data_AVS_bmrb_pdb_report_17109 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17109 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 8 THR Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 8 THR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 8 THR . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 9 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 9 GLU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 9 GLU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 10 HIS Anomalous Consistent Suspicious Suspicious Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 10 HIS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 11 LYS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 11 LYS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 11 LYS . . . . . . "C > CG" 1.0000 17109 1 1 1 1 11 LYS . . . . . . "C > CD" 1.0000 17109 1 1 1 1 11 LYS . . . . . . "C > CE" 1.0000 17109 1 1 1 1 12 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 12 GLU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 12 GLU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 13 GLY Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 14 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 14 GLU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 14 GLU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 15 LYS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 15 LYS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 15 LYS . . . . . . "C > CG" 1.0000 17109 1 1 1 1 15 LYS . . . . . . "C > CD" 1.0000 17109 1 1 1 1 16 VAL Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 16 VAL . . . . . . "C > CB" 1.0000 17109 1 1 1 1 16 VAL . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 16 VAL . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 17 ALA Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 0.9996 17109 1 1 1 1 17 ALA . . . . . . "C > CB" 1.0000 17109 1 1 1 1 18 MET Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 18 MET . . . . . . "C > CB" 1.0000 17109 1 1 1 1 18 MET . . . . . . "C > CG" 1.0000 17109 1 1 1 1 19 LEU Anomalous Suspicious Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 19 LEU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 19 LEU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 19 LEU . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 20 ASN Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 20 ASN . . . . . . "C > CB" 1.0000 17109 1 1 1 1 21 ILE Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 21 ILE . . . . . . "C > CB" 1.0000 17109 1 1 1 1 21 ILE . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 21 ILE . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 24 LEU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 24 LEU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 24 LEU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 24 LEU . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 24 LEU . . . . . . "C > CD2" 1.0000 17109 1 1 1 1 25 LYS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 25 LYS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 25 LYS . . . . . . "C > CG" 1.0000 17109 1 1 1 1 25 LYS . . . . . . "C > CD" 1.0000 17109 1 1 1 1 25 LYS . . . . . . "C > CE" 1.0000 17109 1 1 1 1 26 LYS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 26 LYS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 26 LYS . . . . . . "C > CG" 1.0000 17109 1 1 1 1 26 LYS . . . . . . "C > CD" 1.0000 17109 1 1 1 1 26 LYS . . . . . . "C > CE" 1.0000 17109 1 1 1 1 27 LYS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 27 LYS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 27 LYS . . . . . . "C > CG" 1.0000 17109 1 1 1 1 27 LYS . . . . . . "C > CE" 1.0000 17109 1 1 1 1 28 PHE Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 28 PHE . . . . . . "C > CB" 1.0000 17109 1 1 1 1 28 PHE . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 28 PHE . . . . . . "C > CE1" 1.0000 17109 1 1 1 1 29 SER Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 29 SER . . . . . . "C > CB" 1.0000 17109 1 1 1 1 30 ILE Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 30 ILE . . . . . . "C > CB" 1.0000 17109 1 1 1 1 30 ILE . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 30 ILE . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 31 TYR Anomalous Suspicious Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 31 TYR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 31 TYR . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 31 TYR . . . . . . "C > CE1" 1.0000 17109 1 1 1 1 32 TRP Anomalous Suspicious Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 32 TRP . . . . . . "C > CB" 1.0000 17109 1 1 1 1 32 TRP . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 32 TRP . . . . . . "C > CZ2" 1.0000 17109 1 1 1 1 32 TRP . . . . . . "C > CZ3" 1.0000 17109 1 1 1 1 32 TRP . . . . . . "C > CH2" 1.0000 17109 1 1 1 1 33 GLY Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 34 ALA Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 0.9996 17109 1 1 1 1 34 ALA . . . . . . "C > CB" 1.0000 17109 1 1 1 1 35 ASP Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 35 ASP . . . . . . "C > CB" 1.0000 17109 1 1 1 1 36 ASP Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 36 ASP . . . . . . "C > CB" 1.0000 17109 1 1 1 1 37 ALA Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 0.9996 17109 1 1 1 1 43 VAL Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 43 VAL . . . . . . "C > CB" 1.0000 17109 1 1 1 1 44 GLY Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 45 MET Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 45 MET . . . . . . "C > CB" 1.0000 17109 1 1 1 1 45 MET . . . . . . "C > CG" 1.0000 17109 1 1 1 1 46 PHE Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 46 PHE . . . . . . "C > CB" 1.0000 17109 1 1 1 1 46 PHE . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 46 PHE . . . . . . "C > CE1" 1.0000 17109 1 1 1 1 47 VAL Anomalous Consistent Suspicious Suspicious Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 47 VAL . . . . . . "C > CB" 1.0000 17109 1 1 1 1 47 VAL . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 47 VAL . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 48 SER Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 48 SER . . . . . . "C > CB" 1.0000 17109 1 1 1 1 49 ASP Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 49 ASP . . . . . . "C > CB" 1.0000 17109 1 1 1 1 50 VAL Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 50 VAL . . . . . . "C > CB" 1.0000 17109 1 1 1 1 50 VAL . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 50 VAL . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 51 THR Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 51 THR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 51 THR . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 52 THR Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 52 THR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 52 THR . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 53 THR Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 53 THR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 53 THR . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 55 SER Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 55 SER . . . . . . "C > CB" 1.0000 17109 1 1 1 1 56 GLY Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 57 GLY Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 58 GLY Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 59 HIS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 59 HIS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 59 HIS . . . . . . "C > CD2" 1.0000 17109 1 1 1 1 59 HIS . . . . . . "C > CE1" 1.0000 17109 1 1 1 1 60 THR Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 60 THR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 60 THR . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 61 VAL Anomalous Consistent Suspicious Suspicious Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 61 VAL . . . . . . "C > CB" 1.0000 17109 1 1 1 1 61 VAL . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 61 VAL . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 62 LEU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 62 LEU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 62 LEU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 62 LEU . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 62 LEU . . . . . . "C > CD2" 1.0000 17109 1 1 1 1 63 SER Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 63 SER . . . . . . "C > CB" 1.0000 17109 1 1 1 1 64 GLY Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 74 GLY Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 75 GLN Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 75 GLN . . . . . . "C > CB" 1.0000 17109 1 1 1 1 75 GLN . . . . . . "C > CG" 1.0000 17109 1 1 1 1 76 LEU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 76 LEU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 76 LEU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 76 LEU . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 76 LEU . . . . . . "C > CD2" 1.0000 17109 1 1 1 1 77 LYS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 77 LYS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 77 LYS . . . . . . "C > CG" 1.0000 17109 1 1 1 1 77 LYS . . . . . . "C > CD" 1.0000 17109 1 1 1 1 77 LYS . . . . . . "C > CE" 1.0000 17109 1 1 1 1 78 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 78 GLU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 78 GLU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 79 LYS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 79 LYS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 79 LYS . . . . . . "C > CG" 1.0000 17109 1 1 1 1 79 LYS . . . . . . "C > CD" 1.0000 17109 1 1 1 1 79 LYS . . . . . . "C > CE" 1.0000 17109 1 1 1 1 80 ASP Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 80 ASP . . . . . . "C > CB" 1.0000 17109 1 1 1 1 81 THR Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 81 THR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 81 THR . