $NMRView ? ? . . DNH 142 LYS H 142 LYS N -4.540 $NMRView ? ? . . DNH 143 LYS H 143 LYS N 5.640 $NMRView ? ? . . DNH 144 LEU H 144 LEU N -0.330 $NMRView ? ? . . stop_ _Details '1H-15N J modulated hsqc spectra with an without 12mg/ml phage' _Sample_conditions_label $K7R_CONDITIONS_1 _Spectrometer_frequency_1H 750 _Text_data_format . _Text_data . save_