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 82 LEU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 82 LEU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 82 LEU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 82 LEU . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 83 VAL Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 83 VAL . . . . . . "C > CB" 1.0000 17109 1 1 1 1 83 VAL . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 84 LEU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 84 LEU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 84 LEU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 84 LEU . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 84 LEU . . . . . . "C > CD2" 1.0000 17109 1 1 1 1 85 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 85 GLU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 85 GLU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 87 ASP Anomalous Consistent Suspicious Suspicious Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 87 ASP . . . . . . "C > CB" 1.0000 17109 1 1 1 1 88 ASN Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 88 ASN . . . . . . "C > CB" 1.0000 17109 1 1 1 1 89 LYS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 89 LYS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 89 LYS . . . . . . "C > CG" 1.0000 17109 1 1 1 1 89 LYS . . . . . . "C > CD" 1.0000 17109 1 1 1 1 89 LYS . . . . . . "C > CE" 1.0000 17109 1 1 1 1 90 THR Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 90 THR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 90 THR . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 91 TYR Anomalous Suspicious Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 91 TYR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 91 TYR . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 91 TYR . . . . . . "C > CE1" 1.0000 17109 1 1 1 1 92 THR Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 92 THR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 92 THR . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 93 TYR Anomalous Suspicious Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 93 TYR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 93 TYR . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 93 TYR . . . . . . "C > CE1" 1.0000 17109 1 1 1 1 94 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 94 GLU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 94 GLU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 95 ILE Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 95 ILE . . . . . . "C > CB" 1.0000 17109 1 1 1 1 95 ILE . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 95 ILE . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 96 GLN Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 96 GLN . . . . . . "C > CB" 1.0000 17109 1 1 1 1 96 GLN . . . . . . "C > CG" 1.0000 17109 1 1 1 1 97 LYS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 97 LYS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 97 LYS . . . . . . "C > CG" 1.0000 17109 1 1 1 1 98 ILE Anomalous Suspicious Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 98 ILE . . . . . . "C > CB" 1.0000 17109 1 1 1 1 98 ILE . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 98 ILE . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 98 ILE . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 99 TRP Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 99 TRP . . . . . . "C > CB" 1.0000 17109 1 1 1 1 99 TRP . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 100 ILE Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 100 ILE . . . . . . "C > CB" 1.0000 17109 1 1 1 1 100 ILE . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 100 ILE . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 101 THR Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 101 THR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 101 THR . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 102 HIS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 102 HIS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 103 ALA Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 0.9996 17109 1 1 1 1 103 ALA . . . . . . "C > CB" 1.0000 17109 1 1 1 1 104 ASP Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 104 ASP . . . . . . "C > CB" 1.0000 17109 1 1 1 1 105 ASP Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 105 ASP . . . . . . "C > CB" 1.0000 17109 1 1 1 1 106 ARG Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 106 ARG . . . . . . "C > CB" 1.0000 17109 1 1 1 1 106 ARG . . . . . . "C > CG" 1.0000 17109 1 1 1 1 106 ARG . . . . . . "C > CD" 1.0000 17109 1 1 1 1 107 THR Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 107 THR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 107 THR . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 108 VAL Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 108 VAL . . . . . . "C > CB" 1.0000 17109 1 1 1 1 108 VAL . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 108 VAL . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 109 ILE Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 109 ILE . . . . . . "C > CB" 1.0000 17109 1 1 1 1 109 ILE . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 109 ILE . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 110 ILE Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 110 ILE . . . . . . "C > CB" 1.0000 17109 1 1 1 1 110 ILE . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 110 ILE . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 111 LYS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 111 LYS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 111 LYS . . . . . . "C > CG" 1.0000 17109 1 1 1 1 111 LYS . . . . . . "C > CD" 1.0000 17109 1 1 1 1 111 LYS . . . . . . "C > CE" 1.0000 17109 1 1 1 1 112 LYS Anomalous Consistent Suspicious Suspicious Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 112 LYS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 112 LYS . . . . . . "C > CG" 1.0000 17109 1 1 1 1 112 LYS . . . . . . "C > CD" 1.0000 17109 1 1 1 1 112 LYS . . . . . . "C > CE" 1.0000 17109 1 1 1 1 113 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 113 GLU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 113 GLU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 114 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 114 GLU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 114 GLU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 116 ILE Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 116 ILE . . . . . . "C > CB" 1.0000 17109 1 1 1 1 116 ILE . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 116 ILE . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 117 LEU Anomalous Consistent Suspicious Suspicious Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 117 LEU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 117 LEU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 117 LEU . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 118 THR Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 118 THR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 118 THR . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 119 LEU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 119 LEU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 119 LEU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 119 LEU . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 119 LEU . . . . . . "C > CD2" 1.0000 17109 1 1 1 1 120 THR Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 120 THR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 120 THR . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 121 THR Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 121 THR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 121 THR . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 125 PHE Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 125 PHE . . . . . . "C > CB" 1.0000 17109 1 1 1 1 125 PHE . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 125 PHE . . . . . . "C > CE1" 1.0000 17109 1 1 1 1 126 ASP Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 126 ASP . . . . . . "C > CB" 1.0000 17109 1 1 1 1 127 TYR Anomalous Suspicious Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 127 TYR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 127 TYR . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 127 TYR . . . . . . "C > CE1" 1.0000 17109 1 1 1 1 128 ILE Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 128 ILE . . . . . . "C > CB" 1.0000 17109 1 1 1 1 128 ILE . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 128 ILE . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 129 GLY Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 130 ASP Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 130 ASP . . . . . . "C > CB" 1.0000 17109 1 1 1 1 131 ALA Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 0.9996 17109 1 1 1 1 131 ALA . . . . . . "C > CB" 1.0000 17109 1 1 1 1 133 ASP Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 133 ASP . . . . . . "C > CB" 1.0000 17109 1 1 1 1 134 ARG Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 134 ARG . . . . . . "C > CB" 1.0000 17109 1 1 1 1 136 ILE Anomalous Consistent Suspicious Suspicious Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 136 ILE . . . . . . "C > CB" 1.0000 17109 1 1 1 1 136 ILE . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 137 ILE Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 137 ILE . . . . . . "C > CB" 1.0000 17109 1 1 1 1 137 ILE . . . . . . "C > CG1" 1.0000 17109 1 1 1 1 137 ILE . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 138 GLU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 138 GLU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 138 GLU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 139 ALA Anomalous Consistent Suspicious Suspicious Anomalous Consistent "C > CA" 0.9996 17109 1 1 1 1 139 ALA . . . . . . "C > CB" 1.0000 17109 1 1 1 1 140 LYS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 140 LYS . . . . . . "C > CB" 1.0000 17109 1 1 1 1 140 LYS . . . . . . "C > CG" 1.0000 17109 1 1 1 1 140 LYS . . . . . . "C > CD" 1.0000 17109 1 1 1 1 140 LYS . . . . . . "C > CE" 1.0000 17109 1 1 1 1 141 LEU Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 141 LEU . . . . . . "C > CB" 1.0000 17109 1 1 1 1 141 LEU . . . . . . "C > CG" 1.0000 17109 1 1 1 1 141 LEU . . . . . . "C > CD1" 1.0000 17109 1 1 1 1 141 LEU . . . . . . "C > CD2" 1.0000 17109 1 1 1 1 142 THR Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 142 THR . . . . . . "C > CB" 1.0000 17109 1 1 1 1 142 THR . . . . . . "C > CG2" 1.0000 17109 1 1 1 1 143 GLY Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 144 SER Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 144 SER . . . . . . "C > CB" 1.0000 17109 1 1 1 1 147 LYS Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 17109 1 1 1 1 147 LYS . . . . . . "C > CB" 1.0000 17109 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 8 THR C 13.961 A 174.54 1.76 0.0000e+00 17109 1 1 1 1 8 THR CA 61.486 . 62.22 2.59 7.7687e-01 17109 1 1 1 1 8 THR CB 69.316 . 69.73 1.63 7.9950e-01 17109 1 1 1 1 8 THR CG2 21.288 . 21.55 1.11 8.1340e-01 17109 1 1 1 1 8 THR H 8.027 . 8.24 0.62 7.3119e-01 17109 1 1 1 1 8 THR HA 4.189 . 4.46 0.48 5.7236e-01 17109 1 1 1 1 8 THR HB 4.011 . 4.17 0.33 6.2993e-01 17109 1 1 1 1 8 THR HG21 0.988 . 1.14 0.23 5.0870e-01 17109 1 1 1 1 8 THR HG22 0.988 . 1.14 0.23 5.0870e-01 17109 1 1 1 1 8 THR HG23 0.988 . 1.14 0.23 5.0870e-01 17109 1 1 1 1 8 THR N 115.175 . 115.42 4.75 9.5886e-01 17109 1 1 1 1 9 GLU C 15.555 A 176.87 1.95 0.0000e+00 17109 1 1 1 1 9 GLU CA 55.868 . 57.32 2.09 4.8722e-01 17109 1 1 1 1 9 GLU CB 29.611 . 30.01 1.72 8.1656e-01 17109 1 1 1 1 9 GLU CG 35.772 . 36.11 1.19 7.7638e-01 17109 1 1 1 1 9 GLU H 8.233 . 8.33 0.59 8.6941e-01 17109 1 1 1 1 9 GLU HA 4.060 . 4.25 0.41 6.4307e-01 17109 1 1 1 1 9 GLU HB2 1.777 . 2.02 0.21 2.4721e-01 17109 1 1 1 1 9 GLU HB3 1.652 . 1.99 0.23 1.4168e-01 17109 1 1 1 1 9 GLU HG2 2.040 . 2.27 0.21 2.7341e-01 17109 1 1 1 1 9 GLU HG3 1.959 . 2.25 0.22 1.8593e-01 17109 1 1 1 1 9 GLU N 123.496 . 120.67 3.48 4.1675e-01 17109 1 1 1 1 10 HIS C 13.742 A 175.25 1.97 0.0000e+00 17109 1 1 1 1 10 HIS CA 53.932 . 56.52 2.31 2.6257e-01 17109 1 1 1 1 10 HIS CB 28.922 . 30.24 2.07 5.2431e-01 17109 1 1 1 1 10 HIS H 7.369 . 8.24 0.68 2.0023e-01 17109 1 1 1 1 10 HIS HA 4.413 . 4.61 0.43 6.4685e-01 17109 1 1 1 1 10 HIS HB2 1.948 . 3.1 0.36 1.3743e-03 17109 1 1 1 1 10 HIS HB3 0.868 S 3.04 0.38 1.0920e-08 17109 1 1 1 1 10 HIS N 119.084 . 119.69 4 8.7958e-01 17109 1 1 1 1 11 LYS C 16.210 A 176.64 2 0.0000e+00 17109 1 1 1 1 11 LYS CA 54.245 . 56.95 2.2 2.1887e-01 17109 1 1 1 1 11 LYS CB 33.548 . 32.79 1.78 6.7022e-01 17109 1 1 1 1 11 LYS CG 24.707 . 24.89 1.13 8.7135e-01 17109 1 1 1 1 11 LYS CD 28.945 . 28.96 1.08 9.8892e-01 17109 1 1 1 1 11 LYS CE 41.718 . 41.89 0.82 8.3386e-01 17109 1 1 1 1 11 LYS H 8.409 . 8.19 0.6 7.1511e-01 17109 1 1 1 1 11 LYS HA 4.469 . 4.27 0.44 6.5107e-01 17109 1 1 1 1 11 LYS HB2 1.793 . 1.78 0.25 9.5853e-01 17109 1 1 1 1 11 LYS HB3 1.607 . 1.74 0.27 6.2230e-01 17109 1 1 1 1 11 LYS HG2 1.356 . 1.37 0.26 9.5706e-01 17109 1 1 1 1 11 LYS HD2 1.660 . 1.61 0.22 8.2021e-01 17109 1 1 1 1 11 LYS HE2 2.945 . 2.92 0.19 8.9532e-01 17109 1 1 1 1 11 LYS N 121.509 . 121.05 3.77 9.0310e-01 17109 1 1 1 1 12 GLU C 18.023 A 176.87 1.95 0.0000e+00 17109 1 1 1 1 12 GLU CA 58.350 . 57.32 2.09 6.2214e-01 17109 1 1 1 1 12 GLU CB 29.254 . 30.01 1.72 6.6027e-01 17109 1 1 1 1 12 GLU CG 36.392 . 36.11 1.19 8.1268e-01 17109 1 1 1 1 12 GLU H 8.926 . 8.33 0.59 3.1241e-01 17109 1 1 1 1 12 GLU HA 4.240 . 4.25 0.41 9.8054e-01 17109 1 1 1 1 12 GLU HB2 2.069 . 2.02 0.21 8.1550e-01 17109 1 1 1 1 12 GLU HB3 2.018 . 1.99 0.23 9.0311e-01 17109 1 1 1 1 12 GLU HG2 2.384 . 2.27 0.21 5.8723e-01 17109 1 1 1 1 12 GLU HG3 2.299 . 2.25 0.22 8.2375e-01 17109 1 1 1 1 12 GLU N 122.841 . 120.67 3.48 5.3273e-01 17109 1 1 1 1 13 GLY C 14.141 A 173.87 1.88 0.0000e+00 17109 1 1 1 1 13 GLY CA 45.243 . 45.35 1.34 9.3636e-01 17109 1 1 1 1 13 GLY H 9.725 . 8.33 0.65 3.1861e-02 17109 1 1 1 1 13 GLY HA2 4.354 . 3.97 0.37 2.9935e-01 17109 1 1 1 1 13 GLY HA3 3.741 . 3.9 0.37 6.6739e-01 17109 1 1 1 1 13 GLY N 113.215 . 109.67 3.87 3.5966e-01 17109 1 1 1 1 14 GLU C 16.436 A 176.87 1.95 0.0000e+00 17109 1 1 1 1 14 GLU CA 55.641 . 57.32 2.09 4.2177e-01 17109 1 1 1 1 14 GLU CB 30.989 . 30.01 1.72 5.6923e-01 17109 1 1 1 1 14 GLU CG 36.432 . 36.11 1.19 7.8671e-01 17109 1 1 1 1 14 GLU H 8.294 . 8.33 0.59 9.5135e-01 17109 1 1 1 1 14 GLU HA 4.499 . 4.25 0.41 5.4364e-01 17109 1 1 1 1 14 GLU HB2 2.236 . 2.02 0.21 3.0368e-01 17109 1 1 1 1 14 GLU HB3 2.026 . 1.99 0.23 8.7562e-01 17109 1 1 1 1 14 GLU HG2 2.286 . 2.27 0.21 9.3927e-01 17109 1 1 1 1 14 GLU N 120.782 . 120.67 3.48 9.7433e-01 17109 1 1 1 1 15 LYS C 16.970 A 176.64 2 0.0000e+00 17109 1 1 1 1 15 LYS CA 57.098 . 56.95 2.2 9.4636e-01 17109 1 1 1 1 15 LYS CB 31.680 . 32.79 1.78 5.3289e-01 17109 1 1 1 1 15 LYS CG 24.834 . 24.89 1.13 9.6048e-01 17109 1 1 1 1 15 LYS CD 29.577 . 28.96 1.08 5.6780e-01 17109 1 1 1 1 15 LYS H 8.978 . 8.19 0.6 1.8907e-01 17109 1 1 1 1 15 LYS HA 4.100 . 4.27 0.44 6.9923e-01 17109 1 1 1 1 15 LYS HB2 1.815 . 1.78 0.25 8.8866e-01 17109 1 1 1 1 15 LYS HB3 1.654 . 1.74 0.27 7.5009e-01 17109 1 1 1 1 15 LYS HG2 1.097 . 1.37 0.26 2.9372e-01 17109 1 1 1 1 15 LYS HD2 1.625 . 1.61 0.22 9.4564e-01 17109 1 1 1 1 15 LYS HD3 1.575 . 1.6 0.22 9.0953e-01 17109 1 1 1 1 15 LYS HE2 2.871 . 2.92 0.19 7.9649e-01 17109 1 1 1 1 15 LYS N 124.913 . 121.05 3.77 3.0552e-01 17109 1 1 1 1 16 VAL C 14.148 A 175.62 1.9 0.0000e+00 17109 1 1 1 1 16 VAL CA 60.141 . 62.49 2.86 4.1146e-01 17109 1 1 1 1 16 VAL CB 34.881 . 32.73 1.79 2.2949e-01 17109 1 1 1 1 16 VAL CG1 17.463 . 21.49 1.36 3.0661e-03 17109 1 1 1 1 16 VAL CG2 21.019 . 21.26 1.56 8.7723e-01 17109 1 1 1 1 16 VAL H 8.976 . 8.29 0.67 3.0589e-01 17109 1 1 1 1 16 VAL HA 4.572 . 4.19 0.58 5.1014e-01 17109 1 1 1 1 16 VAL HB 2.030 . 1.98 0.32 8.7584e-01 17109 1 1 1 1 16 VAL HG11 0.754 . 0.83 0.26 7.7005e-01 17109 1 1 1 1 16 VAL HG12 0.754 . 0.83 0.26 7.7005e-01 17109 1 1 1 1 16 VAL HG13 0.754 . 0.83 0.26 7.7005e-01 17109 1 1 1 1 16 VAL HG21 0.544 . 0.8 0.28 3.6057e-01 17109 1 1 1 1 16 VAL HG22 0.544 . 0.8 0.28 3.6057e-01 17109 1 1 1 1 16 VAL HG23 0.544 . 0.8 0.28 3.6057e-01 17109 1 1 1 1 16 VAL N 119.007 . 121.14 4.54 6.3848e-01 17109 1 1 1 1 17 ALA C 14.664 A 177.74 2.13 0.0000e+00 17109 1 1 1 1 17 ALA CA 51.098 . 53.14 1.98 3.0239e-01 17109 1 1 1 1 17 ALA CB 22.853 . 19.01 1.83 3.5729e-02 17109 1 1 1 1 17 ALA H 8.023 . 8.2 0.6 7.6799e-01 17109 1 1 1 1 17 ALA HA 5.186 . 4.26 0.44 3.5331e-02 17109 1 1 1 1 17 ALA HB1 1.494 . 1.35 0.26 5.7968e-01 17109 1 1 1 1 17 ALA HB2 1.494 . 1.35 0.26 5.7968e-01 17109 1 1 1 1 17 ALA HB3 1.494 . 1.35 0.26 5.7968e-01 17109 1 1 1 1 17 ALA N 121.167 . 123.23 3.54 5.6005e-01 17109 1 1 1 1 18 MET C 14.413 A 176.18 2.09 0.0000e+00 17109 1 1 1 1 18 MET CA 53.607 . 56.11 2.23 2.6168e-01 17109 1 1 1 1 18 MET CB 35.038 . 32.99 2.24 3.6057e-01 17109 1 1 1 1 18 MET CG 31.194 . 32.01 1.24 5.1050e-01 17109 1 1 1 1 18 MET H 8.150 . 8.26 0.6 8.5454e-01 17109 1 1 1 1 18 MET HA 5.303 . 4.41 0.48 6.2827e-02 17109 1 1 1 1 18 MET HB2 1.938 . 2.03 0.34 7.8671e-01 17109 1 1 1 1 18 MET HG2 2.509 . 2.42 0.35 7.9927e-01 17109 1 1 1 1 18 MET HG3 2.438 . 2.39 0.38 8.9948e-01 17109 1 1 1 1 18 MET N 116.475 . 120.09 3.57 3.1125e-01 17109 1 1 1 1 19 LEU C 13.617 A 176.99 1.98 0.0000e+00 17109 1 1 1 1 19 LEU CA 52.851 . 55.62 2.13 1.9360e-01 17109 1 1 1 1 19 LEU CB 44.705 . 42.31 1.88 2.0269e-01 17109 1 1 1 1 19 LEU CG 27.247 . 26.78 1.1 6.7117e-01 17109 1 1 1 1 19 LEU CD1 17.575 S 24.72 1.59 6.9993e-06 17109 1 1 1 1 19 LEU H 9.377 . 8.23 0.65 7.7629e-02 17109 1 1 1 1 19 LEU HA 5.268 . 4.32 0.47 4.3693e-02 17109 1 1 1 1 19 LEU HB2 2.045 . 1.61 0.34 2.0075e-01 17109 1 1 1 1 19 LEU HB3 1.282 . 1.52 0.36 5.0854e-01 17109 1 1 1 1 19 LEU HG 1.521 . 1.51 0.33 9.7341e-01 17109 1 1 1 1 19 LEU HD11 0.743 . 0.75 0.28 9.8006e-01 17109 1 1 1 1 19 LEU HD12 0.743 . 0.75 0.28 9.8006e-01 17109 1 1 1 1 19 LEU HD13 0.743 . 0.75 0.28 9.8006e-01 17109 1 1 1 1 19 LEU N 126.244 . 121.86 3.9 2.6097e-01 17109 1 1 1 1 20 ASN C 14.316 A 175.27 1.79 0.0000e+00 17109 1 1 1 1 20 ASN CA 51.344 . 53.54 1.88 2.4277e-01 17109 1 1 1 1 20 ASN CB 40.972 . 38.69 1.69 1.7692e-01 17109 1 1 1 1 20 ASN H 10.032 . 8.34 0.63 7.2375e-03 17109 1 1 1 1 20 ASN HA 5.340 . 4.67 0.36 6.2729e-02 17109 1 1 1 1 20 ASN HB2 2.750 . 2.81 0.31 8.4653e-01 17109 1 1 1 1 20 ASN HB3 2.656 . 2.75 0.33 7.7576e-01 17109 1 1 1 1 20 ASN N 126.410 . 118.93 4.03 6.3442e-02 17109 1 1 1 1 21 ILE C 14.409 A 175.85 1.92 0.0000e+00 17109 1 1 1 1 21 ILE CA 58.243 . 61.61 2.68 2.0899e-01 17109 1 1 1 1 21 ILE CB 37.477 . 38.63 2.02 5.6814e-01 17109 1 1 1 1 21 ILE CG1 26.182 . 27.71 1.68 3.6307e-01 17109 1 1 1 1 21 ILE CG2 19.799 . 17.53 1.36 9.5240e-02 17109 1 1 1 1 21 ILE CD1 13.654 . 13.43 1.67 8.9330e-01 17109 1 1 1 1 21 ILE H 8.603 . 8.28 0.68 6.3479e-01 17109 1 1 1 1 21 ILE HA 4.829 . 4.18 0.56 2.4649e-01 17109 1 1 1 1 21 ILE HB 2.066 . 1.78 0.29 3.2403e-01 17109 1 1 1 1 21 ILE HG12 1.695 . 1.28 0.4 2.9950e-01 17109 1 1 1 1 21 ILE HG21 0.988 . 0.77 0.27 4.1943e-01 17109 1 1 1 1 21 ILE HG22 0.988 . 0.77 0.27 4.1943e-01 17109 1 1 1 1 21 ILE HG23 0.988 . 0.77 0.27 4.1943e-01 17109 1 1 1 1 21 ILE HD11 0.799 . 0.68 0.29 6.8155e-01 17109 1 1 1 1 21 ILE HD12 0.799 . 0.68 0.29 6.8155e-01 17109 1 1 1 1 21 ILE HD13 0.799 . 0.68 0.29 6.8155e-01 17109 1 1 1 1 21 ILE N 123.597 . 121.46 4.28 6.1757e-01 17109 1 1 1 1 24 LEU C 15.562 A 176.99 1.98 0.0000e+00 17109 1 1 1 1 24 LEU CA 52.965 . 55.62 2.13 2.1259e-01 17109 1 1 1 1 24 LEU CB 42.473 . 42.31 1.88 9.3091e-01 17109 1 1 1 1 24 LEU CG 27.081 . 26.78 1.1 7.8436e-01 17109 1 1 1 1 24 LEU CD1 25.197 . 24.72 1.59 7.6418e-01 17109 1 1 1 1 24 LEU CD2 21.435 . 24.05 1.7 1.2399e-01 17109 1 1 1 1 24 LEU H 6.919 . 8.23 0.65 4.3704e-02 17109 1 1 1 1 24 LEU HA 4.319 . 4.32 0.47 9.9830e-01 17109 1 1 1 1 24 LEU HB2 1.677 . 1.61 0.34 8.4378e-01 17109 1 1 1 1 24 LEU HB3 1.439 . 1.52 0.36 8.2198e-01 17109 1 1 1 1 24 LEU HG 1.456 . 1.51 0.33 8.7002e-01 17109 1 1 1 1 24 LEU HD11 0.789 . 0.75 0.28 8.8922e-01 17109 1 1 1 1 24 LEU HD12 0.789 . 0.75 0.28 8.8922e-01 17109 1 1 1 1 24 LEU HD13 0.789 . 0.75 0.28 8.8922e-01 17109 1 1 1 1 24 LEU HD21 0.714 . 0.73 0.29 9.5600e-01 17109 1 1 1 1 24 LEU HD22 0.714 . 0.73 0.29 9.5600e-01 17109 1 1 1 1 24 LEU HD23 0.714 . 0.73 0.29 9.5600e-01 17109 1 1 1 1 24 LEU N 111.810 . 121.86 3.9 9.9684e-03 17109 1 1 1 1 25 LYS C 15.297 A 176.64 2 0.0000e+00 17109 1 1 1 1 25 LYS CA 56.598 . 56.95 2.2 8.7288e-01 17109 1 1 1 1 25 LYS CB 28.918 . 32.79 1.78 2.9609e-02 17109 1 1 1 1 25 LYS CG 24.761 . 24.89 1.13 9.0911e-01 17109 1 1 1 1 25 LYS CD 29.055 . 28.96 1.08 9.2991e-01 17109 1 1 1 1 25 LYS CE 41.719 . 41.89 0.82 8.3481e-01 17109 1 1 1 1 25 LYS H 7.921 . 8.19 0.6 6.5391e-01 17109 1 1 1 1 25 LYS HA 3.849 . 4.27 0.44 3.3866e-01 17109 1 1 1 1 25 LYS HB2 1.972 . 1.78 0.25 4.4249e-01 17109 1 1 1 1 25 LYS HB3 1.816 . 1.74 0.27 7.7834e-01 17109 1 1 1 1 25 LYS HG2 1.333 . 1.37 0.26 8.8684e-01 17109 1 1 1 1 25 LYS HD2 1.675 . 1.61 0.22 7.6765e-01 17109 1 1 1 1 25 LYS HE2 2.940 . 2.92 0.19 9.1617e-01 17109 1 1 1 1 25 LYS N 115.814 . 121.05 3.77 1.6488e-01 17109 1 1 1 1 26 LYS C 13.961 A 176.64 2 0.0000e+00 17109 1 1 1 1 26 LYS CA 53.788 . 56.95 2.2 1.5064e-01 17109 1 1 1 1 26 LYS CB 37.483 . 32.79 1.78 8.3762e-03 17109 1 1 1 1 26 LYS CG 24.611 . 24.89 1.13 8.0498e-01 17109 1 1 1 1 26 LYS CD 28.695 . 28.96 1.08 8.0617e-01 17109 1 1 1 1 26 LYS CE 41.527 . 41.89 0.82 6.5799e-01 17109 1 1 1 1 26 LYS H 6.765 . 8.19 0.6 1.7549e-02 17109 1 1 1 1 26 LYS HA 4.559 . 4.27 0.44 5.1130e-01 17109 1 1 1 1 26 LYS HB2 1.380 . 1.78 0.25 1.0960e-01 17109 1 1 1 1 26 LYS HB3 1.301 . 1.74 0.27 1.0397e-01 17109 1 1 1 1 26 LYS HG2 1.149 . 1.37 0.26 3.9533e-01 17109 1 1 1 1 26 LYS HD2 1.487 . 1.61 0.22 5.7610e-01 17109 1 1 1 1 26 LYS HE2 2.866 . 2.92 0.19 7.7625e-01 17109 1 1 1 1 26 LYS N 115.145 . 121.05 3.77 1.1728e-01 17109 1 1 1 1 27 LYS C 15.482 A 176.64 2 0.0000e+00 17109 1 1 1 1 27 LYS CA 53.883 . 56.95 2.2 1.6329e-01 17109 1 1 1 1 27 LYS CB 35.855 . 32.79 1.78 8.5086e-02 17109 1 1 1 1 27 LYS CG 24.552 . 24.89 1.13 7.6485e-01 17109 1 1 1 1 27 LYS CE 41.348 . 41.89 0.82 5.0863e-01 17109 1 1 1 1 27 LYS H 7.857 . 8.19 0.6 5.7889e-01 17109 1 1 1 1 27 LYS HA 5.452 . 4.27 0.44 7.2234e-03 17109 1 1 1 1 27 LYS HB2 1.628 . 1.78 0.25 5.4319e-01 17109 1 1 1 1 27 LYS HB3 1.473 . 1.74 0.27 3.2272e-01 17109 1 1 1 1 27 LYS HG2 1.198 . 1.37 0.26 5.0827e-01 17109 1 1 1 1 27 LYS HE2 2.739 . 2.92 0.19 3.4078e-01 17109 1 1 1 1 27 LYS N 119.566 . 121.05 3.77 6.9385e-01 17109 1 1 1 1 28 PHE C 15.477 A 175.42 1.99 0.0000e+00 17109 1 1 1 1 28 PHE CA 56.100 . 58.08 2.57 4.4105e-01 17109 1 1 1 1 28 PHE CB 42.734 . 39.99 2.09 1.8921e-01 17109 1 1 1 1 28 PHE CD1 132.113 . 131.58 1.18 6.5149e-01 17109 1 1 1 1 28 PHE CE1 131.884 . 130.71 1.3 3.6649e-01 17109 1 1 1 1 28 PHE H 9.397 . 8.36 0.72 1.4979e-01 17109 1 1 1 1 28 PHE HA 4.871 . 4.63 0.57 6.7244e-01 17109 1 1 1 1 28 PHE HB2 3.176 . 3 0.37 6.3431e-01 17109 1 1 1 1 28 PHE HB3 2.700 . 2.93 0.4 5.6529e-01 17109 1 1 1 1 28 PHE HD1 7.130 . 7.06 0.31 8.2135e-01 17109 1 1 1 1 28 PHE HD2 7.130 . 7.06 0.31 8.2135e-01 17109 1 1 1 1 28 PHE HE1 7.132 . 7.08 0.31 8.6679e-01 17109 1 1 1 1 28 PHE HE2 7.132 . 7.08 0.32 8.7091e-01 17109 1 1 1 1 28 PHE N 118.909 . 120.45 4.18 7.1238e-01 17109 1 1 1 1 29 SER C 12.010 A 174.62 1.72 0.0000e+00 17109 1 1 1 1 29 SER CA 59.961 . 58.72 2.07 5.4883e-01 17109 1 1 1 1 29 SER CB 64.433 . 63.8 1.48 6.6887e-01 17109 1 1 1 1 29 SER H 9.010 . 8.28 0.59 2.1598e-01 17109 1 1 1 1 29 SER HA 4.848 . 4.48 0.4 3.5757e-01 17109 1 1 1 1 29 SER HB2 3.939 . 3.88 0.25 8.1343e-01 17109 1 1 1 1 29 SER HB3 3.347 . 3.85 0.27 6.2468e-02 17109 1 1 1 1 29 SER N 121.189 . 116.28 3.52 1.6314e-01 17109 1 1 1 1 30 ILE C 14.874 A 175.85 1.92 0.0000e+00 17109 1 1 1 1 30 ILE CA 57.775 . 61.61 2.68 1.5244e-01 17109 1 1 1 1 30 ILE CB 38.001 . 38.63 2.02 7.5551e-01 17109 1 1 1 1 30 ILE CG1 25.832 . 27.71 1.68 2.6363e-01 17109 1 1 1 1 30 ILE CG2 19.059 . 17.53 1.36 2.6090e-01 17109 1 1 1 1 30 ILE CD1 14.013 . 13.43 1.67 7.2701e-01 17109 1 1 1 1 30 ILE H 8.079 . 8.28 0.68 7.6754e-01 17109 1 1 1 1 30 ILE HA 4.942 . 4.18 0.56 1.7360e-01 17109 1 1 1 1 30 ILE HB 1.545 . 1.78 0.29 4.1774e-01 17109 1 1 1 1 30 ILE HG12 0.951 . 1.28 0.4 4.1079e-01 17109 1 1 1 1 30 ILE HG21 0.759 . 0.77 0.27 9.6750e-01 17109 1 1 1 1 30 ILE HG22 0.759 . 0.77 0.27 9.6750e-01 17109 1 1 1 1 30 ILE HG23 0.759 . 0.77 0.27 9.6750e-01 17109 1 1 1 1 30 ILE HD11 0.681 . 0.68 0.29 9.9725e-01 17109 1 1 1 1 30 ILE HD12 0.681 . 0.68 0.29 9.9725e-01 17109 1 1 1 1 30 ILE HD13 0.681 . 0.68 0.29 9.9725e-01 17109 1 1 1 1 30 ILE N 120.589 . 121.46 4.28 8.3874e-01 17109 1 1 1 1 31 TYR C 14.806 A 175.4 1.99 0.0000e+00 17109 1 1 1 1 31 TYR CA 56.120 . 58.13 2.51 4.2325e-01 17109 1 1 1 1 31 TYR CB 41.139 . 39.32 2.16 3.9972e-01 17109 1 1 1 1 31 TYR CD1 132.447 . 132.77 1.17 7.8250e-01 17109 1 1 1 1 31 TYR CE1 131.038 S 117.93 1.19 3.2308e-28 17109 1 1 1 1 31 TYR H 9.197 . 8.32 0.73 2.2961e-01 17109 1 1 1 1 31 TYR HA 5.299 . 4.63 0.56 2.3223e-01 17109 1 1 1 1 31 TYR HB2 2.745 . 2.91 0.37 6.5564e-01 17109 1 1 1 1 31 TYR HB3 2.663 . 2.84 0.39 6.4994e-01 17109 1 1 1 1 31 TYR HD1 7.138 . 6.93 0.3 4.8810e-01 17109 1 1 1 1 31 TYR HD2 7.138 . 6.93 0.3 4.8810e-01 17109 1 1 1 1 31 TYR HE1 6.721 . 6.7 0.23 9.2725e-01 17109 1 1 1 1 31 TYR HE2 6.721 . 6.71 0.23 9.6186e-01 17109 1 1 1 1 31 TYR N 127.458 . 120.52 4.2 9.8554e-02 17109 1 1 1 1 32 TRP C 15.194 A 176.12 2.01 0.0000e+00 17109 1 1 1 1 32 TRP CA 57.396 . 57.66 2.58 9.1850e-01 17109 1 1 1 1 32 TRP CB 29.670 . 30.01 2.01 8.6568e-01 17109 1 1 1 1 32 TRP CD1 123.380 . 126.51 1.83 8.7195e-02 17109 1 1 1 1 32 TRP CE3 112.995 S 120.43 1.79 3.2724e-05 17109 1 1 1 1 32 TRP CZ2 105.280 A 114.26 1.12 1.0761e-15 17109 1 1 1 1 32 TRP CZ3 115.854 S 121.35 1.53 3.2795e-04 17109 1 1 1 1 32 TRP CH2 119.217 . 123.86 1.42 1.0765e-03 17109 1 1 1 1 32 TRP H 9.018 . 8.29 0.79 3.5678e-01 17109 1 1 1 1 32 TRP HA 4.583 . 4.68 0.53 8.5478e-01 17109 1 1 1 1 32 TRP HB2 3.699 . 3.19 0.35 1.4587e-01 17109 1 1 1 1 32 TRP HB3 2.999 . 3.12 0.36 7.3679e-01 17109 1 1 1 1 32 TRP HD1 6.586 . 7.14 0.36 1.2383e-01 17109 1 1 1 1 32 TRP HE1 10.176 . 10.08 0.66 8.8435e-01 17109 1 1 1 1 32 TRP HE3 7.340 . 7.31 0.41 9.4167e-01 17109 1 1 1 1 32 TRP HZ2 7.514 . 7.28 0.33 4.7827e-01 17109 1 1 1 1 32 TRP HZ3 6.996 . 6.86 0.4 7.3386e-01 17109 1 1 1 1 32 TRP HH2 7.112 . 6.98 0.39 7.3502e-01 17109 1 1 1 1 32 TRP N 121.993 . 121.68 4.18 9.4031e-01 17109 1 1 1 1 33 GLY C 11.936 A 173.87 1.88 0.0000e+00 17109 1 1 1 1 33 GLY CA 44.532 . 45.35 1.34 5.4157e-01 17109 1 1 1 1 33 GLY H 7.771 . 8.33 0.65 3.8979e-01 17109 1 1 1 1 33 GLY HA2 4.460 . 3.97 0.37 1.8540e-01 17109 1 1 1 1 33 GLY HA3 3.098 . 3.9 0.37 3.0192e-02 17109 1 1 1 1 33 GLY N 120.470 . 109.67 3.87 5.2595e-03 17109 1 1 1 1 34 ALA C 16.174 A 177.74 2.13 0.0000e+00 17109 1 1 1 1 34 ALA CA 49.913 . 53.14 1.98 1.0314e-01 17109 1 1 1 1 34 ALA CB 18.955 . 19.01 1.83 9.7602e-01 17109 1 1 1 1 34 ALA H 7.901 . 8.2 0.6 6.1825e-01 17109 1 1 1 1 34 ALA HA 4.445 . 4.26 0.44 6.7415e-01 17109 1 1 1 1 34 ALA HB1 0.897 . 1.35 0.26 8.1455e-02 17109 1 1 1 1 34 ALA HB2 0.897 . 1.35 0.26 8.1455e-02 17109 1 1 1 1 34 ALA HB3 0.897 . 1.35 0.26 8.1455e-02 17109 1 1 1 1 34 ALA N 120.239 . 123.23 3.54 3.9816e-01 17109 1 1 1 1 35 ASP C 15.990 A 176.4 1.75 0.0000e+00 17109 1 1 1 1 35 ASP CA 53.030 . 54.69 2.03 4.1351e-01 17109 1 1 1 1 35 ASP CB 41.508 . 40.88 1.62 6.9827e-01 17109 1 1 1 1 35 ASP H 7.956 . 8.31 0.58 5.4163e-01 17109 1 1 1 1 35 ASP HA 4.450 . 4.59 0.32 6.6175e-01 17109 1 1 1 1 35 ASP HB2 2.683 . 2.72 0.26 8.8684e-01 17109 1 1 1 1 35 ASP HB3 2.599 . 2.66 0.28 8.2754e-01 17109 1 1 1 1 35 ASP N 118.828 . 120.65 3.86 6.3691e-01 17109 1 1 1 1 36 ASP C 17.296 A 176.4 1.75 0.0000e+00 17109 1 1 1 1 36 ASP CA 55.183 . 54.69 2.03 8.0812e-01 17109 1 1 1 1 36 ASP CB 39.837 . 40.88 1.62 5.1969e-01 17109 1 1 1 1 36 ASP H 8.536 . 8.31 0.58 6.9679e-01 17109 1 1 1 1 36 ASP HA 4.342 . 4.59 0.32 4.3834e-01 17109 1 1 1 1 36 ASP HB2 2.647 . 2.72 0.26 7.7889e-01 17109 1 1 1 1 36 ASP HB3 2.509 . 2.66 0.28 5.8969e-01 17109 1 1 1 1 36 ASP N 120.955 . 120.65 3.86 9.3702e-01 17109 1 1 1 1 37 ALA C 19.598 A 177.74 2.13 0.0000e+00 17109 1 1 1 1 37 ALA CA 53.967 . 53.14 1.98 6.7618e-01 17109 1 1 1 1 37 ALA CB 18.009 . 19.01 1.83 5.8438e-01 17109 1 1 1 1 37 ALA H 8.160 . 8.2 0.6 9.4685e-01 17109 1 1 1 1 37 ALA HA 4.060 . 4.26 0.44 6.4944e-01 17109 1 1 1 1 37 ALA HB1 1.333 . 1.35 0.26 9.4787e-01 17109 1 1 1 1 37 ALA HB2 1.333 . 1.35 0.26 9.4787e-01 17109 1 1 1 1 37 ALA HB3 1.333 . 1.35 0.26 9.4787e-01 17109 1 1 1 1 37 ALA N 119.387 . 123.23 3.54 2.7766e-01 17109 1 1 1 1 43 VAL C 14.308 A 175.62 1.9 0.0000e+00 17109 1 1 1 1 43 VAL CA 61.079 . 62.49 2.86 6.2176e-01 17109 1 1 1 1 43 VAL CB 32.911 . 32.73 1.79 9.1946e-01 17109 1 1 1 1 43 VAL H 8.262 . 8.29 0.67 9.6667e-01 17109 1 1 1 1 43 VAL HA 4.481 . 4.19 0.58 6.1586e-01 17109 1 1 1 1 43 VAL HB 1.934 . 1.98 0.32 8.8570e-01 17109 1 1 1 1 43 VAL HG11 0.766 . 0.83 0.26 8.0556e-01 17109 1 1 1 1 43 VAL HG12 0.766 . 0.83 0.26 8.0556e-01 17109 1 1 1 1 43 VAL HG13 0.766 . 0.83 0.26 8.0556e-01 17109 1 1 1 1 43 VAL HG21 0.675 . 0.8 0.28 6.5529e-01 17109 1 1 1 1 43 VAL HG22 0.675 . 0.8 0.28 6.5529e-01 17109 1 1 1 1 43 VAL HG23 0.675 . 0.8 0.28 6.5529e-01 17109 1 1 1 1 43 VAL N 121.961 . 121.14 4.54 8.5650e-01 17109 1 1 1 1 44 GLY C 12.465 A 173.87 1.88 0.0000e+00 17109 1 1 1 1 44 GLY CA 44.348 . 45.35 1.34 4.5460e-01 17109 1 1 1 1 44 GLY H 9.048 . 8.33 0.65 2.6933e-01 17109 1 1 1 1 44 GLY HA2 4.270 . 3.97 0.37 4.1747e-01 17109 1 1 1 1 44 GLY HA3 3.650 . 3.9 0.37 4.9925e-01 17109 1 1 1 1 44 GLY N 114.136 . 109.67 3.87 2.4850e-01 17109 1 1 1 1 45 MET C 13.873 A 176.18 2.09 0.0000e+00 17109 1 1 1 1 45 MET CA 54.084 . 56.11 2.23 3.6360e-01 17109 1 1 1 1 45 MET CB 34.548 . 32.99 2.24 4.8672e-01 17109 1 1 1 1 45 MET CG 31.147 . 32.01 1.24 4.8645e-01 17109 1 1 1 1 45 MET H 8.966 . 8.26 0.6 2.3933e-01 17109 1 1 1 1 45 MET HA 4.742 . 4.41 0.48 4.8915e-01 17109 1 1 1 1 45 MET HB2 1.875 . 2.03 0.34 6.4847e-01 17109 1 1 1 1 45 MET HB3 1.558 . 1.99 0.34 2.0387e-01 17109 1 1 1 1 45 MET HG2 2.296 . 2.42 0.35 7.2312e-01 17109 1 1 1 1 45 MET N 124.825 . 120.09 3.57 1.8473e-01 17109 1 1 1 1 46 PHE C 15.023 A 175.42 1.99 0.0000e+00 17109 1 1 1 1 46 PHE CA 59.286 . 58.08 2.57 6.3888e-01 17109 1 1 1 1 46 PHE CB 40.644 . 39.99 2.09 7.5434e-01 17109 1 1 1 1 46 PHE CD1 131.000 . 131.58 1.18 6.2305e-01 17109 1 1 1 1 46 PHE CE1 132.709 . 130.71 1.3 1.2412e-01 17109 1 1 1 1 46 PHE H 8.803 . 8.36 0.72 5.3837e-01 17109 1 1 1 1 46 PHE HA 3.645 . 4.63 0.57 8.3976e-02 17109 1 1 1 1 46 PHE HB2 2.721 . 3 0.37 4.5082e-01 17109 1 1 1 1 46 PHE HB3 2.541 . 2.93 0.4 3.3080e-01 17109 1 1 1 1 46 PHE HD1 6.756 . 7.06 0.31 3.2677e-01 17109 1 1 1 1 46 PHE HD2 6.756 . 7.06 0.31 3.2677e-01 17109 1 1 1 1 46 PHE HE1 7.138 . 7.08 0.31 8.5158e-01 17109 1 1 1 1 46 PHE HE2 7.138 . 7.08 0.32 8.5617e-01 17109 1 1 1 1 46 PHE N 127.637 . 120.45 4.18 8.5546e-02 17109 1 1 1 1 47 VAL C 14.235 A 175.62 1.9 0.0000e+00 17109 1 1 1 1 47 VAL CA 61.455 . 62.49 2.86 7.1744e-01 17109 1 1 1 1 47 VAL CB 32.002 . 32.73 1.79 6.8423e-01 17109 1 1 1 1 47 VAL CG1 19.948 . 21.49 1.36 2.5687e-01 17109 1 1 1 1 47 VAL CG2 17.392 . 21.26 1.56 1.3157e-02 17109 1 1 1 1 47 VAL H 7.935 . 8.29 0.67 5.9622e-01 17109 1 1 1 1 47 VAL HA 3.663 . 4.19 0.58 3.6355e-01 17109 1 1 1 1 47 VAL HB 1.416 . 1.98 0.32 7.7985e-02 17109 1 1 1 1 47 VAL HG11 0.547 . 0.83 0.26 2.7639e-01 17109 1 1 1 1 47 VAL HG12 0.547 . 0.83 0.26 2.7639e-01 17109 1 1 1 1 47 VAL HG13 0.547 . 0.83 0.26 2.7639e-01 17109 1 1 1 1 47 VAL HG21 -0.676 S 0.8 0.28 1.3537e-07 17109 1 1 1 1 47 VAL HG22 -0.676 S 0.8 0.28 1.3537e-07 17109 1 1 1 1 47 VAL HG23 -0.676 S 0.8 0.28 1.3537e-07 17109 1 1 1 1 47 VAL N 130.544 . 121.14 4.54 3.8325e-02 17109 1 1 1 1 48 SER C 13.167 A 174.62 1.72 0.0000e+00 17109 1 1 1 1 48 SER CA 57.384 . 58.72 2.07 5.1866e-01 17109 1 1 1 1 48 SER CB 65.720 . 63.8 1.48 1.9453e-01 17109 1 1 1 1 48 SER H 7.966 . 8.28 0.59 5.9459e-01 17109 1 1 1 1 48 SER HA 4.626 . 4.48 0.4 7.1511e-01 17109 1 1 1 1 48 SER HB2 4.039 . 3.88 0.25 5.2478e-01 17109 1 1 1 1 48 SER HB3 3.870 . 3.85 0.27 9.4095e-01 17109 1 1 1 1 48 SER N 120.133 . 116.28 3.52 2.7369e-01 17109 1 1 1 1 49 ASP C 14.539 A 176.4 1.75 0.0000e+00 17109 1 1 1 1 49 ASP CA 55.222 . 54.69 2.03 7.9327e-01 17109 1 1 1 1 49 ASP CB 40.206 . 40.88 1.62 6.7737e-01 17109 1 1 1 1 49 ASP H 8.687 . 8.31 0.58 5.1569e-01 17109 1 1 1 1 49 ASP HA 4.603 . 4.59 0.32 9.6760e-01 17109 1 1 1 1 49 ASP HB2 2.738 . 2.72 0.26 9.4481e-01 17109 1 1 1 1 49 ASP N 116.474 . 120.65 3.86 2.7931e-01 17109 1 1 1 1 50 VAL C 14.487 A 175.62 1.9 0.0000e+00 17109 1 1 1 1 50 VAL CA 60.840 . 62.49 2.86 5.6399e-01 17109 1 1 1 1 50 VAL CB 32.067 . 32.73 1.79 7.1109e-01 17109 1 1 1 1 50 VAL CG1 20.930 . 21.49 1.36 6.8051e-01 17109 1 1 1 1 50 VAL CG2 17.961 . 21.26 1.56 3.4452e-02 17109 1 1 1 1 50 VAL H 7.765 . 8.29 0.67 4.3329e-01 17109 1 1 1 1 50 VAL HA 4.478 . 4.19 0.58 6.1951e-01 17109 1 1 1 1 50 VAL HB 2.312 . 1.98 0.32 2.9950e-01 17109 1 1 1 1 50 VAL HG11 0.884 . 0.83 0.26 8.3547e-01 17109 1 1 1 1 50 VAL HG12 0.884 . 0.83 0.26 8.3547e-01 17109 1 1 1 1 50 VAL HG13 0.884 . 0.83 0.26 8.3547e-01 17109 1 1 1 1 50 VAL HG21 0.684 . 0.8 0.28 6.7866e-01 17109 1 1 1 1 50 VAL HG22 0.684 . 0.8 0.28 6.7866e-01 17109 1 1 1 1 50 VAL HG23 0.684 . 0.8 0.28 6.7866e-01 17109 1 1 1 1 50 VAL N 109.279 . 121.14 4.54 8.9868e-03 17109 1 1 1 1 51 THR C 14.591 A 174.54 1.76 0.0000e+00 17109 1 1 1 1 51 THR CA 58.487 . 62.22 2.59 1.4950e-01 17109 1 1 1 1 51 THR CB 71.674 . 69.73 1.63 2.3301e-01 17109 1 1 1 1 51 THR CG2 22.071 . 21.55 1.11 6.3881e-01 17109 1 1 1 1 51 THR H 7.095 . 8.24 0.62 6.4780e-02 17109 1 1 1 1 51 THR HA 5.293 . 4.46 0.48 8.2667e-02 17109 1 1 1 1 51 THR HB 4.975 . 4.17 0.33 1.4712e-02 17109 1 1 1 1 51 THR HG21 0.700 . 1.14 0.23 5.5743e-02 17109 1 1 1 1 51 THR HG22 0.700 . 1.14 0.23 5.5743e-02 17109 1 1 1 1 51 THR HG23 0.700 . 1.14 0.23 5.5743e-02 17109 1 1 1 1 51 THR N 110.412 . 115.42 4.75 2.9174e-01 17109 1 1 1 1 52 THR C 17.060 A 174.54 1.76 0.0000e+00 17109 1 1 1 1 52 THR CA 59.777 . 62.22 2.59 3.4556e-01 17109 1 1 1 1 52 THR CB 72.911 . 69.73 1.63 5.0994e-02 17109 1 1 1 1 52 THR CG2 19.322 . 21.55 1.11 4.4728e-02 17109 1 1 1 1 52 THR H 8.829 . 8.24 0.62 3.4211e-01 17109 1 1 1 1 52 THR HA 4.988 . 4.46 0.48 2.7133e-01 17109 1 1 1 1 52 THR HB 4.516 . 4.17 0.33 2.9442e-01 17109 1 1 1 1 52 THR HG21 0.995 . 1.14 0.23 5.2841e-01 17109 1 1 1 1 52 THR HG22 0.995 . 1.14 0.23 5.2841e-01 17109 1 1 1 1 52 THR HG23 0.995 . 1.14 0.23 5.2841e-01 17109 1 1 1 1 52 THR N 109.531 . 115.42 4.75 2.1505e-01 17109 1 1 1 1 53 THR C 16.085 A 174.54 1.76 0.0000e+00 17109 1 1 1 1 53 THR CA 60.920 . 62.22 2.59 6.1572e-01 17109 1 1 1 1 53 THR CB 67.192 . 69.73 1.63 1.1946e-01 17109 1 1 1 1 53 THR CG2 22.332 . 21.55 1.11 4.8112e-01 17109 1 1 1 1 53 THR H 8.851 . 8.24 0.62 3.2439e-01 17109 1 1 1 1 53 THR HA 4.601 . 4.46 0.48 7.6895e-01 17109 1 1 1 1 53 THR HB 4.134 . 4.17 0.33 9.1313e-01 17109 1 1 1 1 53 THR HG21 1.629 . 1.14 0.23 3.3496e-02 17109 1 1 1 1 53 THR HG22 1.629 . 1.14 0.23 3.3496e-02 17109 1 1 1 1 53 THR HG23 1.629 . 1.14 0.23 3.3496e-02 17109 1 1 1 1 53 THR N 113.821 . 115.42 4.75 7.3639e-01 17109 1 1 1 1 55 SER C 16.253 A 174.62 1.72 0.0000e+00 17109 1 1 1 1 55 SER CA 58.086 . 58.72 2.07 7.5939e-01 17109 1 1 1 1 55 SER CB 62.950 . 63.8 1.48 5.6575e-01 17109 1 1 1 1 55 SER H 6.889 . 8.28 0.59 1.8392e-02 17109 1 1 1 1 55 SER HA 4.481 . 4.48 0.4 9.9801e-01 17109 1 1 1 1 55 SER HB2 4.128 . 3.88 0.25 3.2120e-01 17109 1 1 1 1 55 SER HB3 4.003 . 3.85 0.27 5.7094e-01 17109 1 1 1 1 55 SER N 105.932 . 116.28 3.52 3.2845e-03 17109 1 1 1 1 56 GLY C 15.832 A 173.87 1.88 0.0000e+00 17109 1 1 1 1 56 GLY CA 45.213 . 45.35 1.34 9.1857e-01 17109 1 1 1 1 56 GLY H 7.728 . 8.33 0.65 3.5437e-01 17109 1 1 1 1 56 GLY HA2 4.174 . 3.97 0.37 5.8139e-01 17109 1 1 1 1 56 GLY HA3 3.719 . 3.9 0.37 6.2471e-01 17109 1 1 1 1 56 GLY N 109.653 . 109.67 3.87 9.9650e-01 17109 1 1 1 1 57 GLY C 12.905 A 173.87 1.88 0.0000e+00 17109 1 1 1 1 57 GLY CA 46.480 . 45.35 1.34 3.9907e-01 17109 1 1 1 1 57 GLY H 7.471 . 8.33 0.65 1.8632e-01 17109 1 1 1 1 57 GLY HA2 3.869 . 3.97 0.37 7.8487e-01 17109 1 1 1 1 57 GLY HA3 3.663 . 3.9 0.37 5.2182e-01 17109 1 1 1 1 57 GLY N 105.848 . 109.67 3.87 3.2335e-01 17109 1 1 1 1 58 GLY C 12.807 A 173.87 1.88 0.0000e+00 17109 1 1 1 1 58 GLY CA 43.642 . 45.35 1.34 2.0244e-01 17109 1 1 1 1 58 GLY H 7.545 . 8.33 0.65 2.2717e-01 17109 1 1 1 1 58 GLY HA2 4.372 . 3.97 0.37 2.7726e-01 17109 1 1 1 1 58 GLY HA3 3.196 . 3.9 0.37 5.7079e-02 17109 1 1 1 1 58 GLY N 108.941 . 109.67 3.87 8.5059e-01 17109 1 1 1 1 59 HIS C 14.930 A 175.25 1.97 0.0000e+00 17109 1 1 1 1 59 HIS CA 52.820 . 56.52 2.31 1.0921e-01 17109 1 1 1 1 59 HIS CB 30.250 . 30.24 2.07 9.9615e-01 17109 1 1 1 1 59 HIS CD2 123.220 . 120.49 3.42 4.2473e-01 17109 1 1 1 1 59 HIS CE1 142.939 . 137.71 2.12 1.3644e-02 17109 1 1 1 1 59 HIS H 9.517 . 8.24 0.68 6.0389e-02 17109 1 1 1 1 59 HIS HA 5.162 . 4.61 0.43 1.9924e-01 17109 1 1 1 1 59 HIS HB2 3.578 . 3.1 0.36 1.8425e-01 17109 1 1 1 1 59 HIS HB3 2.756 . 3.04 0.38 4.5484e-01 17109 1 1 1 1 59 HIS HD2 6.795 . 7 0.43 6.3354e-01 17109 1 1 1 1 59 HIS HE1 7.923 . 7.95 0.48 9.5514e-01 17109 1 1 1 1 59 HIS N 127.621 . 119.69 4 4.7395e-02 17109 1 1 1 1 60 THR C 11.847 A 174.54 1.76 0.0000e+00 17109 1 1 1 1 60 THR CA 61.358 . 62.22 2.59 7.3927e-01 17109 1 1 1 1 60 THR CB 69.821 . 69.73 1.63 9.5548e-01 17109 1 1 1 1 60 THR CG2 22.059 . 21.55 1.11 6.4655e-01 17109 1 1 1 1 60 THR H 9.769 . 8.24 0.62 1.3658e-02 17109 1 1 1 1 60 THR HA 4.870 . 4.46 0.48 3.9301e-01 17109 1 1 1 1 60 THR HB 3.627 . 4.17 0.33 9.9876e-02 17109 1 1 1 1 60 THR HG21 0.916 . 1.14 0.23 3.3010e-01 17109 1 1 1 1 60 THR HG22 0.916 . 1.14 0.23 3.3010e-01 17109 1 1 1 1 60 THR HG23 0.916 . 1.14 0.23 3.3010e-01 17109 1 1 1 1 60 THR N 127.768 . 115.42 4.75 9.3338e-03 17109 1 1 1 1 61 VAL C 13.794 A 175.62 1.9 0.0000e+00 17109 1 1 1 1 61 VAL CA 59.808 . 62.49 2.86 3.4837e-01 17109 1 1 1 1 61 VAL CB 33.334 . 32.73 1.79 7.3579e-01 17109 1 1 1 1 61 VAL CG1 19.899 . 21.49 1.36 2.4206e-01 17109 1 1 1 1 61 VAL CG2 19.550 . 21.26 1.56 2.7301e-01 17109 1 1 1 1 61 VAL H 8.548 . 8.29 0.67 7.0018e-01 17109 1 1 1 1 61 VAL HA 4.641 . 4.19 0.58 4.3681e-01 17109 1 1 1 1 61 VAL HB 1.335 . 1.98 0.32 4.3839e-02 17109 1 1 1 1 61 VAL HG11 0.275 . 0.83 0.26 3.2792e-02 17109 1 1 1 1 61 VAL HG12 0.275 . 0.83 0.26 3.2792e-02 17109 1 1 1 1 61 VAL HG13 0.275 . 0.83 0.26 3.2792e-02 17109 1 1 1 1 61 VAL HG21 -0.142 S 0.8 0.28 7.6742e-04 17109 1 1 1 1 61 VAL HG22 -0.142 S 0.8 0.28 7.6742e-04 17109 1 1 1 1 61 VAL HG23 -0.142 S 0.8 0.28 7.6742e-04 17109 1 1 1 1 61 VAL N 126.493 . 121.14 4.54 2.3837e-01 17109 1 1 1 1 62 LEU C 15.554 A 176.99 1.98 0.0000e+00 17109 1 1 1 1 62 LEU CA 51.143 . 55.62 2.13 3.5564e-02 17109 1 1 1 1 62 LEU CB 43.344 . 42.31 1.88 5.8232e-01 17109 1 1 1 1 62 LEU CG 26.577 . 26.78 1.1 8.5359e-01 17109 1 1 1 1 62 LEU CD1 26.782 . 24.72 1.59 1.9468e-01 17109 1 1 1 1 62 LEU CD2 23.675 . 24.05 1.7 8.2541e-01 17109 1 1 1 1 62 LEU H 9.330 . 8.23 0.65 9.0587e-02 17109 1 1 1 1 62 LEU HA 5.345 . 4.32 0.47 2.9194e-02 17109 1 1 1 1 62 LEU HB2 1.698 . 1.61 0.34 7.9577e-01 17109 1 1 1 1 62 LEU HB3 1.010 . 1.52 0.36 1.5658e-01 17109 1 1 1 1 62 LEU HG 1.514 . 1.51 0.33 9.9033e-01 17109 1 1 1 1 62 LEU HD11 0.714 . 0.75 0.28 8.9770e-01 17109 1 1 1 1 62 LEU HD12 0.714 . 0.75 0.28 8.9770e-01 17109 1 1 1 1 62 LEU HD13 0.714 . 0.75 0.28 8.9770e-01 17109 1 1 1 1 62 LEU HD21 0.659 . 0.73 0.29 8.0659e-01 17109 1 1 1 1 62 LEU HD22 0.659 . 0.73 0.29 8.0659e-01 17109 1 1 1 1 62 LEU HD23 0.659 . 0.73 0.29 8.0659e-01 17109 1 1 1 1 62 LEU N 126.162 . 121.86 3.9 2.6999e-01 17109 1 1 1 1 63 SER C 14.576 A 174.62 1.72 0.0000e+00 17109 1 1 1 1 63 SER CA 54.893 . 58.72 2.07 6.4488e-02 17109 1 1 1 1 63 SER CB 64.901 . 63.8 1.48 4.5693e-01 17109 1 1 1 1 63 SER H 9.129 . 8.28 0.59 1.5016e-01 17109 1 1 1 1 63 SER HA 5.328 . 4.48 0.4 3.4006e-02 17109 1 1 1 1 63 SER HB2 3.648 . 3.88 0.25 3.5341e-01 17109 1 1 1 1 63 SER HB3 3.349 . 3.85 0.27 6.3517e-02 17109 1 1 1 1 63 SER N 116.370 . 116.28 3.52 9.7960e-01 17109 1 1 1 1 64 GLY C 13.058 A 173.87 1.88 0.0000e+00 17109 1 1 1 1 64 GLY CA 45.547 . 45.35 1.34 8.8312e-01 17109 1 1 1 1 64 GLY H 8.731 . 8.33 0.65 5.3729e-01 17109 1 1 1 1 64 GLY HA2 4.309 . 3.97 0.37 3.5955e-01 17109 1 1 1 1 64 GLY HA3 3.394 . 3.9 0.37 1.7145e-01 17109 1 1 1 1 64 GLY N 111.708 . 109.67 3.87 5.9846e-01 17109 1 1 1 1 74 GLY C 13.703 A 173.87 1.88 0.0000e+00 17109 1 1 1 1 74 GLY CA 45.507 . 45.35 1.34 9.0673e-01 17109 1 1 1 1 74 GLY H 7.882 . 8.33 0.65 4.9068e-01 17109 1 1 1 1 74 GLY HA2 4.060 . 3.97 0.37 8.0782e-01 17109 1 1 1 1 74 GLY HA3 3.899 . 3.9 0.37 9.9784e-01 17109 1 1 1 1 74 GLY N 106.141 . 109.67 3.87 3.6183e-01 17109 1 1 1 1 75 GLN C 17.319 A 176.31 1.95 0.0000e+00 17109 1 1 1 1 75 GLN CA 56.016 . 56.57 2.14 7.9573e-01 17109 1 1 1 1 75 GLN CB 29.310 . 29.19 1.82 9.4743e-01 17109 1 1 1 1 75 GLN CG 33.660 . 33.76 1.11 9.2822e-01 17109 1 1 1 1 75 GLN H 7.593 . 8.22 0.59 2.8791e-01 17109 1 1 1 1 75 GLN HA 4.229 . 4.27 0.44 9.2576e-01 17109 1 1 1 1 75 GLN HB2 2.216 . 2.05 0.25 5.0669e-01 17109 1 1 1 1 75 GLN HB3 1.949 . 2.02 0.28 7.9983e-01 17109 1 1 1 1 75 GLN HG2 2.388 . 2.32 0.27 8.0116e-01 17109 1 1 1 1 75 GLN HG3 2.324 . 2.29 0.29 9.0667e-01 17109 1 1 1 1 75 GLN N 115.943 . 119.89 3.6 2.7291e-01 17109 1 1 1 1 76 LEU C 15.639 A 176.99 1.98 0.0000e+00 17109 1 1 1 1 76 LEU CA 54.578 . 55.62 2.13 6.2470e-01 17109 1 1 1 1 76 LEU CB 41.720 . 42.31 1.88 7.5365e-01 17109 1 1 1 1 76 LEU CG 27.077 . 26.78 1.1 7.8716e-01 17109 1 1 1 1 76 LEU CD1 26.131 . 24.72 1.59 3.7485e-01 17109 1 1 1 1 76 LEU CD2 24.590 . 24.05 1.7 7.5075e-01 17109 1 1 1 1 76 LEU H 7.279 . 8.23 0.65 1.4345e-01 17109 1 1 1 1 76 LEU HA 4.373 . 4.32 0.47 9.1022e-01 17109 1 1 1 1 76 LEU HB2 2.009 . 1.61 0.34 2.4058e-01 17109 1 1 1 1 76 LEU HB3 1.310 . 1.52 0.36 5.5967e-01 17109 1 1 1 1 76 LEU HG 1.690 . 1.51 0.33 5.8544e-01 17109 1 1 1 1 76 LEU HD11 0.931 . 0.75 0.28 5.1800e-01 17109 1 1 1 1 76 LEU HD12 0.931 . 0.75 0.28 5.1800e-01 17109 1 1 1 1 76 LEU HD13 0.931 . 0.75 0.28 5.1800e-01 17109 1 1 1 1 76 LEU HD21 0.799 . 0.73 0.29 8.1193e-01 17109 1 1 1 1 76 LEU HD22 0.799 . 0.73 0.29 8.1193e-01 17109 1 1 1 1 76 LEU HD23 0.799 . 0.73 0.29 8.1193e-01 17109 1 1 1 1 76 LEU N 117.715 . 121.86 3.9 2.8786e-01 17109 1 1 1 1 77 LYS C 15.553 A 176.64 2 0.0000e+00 17109 1 1 1 1 77 LYS CA 53.336 . 56.95 2.2 1.0044e-01 17109 1 1 1 1 77 LYS CB 36.380 . 32.79 1.78 4.3711e-02 17109 1 1 1 1 77 LYS CG 24.915 . 24.89 1.13 9.8235e-01 17109 1 1 1 1 77 LYS CD 28.317 . 28.96 1.08 5.5160e-01 17109 1 1 1 1 77 LYS CE 41.616 . 41.89 0.82 7.3827e-01 17109 1 1 1 1 77 LYS H 9.508 . 8.19 0.6 2.8044e-02 17109 1 1 1 1 77 LYS HA 4.545 . 4.27 0.44 5.3197e-01 17109 1 1 1 1 77 LYS HB2 1.844 . 1.78 0.25 7.9795e-01 17109 1 1 1 1 77 LYS HB3 1.613 . 1.74 0.27 6.3809e-01 17109 1 1 1 1 77 LYS HG2 1.355 . 1.37 0.26 9.5399e-01 17109 1 1 1 1 77 LYS HD2 1.705 . 1.61 0.22 6.6587e-01 17109 1 1 1 1 77 LYS HE2 3.001 . 2.92 0.19 6.6988e-01 17109 1 1 1 1 77 LYS N 122.125 . 121.05 3.77 7.7553e-01 17109 1 1 1 1 78 GLU C 17.053 A 176.87 1.95 0.0000e+00 17109 1 1 1 1 78 GLU CA 59.205 . 57.32 2.09 3.6710e-01 17109 1 1 1 1 78 GLU CB 28.284 . 30.01 1.72 3.1563e-01 17109 1 1 1 1 78 GLU CG 36.480 . 36.11 1.19 7.5586e-01 17109 1 1 1 1 78 GLU H 8.894 . 8.33 0.59 3.3911e-01 17109 1 1 1 1 78 GLU HA 3.523 . 4.25 0.41 7.6201e-02 17109 1 1 1 1 78 GLU HB2 1.926 . 2.02 0.21 6.5443e-01 17109 1 1 1 1 78 GLU HG2 2.241 . 2.27 0.21 8.9017e-01 17109 1 1 1 1 78 GLU HG3 2.126 . 2.25 0.22 5.7300e-01 17109 1 1 1 1 78 GLU N 118.769 . 120.67 3.48 5.8488e-01 17109 1 1 1 1 79 LYS C 16.434 A 176.64 2 0.0000e+00 17109 1 1 1 1 79 LYS CA 59.231 . 56.95 2.2 2.9982e-01 17109 1 1 1 1 79 LYS CB 29.657 . 32.79 1.78 7.8389e-02 17109 1 1 1 1 79 LYS CG 25.505 . 24.89 1.13 5.8627e-01 17109 1 1 1 1 79 LYS CD 28.594 . 28.96 1.08 7.3469e-01 17109 1 1 1 1 79 LYS CE 41.704 . 41.89 0.82 8.2056e-01 17109 1 1 1 1 79 LYS H 8.900 . 8.19 0.6 2.3668e-01 17109 1 1 1 1 79 LYS HA 3.751 . 4.27 0.44 2.3818e-01 17109 1 1 1 1 79 LYS HB2 2.405 . 1.78 0.25 1.2419e-02 17109 1 1 1 1 79 LYS HB3 1.988 . 1.74 0.27 3.5835e-01 17109 1 1 1 1 79 LYS HG2 1.407 . 1.37 0.26 8.8684e-01 17109 1 1 1 1 79 LYS HD2 1.671 . 1.61 0.22 7.8157e-01 17109 1 1 1 1 79 LYS HD3 1.619 . 1.6 0.22 9.3118e-01 17109 1 1 1 1 79 LYS HE2 2.968 . 2.92 0.19 8.0055e-01 17109 1 1 1 1 79 LYS N 114.676 . 121.05 3.77 9.0891e-02 17109 1 1 1 1 80 ASP C 15.886 A 176.4 1.75 0.0000e+00 17109 1 1 1 1 80 ASP CA 55.661 . 54.69 2.03 6.3242e-01 17109 1 1 1 1 80 ASP CB 41.782 . 40.88 1.62 5.7767e-01 17109 1 1 1 1 80 ASP H 8.046 . 8.31 0.58 6.4898e-01 17109 1 1 1 1 80 ASP HA 4.946 . 4.59 0.32 2.6592e-01 17109 1 1 1 1 80 ASP HB2 3.187 . 2.72 0.26 7.2470e-02 17109 1 1 1 1 80 ASP HB3 2.639 . 2.66 0.28 9.4021e-01 17109 1 1 1 1 80 ASP N 119.539 . 120.65 3.86 7.7348e-01 17109 1 1 1 1 81 THR C 14.221 A 174.54 1.76 0.0000e+00 17109 1 1 1 1 81 THR CA 61.103 . 62.22 2.59 6.6627e-01 17109 1 1 1 1 81 THR CB 71.264 . 69.73 1.63 3.4665e-01 17109 1 1 1 1 81 THR CG2 22.351 . 21.55 1.11 4.7053e-01 17109 1 1 1 1 81 THR H 8.083 . 8.24 0.62 8.0009e-01 17109 1 1 1 1 81 THR HA 5.321 . 4.46 0.48 7.2853e-02 17109 1 1 1 1 81 THR HB 4.028 . 4.17 0.33 6.6697e-01 17109 1 1 1 1 81 THR HG21 1.208 . 1.14 0.23 7.6750e-01 17109 1 1 1 1 81 THR HG22 1.208 . 1.14 0.23 7.6750e-01 17109 1 1 1 1 81 THR HG23 1.208 . 1.14 0.23 7.6750e-01 17109 1 1 1 1 81 THR N 111.423 . 115.42 4.75 4.0008e-01 17109 1 1 1 1 82 LEU C 14.850 A 176.99 1.98 0.0000e+00 17109 1 1 1 1 82 LEU CA 53.721 . 55.62 2.13 3.7263e-01 17109 1 1 1 1 82 LEU CB 45.655 . 42.31 1.88 7.5198e-02 17109 1 1 1 1 82 LEU CG 25.931 . 26.78 1.1 4.4022e-01 17109 1 1 1 1 82 LEU CD1 24.718 . 24.72 1.59 9.9900e-01 17109 1 1 1 1 82 LEU H 8.674 . 8.23 0.65 4.9456e-01 17109 1 1 1 1 82 LEU HA 4.836 . 4.32 0.47 2.7226e-01 17109 1 1 1 1 82 LEU HB2 1.554 . 1.61 0.34 8.6918e-01 17109 1 1 1 1 82 LEU HB3 1.205 . 1.52 0.36 3.8157e-01 17109 1 1 1 1 82 LEU HG 0.595 . 1.51 0.33 5.5589e-03 17109 1 1 1 1 82 LEU HD11 0.916 . 0.75 0.28 5.5328e-01 17109 1 1 1 1 82 LEU HD12 0.916 . 0.75 0.28 5.5328e-01 17109 1 1 1 1 82 LEU HD13 0.916 . 0.75 0.28 5.5328e-01 17109 1 1 1 1 82 LEU N 120.298 . 121.86 3.9 6.8878e-01 17109 1 1 1 1 83 VAL C 14.766 A 175.62 1.9 0.0000e+00 17109 1 1 1 1 83 VAL CA 61.157 . 62.49 2.86 6.4116e-01 17109 1 1 1 1 83 VAL CB 34.923 . 32.73 1.79 2.2052e-01 17109 1 1 1 1 83 VAL CG1 20.998 . 21.49 1.36 7.1753e-01 17109 1 1 1 1 83 VAL H 8.670 . 8.29 0.67 5.7060e-01 17109 1 1 1 1 83 VAL HA 5.269 . 4.19 0.58 6.2837e-02 17109 1 1 1 1 83 VAL HB 2.054 . 1.98 0.32 8.1712e-01 17109 1 1 1 1 83 VAL HG11 0.933 . 0.83 0.26 6.9199e-01 17109 1 1 1 1 83 VAL HG12 0.933 . 0.83 0.26 6.9199e-01 17109 1 1 1 1 83 VAL HG13 0.933 . 0.83 0.26 6.9199e-01 17109 1 1 1 1 83 VAL N 121.676 . 121.14 4.54 9.0602e-01 17109 1 1 1 1 84 LEU C 15.644 A 176.99 1.98 0.0000e+00 17109 1 1 1 1 84 LEU CA 53.160 . 55.62 2.13 2.4812e-01 17109 1 1 1 1 84 LEU CB 46.815 . 42.31 1.88 1.6563e-02 17109 1 1 1 1 84 LEU CG 27.972 . 26.78 1.1 2.7853e-01 17109 1 1 1 1 84 LEU CD1 26.408 . 24.72 1.59 2.8840e-01 17109 1 1 1 1 84 LEU CD2 25.507 . 24.05 1.7 3.9141e-01 17109 1 1 1 1 84 LEU H 10.036 . 8.23 0.65 5.4617e-03 17109 1 1 1 1 84 LEU HA 5.647 . 4.32 0.47 4.7517e-03 17109 1 1 1 1 84 LEU HB2 1.888 . 1.61 0.34 4.1356e-01 17109 1 1 1 1 84 LEU HB3 1.704 . 1.52 0.36 6.0927e-01 17109 1 1 1 1 84 LEU HG 1.663 . 1.51 0.33 6.4291e-01 17109 1 1 1 1 84 LEU HD11 0.794 . 0.75 0.28 8.7513e-01 17109 1 1 1 1 84 LEU HD12 0.794 . 0.75 0.28 8.7513e-01 17109 1 1 1 1 84 LEU HD13 0.794 . 0.75 0.28 8.7513e-01 17109 1 1 1 1 84 LEU HD21 0.063 . 0.73 0.29 2.1448e-02 17109 1 1 1 1 84 LEU HD22 0.063 . 0.73 0.29 2.1448e-02 17109 1 1 1 1 84 LEU HD23 0.063 . 0.73 0.29 2.1448e-02 17109 1 1 1 1 84 LEU N 129.813 . 121.86 3.9 4.1427e-02 17109 1 1 1 1 85 GLU C 15.910 A 176.87 1.95 0.0000e+00 17109 1 1 1 1 85 GLU CA 54.716 . 57.32 2.09 2.1279e-01 17109 1 1 1 1 85 GLU CB 30.904 . 30.01 1.72 6.0323e-01 17109 1 1 1 1 85 GLU CG 35.789 . 36.11 1.19 7.8735e-01 17109 1 1 1 1 85 GLU H 9.117 . 8.33 0.59 1.8224e-01 17109 1 1 1 1 85 GLU HA 5.293 . 4.25 0.41 1.0962e-02 17109 1 1 1 1 85 GLU HB2 2.023 . 2.02 0.21 9.8860e-01 17109 1 1 1 1 85 GLU HB3 1.977 . 1.99 0.23 9.5493e-01 17109 1 1 1 1 85 GLU HG2 2.155 . 2.27 0.21 5.8395e-01 17109 1 1 1 1 85 GLU N 125.094 . 120.67 3.48 2.0363e-01 17109 1 1 1 1 87 ASP C 11.773 A 176.4 1.75 0.0000e+00 17109 1 1 1 1 87 ASP CA 54.613 . 54.69 2.03 9.6974e-01 17109 1 1 1 1 87 ASP CB 39.659 . 40.88 1.62 4.5103e-01 17109 1 1 1 1 87 ASP H 9.071 . 8.31 0.58 1.8950e-01 17109 1 1 1 1 87 ASP HA 3.921 . 4.59 0.32 3.6562e-02 17109 1 1 1 1 87 ASP HB2 2.662 . 2.72 0.26 8.2348e-01 17109 1 1 1 1 87 ASP HB3 1.438 S 2.66 0.28 1.2754e-05 17109 1 1 1 1 87 ASP N 130.832 . 120.65 3.86 8.3440e-03 17109 1 1 1 1 88 ASN C 13.995 A 175.27 1.79 0.0000e+00 17109 1 1 1 1 88 ASN CA 54.528 . 53.54 1.88 5.9921e-01 17109 1 1 1 1 88 ASN CB 37.383 . 38.69 1.69 4.3930e-01 17109 1 1 1 1 88 ASN H 8.623 . 8.34 0.63 6.5328e-01 17109 1 1 1 1 88 ASN HA 4.193 . 4.67 0.36 1.8517e-01 17109 1 1 1 1 88 ASN HB2 2.953 . 2.81 0.31 6.4459e-01 17109 1 1 1 1 88 ASN HB3 2.915 . 2.75 0.33 6.1707e-01 17109 1 1 1 1 88 ASN N 109.843 . 118.93 4.03 2.4143e-02 17109 1 1 1 1 89 LYS C 14.644 A 176.64 2 0.0000e+00 17109 1 1 1 1 89 LYS CA 55.133 . 56.95 2.2 4.0886e-01 17109 1 1 1 1 89 LYS CB 36.460 . 32.79 1.78 3.9227e-02 17109 1 1 1 1 89 LYS CG 25.254 . 24.89 1.13 7.4736e-01 17109 1 1 1 1 89 LYS CD 28.711 . 28.96 1.08 8.1766e-01 17109 1 1 1 1 89 LYS CE 41.513 . 41.89 0.82 6.4569e-01 17109 1 1 1 1 89 LYS H 7.921 . 8.19 0.6 6.5391e-01 17109 1 1 1 1 89 LYS HA 4.743 . 4.27 0.44 2.8237e-01 17109 1 1 1 1 89 LYS HB2 1.783 . 1.78 0.25 9.9043e-01 17109 1 1 1 1 89 LYS HB3 1.243 . 1.74 0.27 6.5660e-02 17109 1 1 1 1 89 LYS HG2 1.372 . 1.37 0.26 9.9386e-01 17109 1 1 1 1 89 LYS HG3 1.124 . 1.35 0.28 4.1958e-01 17109 1 1 1 1 89 LYS HD2 1.549 . 1.61 0.22 7.8157e-01 17109 1 1 1 1 89 LYS HD3 1.458 . 1.6 0.22 5.1863e-01 17109 1 1 1 1 89 LYS HE2 2.827 . 2.92 0.19 6.2451e-01 17109 1 1 1 1 89 LYS N 119.021 . 121.05 3.77 5.9044e-01 17109 1 1 1 1 90 THR C 12.823 A 174.54 1.76 0.0000e+00 17109 1 1 1 1 90 THR CA 61.745 . 62.22 2.59 8.5449e-01 17109 1 1 1 1 90 THR CB 69.709 . 69.73 1.63 9.8972e-01 17109 1 1 1 1 90 THR CG2 22.062 . 21.55 1.11 6.4461e-01 17109 1 1 1 1 90 THR H 8.464 . 8.24 0.62 7.1788e-01 17109 1 1 1 1 90 THR HA 4.819 . 4.46 0.48 4.5451e-01 17109 1 1 1 1 90 THR HB 3.297 . 4.17 0.33 8.1581e-03 17109 1 1 1 1 90 THR HG21 0.954 . 1.14 0.23 4.1869e-01 17109 1 1 1 1 90 THR HG22 0.954 . 1.14 0.23 4.1869e-01 17109 1 1 1 1 90 THR HG23 0.954 . 1.14 0.23 4.1869e-01 17109 1 1 1 1 90 THR N 117.141 . 115.42 4.75 7.1712e-01 17109 1 1 1 1 91 TYR C 14.313 A 175.4 1.99 0.0000e+00 17109 1 1 1 1 91 TYR CA 56.764 . 58.13 2.51 5.8629e-01 17109 1 1 1 1 91 TYR CB 41.054 . 39.32 2.16 4.2210e-01 17109 1 1 1 1 91 TYR CD1 129.785 . 132.77 1.17 1.0733e-02 17109 1 1 1 1 91 TYR CE1 124.353 S 117.93 1.19 6.7584e-08 17109 1 1 1 1 91 TYR H 9.564 . 8.32 0.73 8.8361e-02 17109 1 1 1 1 91 TYR HA 4.620 . 4.63 0.56 9.8575e-01 17109 1 1 1 1 91 TYR HB2 3.115 . 2.91 0.37 5.7954e-01 17109 1 1 1 1 91 TYR HB3 2.734 . 2.84 0.39 7.8578e-01 17109 1 1 1 1 91 TYR HD1 7.132 . 6.93 0.3 5.0074e-01 17109 1 1 1 1 91 TYR HD2 7.132 . 6.93 0.3 5.0074e-01 17109 1 1 1 1 91 TYR HE1 6.869 . 6.7 0.23 4.6247e-01 17109 1 1 1 1 91 TYR HE2 6.869 . 6.71 0.23 4.8937e-01 17109 1 1 1 1 91 TYR N 127.333 . 120.52 4.2 1.0477e-01 17109 1 1 1 1 92 THR C 12.464 A 174.54 1.76 0.0000e+00 17109 1 1 1 1 92 THR CA 61.320 . 62.22 2.59 7.2822e-01 17109 1 1 1 1 92 THR CB 69.546 . 69.73 1.63 9.1012e-01 17109 1 1 1 1 92 THR CG2 21.159 . 21.55 1.11 7.2465e-01 17109 1 1 1 1 92 THR H 8.705 . 8.24 0.62 4.5325e-01 17109 1 1 1 1 92 THR HA 4.941 . 4.46 0.48 3.1630e-01 17109 1 1 1 1 92 THR HB 3.932 . 4.17 0.33 4.7078e-01 17109 1 1 1 1 92 THR HG21 1.116 . 1.14 0.23 9.1689e-01 17109 1 1 1 1 92 THR HG22 1.116 . 1.14 0.23 9.1689e-01 17109 1 1 1 1 92 THR HG23 1.116 . 1.14 0.23 9.1689e-01 17109 1 1 1 1 92 THR N 117.512 . 115.42 4.75 6.5963e-01 17109 1 1 1 1 93 TYR C 14.846 A 175.4 1.99 0.0000e+00 17109 1 1 1 1 93 TYR CA 55.804 . 58.13 2.51 3.5409e-01 17109 1 1 1 1 93 TYR CB 42.627 . 39.32 2.16 1.2576e-01 17109 1 1 1 1 93 TYR CD1 134.739 . 132.77 1.17 9.2393e-02 17109 1 1 1 1 93 TYR CE1 135.823 A 117.93 1.19 4.2569e-51 17109 1 1 1 1 93 TYR H 9.381 . 8.32 0.73 1.4611e-01 17109 1 1 1 1 93 TYR HA 5.431 . 4.63 0.56 1.5261e-01 17109 1 1 1 1 93 TYR HB2 2.617 . 2.91 0.37 4.2842e-01 17109 1 1 1 1 93 TYR HB3 2.569 . 2.84 0.39 4.8714e-01 17109 1 1 1 1 93 TYR HD1 6.722 . 6.93 0.3 4.8810e-01 17109 1 1 1 1 93 TYR HD2 6.722 . 6.93 0.3 4.8810e-01 17109 1 1 1 1 93 TYR HE1 6.482 . 6.7 0.23 3.4322e-01 17109 1 1 1 1 93 TYR HE2 6.482 . 6.71 0.23 3.2154e-01 17109 1 1 1 1 93 TYR N 122.729 . 120.52 4.2 5.9892e-01 17109 1 1 1 1 94 GLU C 17.060 A 176.87 1.95 0.0000e+00 17109 1 1 1 1 94 GLU CA 54.073 . 57.32 2.09 1.2028e-01 17109 1 1 1 1 94 GLU CB 33.787 . 30.01 1.72 2.8097e-02 17109 1 1 1 1 94 GLU CG 37.124 . 36.11 1.19 3.9416e-01 17109 1 1 1 1 94 GLU H 9.114 . 8.33 0.59 1.8391e-01 17109 1 1 1 1 94 GLU HA 4.901 . 4.25 0.41 1.1233e-01 17109 1 1 1 1 94 GLU HB2 1.922 . 2.02 0.21 6.4074e-01 17109 1 1 1 1 94 GLU HB3 1.838 . 1.99 0.23 5.0870e-01 17109 1 1 1 1 94 GLU HG2 2.077 . 2.27 0.21 3.5807e-01 17109 1 1 1 1 94 GLU HG3 1.924 . 2.25 0.22 1.3839e-01 17109 1 1 1 1 94 GLU N 121.240 . 120.67 3.48 8.6989e-01 17109 1 1 1 1 95 ILE C 16.261 A 175.85 1.92 0.0000e+00 17109 1 1 1 1 95 ILE CA 64.664 . 61.61 2.68 2.5447e-01 17109 1 1 1 1 95 ILE CB 37.472 . 38.63 2.02 5.6646e-01 17109 1 1 1 1 95 ILE CG1 24.334 . 27.71 1.68 4.4482e-02 17109 1 1 1 1 95 ILE CG2 17.549 . 17.53 1.36 9.8885e-01 17109 1 1 1 1 95 ILE CD1 14.249 . 13.43 1.67 6.2384e-01 17109 1 1 1 1 95 ILE H 9.293 . 8.28 0.68 1.3630e-01 17109 1 1 1 1 95 ILE HA 3.737 . 4.18 0.56 4.2890e-01 17109 1 1 1 1 95 ILE HB 1.978 . 1.78 0.29 4.9476e-01 17109 1 1 1 1 95 ILE HG12 1.209 . 1.28 0.4 8.5912e-01 17109 1 1 1 1 95 ILE HG21 0.795 . 0.77 0.27 9.2623e-01 17109 1 1 1 1 95 ILE HG22 0.795 . 0.77 0.27 9.2623e-01 17109 1 1 1 1 95 ILE HG23 0.795 . 0.77 0.27 9.2623e-01 17109 1 1 1 1 95 ILE HD11 0.767 . 0.68 0.29 7.6418e-01 17109 1 1 1 1 95 ILE HD12 0.767 . 0.68 0.29 7.6418e-01 17109 1 1 1 1 95 ILE HD13 0.767 . 0.68 0.29 7.6418e-01 17109 1 1 1 1 95 ILE N 128.345 . 121.46 4.28 1.0769e-01 17109 1 1 1 1 96 GLN C 14.674 A 176.31 1.95 0.0000e+00 17109 1 1 1 1 96 GLN CA 54.632 . 56.57 2.14 3.6514e-01 17109 1 1 1 1 96 GLN CB 31.165 . 29.19 1.82 2.7785e-01 17109 1 1 1 1 96 GLN CG 32.347 . 33.76 1.11 2.0303e-01 17109 1 1 1 1 96 GLN H 10.101 . 8.22 0.59 1.4319e-03 17109 1 1 1 1 96 GLN HA 4.831 . 4.27 0.44 2.0231e-01 17109 1 1 1 1 96 GLN HB2 2.153 . 2.05 0.25 6.8034e-01 17109 1 1 1 1 96 GLN HB3 2.042 . 2.02 0.28 9.3737e-01 17109 1 1 1 1 96 GLN HG2 2.342 . 2.32 0.27 9.3506e-01 17109 1 1 1 1 96 GLN N 127.034 . 119.89 3.6 4.7206e-02 17109 1 1 1 1 97 LYS C 13.200 A 176.64 2 0.0000e+00 17109 1 1 1 1 97 LYS CA 56.528 . 56.95 2.2 8.4788e-01 17109 1 1 1 1 97 LYS CB 36.462 . 32.79 1.78 3.9120e-02 17109 1 1 1 1 97 LYS CG 25.019 . 24.89 1.13 9.0911e-01 17109 1 1 1 1 97 LYS H 7.958 . 8.19 0.6 6.9900e-01 17109 1 1 1 1 97 LYS HA 4.658 . 4.27 0.44 3.7788e-01 17109 1 1 1 1 97 LYS HB2 1.739 . 1.78 0.25 8.6973e-01 17109 1 1 1 1 97 LYS HG2 1.334 . 1.37 0.26 8.8988e-01 17109 1 1 1 1 97 LYS HE2 2.877 . 2.92 0.19 8.2096e-01 17109 1 1 1 1 97 LYS N 120.642 . 121.05 3.77 9.1382e-01 17109 1 1 1 1 98 ILE C 15.821 A 175.85 1.92 0.0000e+00 17109 1 1 1 1 98 ILE CA 60.078 . 61.61 2.68 5.6756e-01 17109 1 1 1 1 98 ILE CB 42.082 . 38.63 2.02 8.7467e-02 17109 1 1 1 1 98 ILE CG1 27.991 . 27.71 1.68 8.6716e-01 17109 1 1 1 1 98 ILE CG2 16.427 . 17.53 1.36 4.1735e-01 17109 1 1 1 1 98 ILE CD1 21.413 S 13.43 1.67 1.7509e-06 17109 1 1 1 1 98 ILE H 8.458 . 8.28 0.68 7.9350e-01 17109 1 1 1 1 98 ILE HA 5.221 . 4.18 0.56 6.3037e-02 17109 1 1 1 1 98 ILE HB 1.459 . 1.78 0.29 2.6834e-01 17109 1 1 1 1 98 ILE HG12 1.347 . 1.28 0.4 8.6698e-01 17109 1 1 1 1 98 ILE HG21 0.506 . 0.77 0.27 3.2818e-01 17109 1 1 1 1 98 ILE HG22 0.506 . 0.77 0.27 3.2818e-01 17109 1 1 1 1 98 ILE HG23 0.506 . 0.77 0.27 3.2818e-01 17109 1 1 1 1 98 ILE HD11 0.936 . 0.68 0.29 3.7737e-01 17109 1 1 1 1 98 ILE HD12 0.936 . 0.68 0.29 3.7737e-01 17109 1 1 1 1 98 ILE HD13 0.936 . 0.68 0.29 3.7737e-01 17109 1 1 1 1 98 ILE N 124.929 . 121.46 4.28 4.1765e-01 17109 1 1 1 1 99 TRP C 10.353 A 176.12 2.01 0.0000e+00 17109 1 1 1 1 99 TRP CA 56.388 . 57.66 2.58 6.2200e-01 17109 1 1 1 1 99 TRP CB 31.158 . 30.01 2.01 5.6790e-01 17109 1 1 1 1 99 TRP CD1 125.125 . 126.51 1.83 4.4915e-01 17109 1 1 1 1 99 TRP H 9.284 . 8.29 0.79 2.0831e-01 17109 1 1 1 1 99 TRP HA 4.661 . 4.68 0.53 9.7140e-01 17109 1 1 1 1 99 TRP HB2 3.146 . 3.19 0.35 8.9996e-01 17109 1 1 1 1 99 TRP HB3 3.088 . 3.12 0.36 9.2917e-01 17109 1 1 1 1 99 TRP HD1 6.674 . 7.14 0.36 1.9551e-01 17109 1 1 1 1 99 TRP HE1 10.164 . 10.08 0.66 8.9872e-01 17109 1 1 1 1 99 TRP HE3 6.999 . 7.31 0.41 4.4813e-01 17109 1 1 1 1 99 TRP HZ3 6.727 . 6.86 0.4 7.3951e-01 17109 1 1 1 1 99 TRP N 129.003 . 121.68 4.18 7.9789e-02 17109 1 1 1 1 99 TRP NE1 129.308 . 129.32 2.11 9.9546e-01 17109 1 1 1 1 100 ILE C 16.258 A 175.85 1.92 0.0000e+00 17109 1 1 1 1 100 ILE CA 58.973 . 61.61 2.68 3.2514e-01 17109 1 1 1 1 100 ILE CB 40.734 . 38.63 2.02 2.9760e-01 17109 1 1 1 1 100 ILE CG1 28.706 . 27.71 1.68 5.5328e-01 17109 1 1 1 1 100 ILE CG2 17.990 . 17.53 1.36 7.3519e-01 17109 1 1 1 1 100 ILE CD1 13.717 . 13.43 1.67 8.6355e-01 17109 1 1 1 1 100 ILE H 7.778 . 8.28 0.68 4.6037e-01 17109 1 1 1 1 100 ILE HA 4.616 . 4.18 0.56 4.3623e-01 17109 1 1 1 1 100 ILE HB 1.238 . 1.78 0.29 6.1628e-02 17109 1 1 1 1 100 ILE HG12 1.042 . 1.28 0.4 5.5184e-01 17109 1 1 1 1 100 ILE HG13 0.117 . 1.19 0.41 8.8687e-03 17109 1 1 1 1 100 ILE HG21 0.542 . 0.77 0.27 3.9842e-01 17109 1 1 1 1 100 ILE HG22 0.542 . 0.77 0.27 3.9842e-01 17109 1 1 1 1 100 ILE HG23 0.542 . 0.77 0.27 3.9842e-01 17109 1 1 1 1 100 ILE HD11 0.350 . 0.68 0.29 2.5515e-01 17109 1 1 1 1 100 ILE HD12 0.350 . 0.68 0.29 2.5515e-01 17109 1 1 1 1 100 ILE HD13 0.350 . 0.68 0.29 2.5515e-01 17109 1 1 1 1 100 ILE N 117.553 . 121.46 4.28 3.6132e-01 17109 1 1 1 1 101 THR C 12.069 A 174.54 1.76 0.0000e+00 17109 1 1 1 1 101 THR CA 57.557 . 62.22 2.59 7.1800e-02 17109 1 1 1 1 101 THR CB 70.656 . 69.73 1.63 5.6997e-01 17109 1 1 1 1 101 THR CG2 17.868 S 21.55 1.11 9.0951e-04 17109 1 1 1 1 101 THR H 8.587 . 8.24 0.62 5.7570e-01 17109 1 1 1 1 101 THR HA 4.755 . 4.46 0.48 5.3883e-01 17109 1 1 1 1 101 THR HB 3.893 . 4.17 0.33 4.0125e-01 17109 1 1 1 1 101 THR HG21 0.893 . 1.14 0.23 2.8286e-01 17109 1 1 1 1 101 THR HG22 0.893 . 1.14 0.23 2.8286e-01 17109 1 1 1 1 101 THR HG23 0.893 . 1.14 0.23 2.8286e-01 17109 1 1 1 1 101 THR N 120.519 . 115.42 4.75 2.8306e-01 17109 1 1 1 1 102 HIS C 16.781 A 175.25 1.97 0.0000e+00 17109 1 1 1 1 102 HIS CA 54.593 . 56.52 2.31 4.0417e-01 17109 1 1 1 1 102 HIS CB 31.240 . 30.24 2.07 6.2903e-01 17109 1 1 1 1 102 HIS H 8.218 . 8.24 0.68 9.7419e-01 17109 1 1 1 1 102 HIS HA 5.402 . 4.61 0.43 6.5496e-02 17109 1 1 1 1 102 HIS HB2 3.277 . 3.1 0.36 6.2295e-01 17109 1 1 1 1 102 HIS HB3 3.236 . 3.04 0.38 6.0600e-01 17109 1 1 1 1 102 HIS N 119.885 . 119.69 4 9.6112e-01 17109 1 1 1 1 103 ALA C 17.587 A 177.74 2.13 0.0000e+00 17109 1 1 1 1 103 ALA CA 54.936 . 53.14 1.98 3.6437e-01 17109 1 1 1 1 103 ALA CB 17.981 . 19.01 1.83 5.7391e-01 17109 1 1 1 1 103 ALA H 8.423 . 8.2 0.6 7.1014e-01 17109 1 1 1 1 103 ALA HA 3.710 . 4.26 0.44 2.1130e-01 17109 1 1 1 1 103 ALA HB1 1.263 . 1.35 0.26 7.3792e-01 17109 1 1 1 1 103 ALA HB2 1.263 . 1.35 0.26 7.3792e-01 17109 1 1 1 1 103 ALA HB3 1.263 . 1.35 0.26 7.3792e-01 17109 1 1 1 1 103 ALA N 121.632 . 123.23 3.54 6.5169e-01 17109 1 1 1 1 104 ASP C 15.283 A 176.4 1.75 0.0000e+00 17109 1 1 1 1 104 ASP CA 53.070 . 54.69 2.03 4.2485e-01 17109 1 1 1 1 104 ASP CB 40.034 . 40.88 1.62 6.0152e-01 17109 1 1 1 1 104 ASP H 8.325 . 8.31 0.58 9.7937e-01 17109 1 1 1 1 104 ASP HA 4.603 . 4.59 0.32 9.6760e-01 17109 1 1 1 1 104 ASP HB2 2.732 . 2.72 0.26 9.6319e-01 17109 1 1 1 1 104 ASP HB3 2.658 . 2.66 0.28 9.9430e-01 17109 1 1 1 1 104 ASP N 114.513 . 120.65 3.86 1.1186e-01 17109 1 1 1 1 105 ASP C 17.674 A 176.4 1.75 0.0000e+00 17109 1 1 1 1 105 ASP CA 54.268 . 54.69 2.03 8.3532e-01 17109 1 1 1 1 105 ASP CB 39.846 . 40.88 1.62 5.2330e-01 17109 1 1 1 1 105 ASP H 7.051 . 8.31 0.58 2.9955e-02 17109 1 1 1 1 105 ASP HA 4.174 . 4.59 0.32 1.9360e-01 17109 1 1 1 1 105 ASP HB2 2.677 . 2.72 0.26 8.6864e-01 17109 1 1 1 1 105 ASP HB3 1.908 . 2.66 0.28 7.2375e-03 17109 1 1 1 1 105 ASP N 119.184 . 120.65 3.86 7.0410e-01 17109 1 1 1 1 106 ARG C 17.709 A 176.41 2.03 0.0000e+00 17109 1 1 1 1 106 ARG CA 55.888 . 56.77 2.31 7.0260e-01 17109 1 1 1 1 106 ARG CB 29.264 . 30.7 1.83 4.3263e-01 17109 1 1 1 1 106 ARG CG 26.669 . 27.21 1.2 6.5211e-01 17109 1 1 1 1 106 ARG CD 42.555 . 43.16 0.88 4.9177e-01 17109 1 1 1 1 106 ARG H 8.917 . 8.24 0.61 2.6707e-01 17109 1 1 1 1 106 ARG HA 4.368 . 4.3 0.46 8.8248e-01 17109 1 1 1 1 106 ARG HB2 2.056 . 1.79 0.27 3.2453e-01 17109 1 1 1 1 106 ARG HB3 1.678 . 1.76 0.28 7.6963e-01 17109 1 1 1 1 106 ARG HG2 1.732 . 1.57 0.27 5.4851e-01 17109 1 1 1 1 106 ARG HG3 1.666 . 1.54 0.29 6.6394e-01 17109 1 1 1 1 106 ARG HD2 3.119 . 3.12 0.24 9.9668e-01 17109 1 1 1 1 106 ARG N 127.834 . 120.8 3.68 5.5952e-02 17109 1 1 1 1 107 THR C 13.548 A 174.54 1.76 0.0000e+00 17109 1 1 1 1 107 THR CA 62.350 . 62.22 2.59 9.5997e-01 17109 1 1 1 1 107 THR CB 68.935 . 69.73 1.63 6.2574e-01 17109 1 1 1 1 107 THR CG2 20.849 . 21.55 1.11 5.2769e-01 17109 1 1 1 1 107 THR H 8.868 . 8.24 0.62 3.1111e-01 17109 1 1 1 1 107 THR HA 4.164 . 4.46 0.48 5.3745e-01 17109 1 1 1 1 107 THR HB 4.353 . 4.17 0.33 5.7921e-01 17109 1 1 1 1 107 THR HG21 1.121 . 1.14 0.23 9.3416e-01 17109 1 1 1 1 107 THR HG22 1.121 . 1.14 0.23 9.3416e-01 17109 1 1 1 1 107 THR HG23 1.121 . 1.14 0.23 9.3416e-01 17109 1 1 1 1 107 THR N 111.880 . 115.42 4.75 4.5611e-01 17109 1 1 1 1 108 VAL C 16.853 A 175.62 1.9 0.0000e+00 17109 1 1 1 1 108 VAL CA 63.878 . 62.49 2.86 6.2745e-01 17109 1 1 1 1 108 VAL CB 32.470 . 32.73 1.79 8.8451e-01 17109 1 1 1 1 108 VAL CG1 21.166 . 21.49 1.36 8.1170e-01 17109 1 1 1 1 108 VAL CG2 20.497 . 21.26 1.56 6.2477e-01 17109 1 1 1 1 108 VAL H 6.806 . 8.29 0.67 2.6765e-02 17109 1 1 1 1 108 VAL HA 3.942 . 4.19 0.58 6.6895e-01 17109 1 1 1 1 108 VAL HB 1.792 . 1.98 0.32 5.5687e-01 17109 1 1 1 1 108 VAL HG11 0.749 . 0.83 0.26 7.5539e-01 17109 1 1 1 1 108 VAL HG12 0.749 . 0.83 0.26 7.5539e-01 17109 1 1 1 1 108 VAL HG13 0.749 . 0.83 0.26 7.5539e-01 17109 1 1 1 1 108 VAL HG21 0.690 . 0.8 0.28 6.9442e-01 17109 1 1 1 1 108 VAL HG22 0.690 . 0.8 0.28 6.9442e-01 17109 1 1 1 1 108 VAL HG23 0.690 . 0.8 0.28 6.9442e-01 17109 1 1 1 1 108 VAL N 118.800 . 121.14 4.54 6.0626e-01 17109 1 1 1 1 109 ILE C 13.191 A 175.85 1.92 0.0000e+00 17109 1 1 1 1 109 ILE CA 60.963 . 61.61 2.68 8.0923e-01 17109 1 1 1 1 109 ILE CB 33.933 . 38.63 2.02 2.0059e-02 17109 1 1 1 1 109 ILE CG1 26.279 . 27.71 1.68 3.9433e-01 17109 1 1 1 1 109 ILE CG2 17.237 . 17.53 1.36 8.2942e-01 17109 1 1 1 1 109 ILE CD1 11.495 . 13.43 1.67 2.4659e-01 17109 1 1 1 1 109 ILE H 8.044 . 8.28 0.68 7.2855e-01 17109 1 1 1 1 109 ILE HA 3.465 . 4.18 0.56 2.0168e-01 17109 1 1 1 1 109 ILE HB 1.633 . 1.78 0.29 6.1223e-01 17109 1 1 1 1 109 ILE HG12 1.133 . 1.28 0.4 7.1325e-01 17109 1 1 1 1 109 ILE HG13 0.368 . 1.19 0.41 4.4976e-02 17109 1 1 1 1 109 ILE HG21 0.142 . 0.77 0.27 2.0023e-02 17109 1 1 1 1 109 ILE HG22 0.142 . 0.77 0.27 2.0023e-02 17109 1 1 1 1 109 ILE HG23 0.142 . 0.77 0.27 2.0023e-02 17109 1 1 1 1 109 ILE HD11 -0.075 . 0.68 0.29 9.2291e-03 17109 1 1 1 1 109 ILE HD12 -0.075 . 0.68 0.29 9.2291e-03 17109 1 1 1 1 109 ILE HD13 -0.075 . 0.68 0.29 9.2291e-03 17109 1 1 1 1 109 ILE N 120.219 . 121.46 4.28 7.7185e-01 17109 1 1 1 1 110 ILE C 14.405 A 175.85 1.92 0.0000e+00 17109 1 1 1 1 110 ILE CA 57.932 . 61.61 2.68 1.6994e-01 17109 1 1 1 1 110 ILE CB 42.146 . 38.63 2.02 8.1755e-02 17109 1 1 1 1 110 ILE CG1 24.516 . 27.71 1.68 5.7277e-02 17109 1 1 1 1 110 ILE CG2 13.689 . 17.53 1.36 4.7389e-03 17109 1 1 1 1 110 ILE CD1 17.361 . 13.43 1.67 1.8578e-02 17109 1 1 1 1 110 ILE H 6.877 . 8.28 0.68 3.9090e-02 17109 1 1 1 1 110 ILE HA 4.542 . 4.18 0.56 5.1800e-01 17109 1 1 1 1 110 ILE HB 1.881 . 1.78 0.29 7.2763e-01 17109 1 1 1 1 110 ILE HG12 1.142 . 1.28 0.4 7.3009e-01 17109 1 1 1 1 110 ILE HG13 0.948 . 1.19 0.41 5.5503e-01 17109 1 1 1 1 110 ILE HG21 0.783 . 0.77 0.27 9.6160e-01 17109 1 1 1 1 110 ILE HG22 0.783 . 0.77 0.27 9.6160e-01 17109 1 1 1 1 110 ILE HG23 0.783 . 0.77 0.27 9.6160e-01 17109 1 1 1 1 110 ILE HD11 0.717 . 0.68 0.29 8.9848e-01 17109 1 1 1 1 110 ILE HD12 0.717 . 0.68 0.29 8.9848e-01 17109 1 1 1 1 110 ILE HD13 0.717 . 0.68 0.29 8.9848e-01 17109 1 1 1 1 110 ILE N 118.810 . 121.46 4.28 5.3581e-01 17109 1 1 1 1 111 LYS C 16.528 A 176.64 2 0.0000e+00 17109 1 1 1 1 111 LYS CA 56.695 . 56.95 2.2 9.0772e-01 17109 1 1 1 1 111 LYS CB 33.092 . 32.79 1.78 8.6528e-01 17109 1 1 1 1 111 LYS CG 24.810 . 24.89 1.13 9.4356e-01 17109 1 1 1 1 111 LYS CD 29.229 . 28.96 1.08 8.0330e-01 17109 1 1 1 1 111 LYS CE 41.712 . 41.89 0.82 8.2815e-01 17109 1 1 1 1 111 LYS H 8.514 . 8.19 0.6 5.8920e-01 17109 1 1 1 1 111 LYS HA 4.609 . 4.27 0.44 4.4103e-01 17109 1 1 1 1 111 LYS HB2 1.705 . 1.78 0.25 7.6418e-01 17109 1 1 1 1 111 LYS HG2 1.456 . 1.37 0.26 7.4082e-01 17109 1 1 1 1 111 LYS HG3 1.346 . 1.35 0.28 9.8860e-01 17109 1 1 1 1 111 LYS HD2 1.669 . 1.61 0.22 7.8856e-01 17109 1 1 1 1 111 LYS HD3 1.624 . 1.6 0.22 9.1313e-01 17109 1 1 1 1 111 LYS HE2 2.944 . 2.92 0.19 8.9948e-01 17109 1 1 1 1 111 LYS N 123.169 . 121.05 3.77 5.7407e-01 17109 1 1 1 1 112 LYS C 15.996 A 176.64 2 0.0000e+00 17109 1 1 1 1 112 LYS CA 53.271 . 56.95 2.2 9.4471e-02 17109 1 1 1 1 112 LYS CB 36.089 . 32.79 1.78 6.3829e-02 17109 1 1 1 1 112 LYS CG 24.836 . 24.89 1.13 9.6189e-01 17109 1 1 1 1 112 LYS CD 24.771 S 28.96 1.08 1.0501e-04 17109 1 1 1 1 112 LYS CE 42.351 . 41.89 0.82 5.7398e-01 17109 1 1 1 1 112 LYS H 8.368 . 8.19 0.6 7.6672e-01 17109 1 1 1 1 112 LYS HA 4.726 . 4.27 0.44 3.0003e-01 17109 1 1 1 1 112 LYS HB2 1.850 . 1.78 0.25 7.7948e-01 17109 1 1 1 1 112 LYS HB3 1.626 . 1.74 0.27 6.7286e-01 17109 1 1 1 1 112 LYS HG2 1.099 . 1.37 0.26 2.9727e-01 17109 1 1 1 1 112 LYS HD2 0.576 S 1.61 0.22 2.6016e-06 17109 1 1 1 1 112 LYS HE2 2.189 S 2.92 0.19 1.1939e-04 17109 1 1 1 1 112 LYS HE3 2.086 S 2.91 0.2 3.7887e-05 17109 1 1 1 1 112 LYS N 121.364 . 121.05 3.77 9.3362e-01 17109 1 1 1 1 113 GLU C 14.477 A 176.87 1.95 0.0000e+00 17109 1 1 1 1 113 GLU CA 55.175 . 57.32 2.09 3.0474e-01 17109 1 1 1 1 113 GLU CB 29.097 . 30.01 1.72 5.9555e-01 17109 1 1 1 1 113 GLU CG 36.014 . 36.11 1.19 9.3570e-01 17109 1 1 1 1 113 GLU H 8.815 . 8.33 0.59 4.1106e-01 17109 1 1 1 1 113 GLU HA 4.372 . 4.25 0.41 7.6604e-01 17109 1 1 1 1 113 GLU HB2 2.295 . 2.02 0.21 1.9036e-01 17109 1 1 1 1 113 GLU HB3 1.726 . 1.99 0.23 2.5104e-01 17109 1 1 1 1 113 GLU HG2 2.203 . 2.27 0.21 7.4969e-01 17109 1 1 1 1 113 GLU HG3 2.125 . 2.25 0.22 5.6991e-01 17109 1 1 1 1 113 GLU N 119.360 . 120.67 3.48 7.0659e-01 17109 1 1 1 1 114 GLU C 12.378 A 176.87 1.95 0.0000e+00 17109 1 1 1 1 114 GLU CA 52.633 . 57.32 2.09 2.4924e-02 17109 1 1 1 1 114 GLU CB 30.487 . 30.01 1.72 7.8153e-01 17109 1 1 1 1 114 GLU CG 34.955 . 36.11 1.19 3.3175e-01 17109 1 1 1 1 114 GLU H 7.426 . 8.33 0.59 1.2547e-01 17109 1 1 1 1 114 GLU HA 4.701 . 4.25 0.41 2.7133e-01 17109 1 1 1 1 114 GLU HB2 1.954 . 2.02 0.21 7.5330e-01 17109 1 1 1 1 114 GLU HG2 2.011 . 2.27 0.21 2.1745e-01 17109 1 1 1 1 114 GLU HG3 1.895 . 2.25 0.22 1.0661e-01 17109 1 1 1 1 114 GLU N 117.663 . 120.67 3.48 3.8754e-01 17109 1 1 1 1 116 ILE C 12.992 A 175.85 1.92 0.0000e+00 17109 1 1 1 1 116 ILE CA 56.976 . 61.61 2.68 8.3790e-02 17109 1 1 1 1 116 ILE CB 41.420 . 38.63 2.02 1.6722e-01 17109 1 1 1 1 116 ILE CG1 26.424 . 27.71 1.68 4.4399e-01 17109 1 1 1 1 116 ILE CG2 17.672 . 17.53 1.36 9.1684e-01 17109 1 1 1 1 116 ILE CD1 9.887 . 13.43 1.67 3.3875e-02 17109 1 1 1 1 116 ILE H 7.830 . 8.28 0.68 5.0812e-01 17109 1 1 1 1 116 ILE HA 4.785 . 4.18 0.56 2.7998e-01 17109 1 1 1 1 116 ILE HB 1.489 . 1.78 0.29 3.1564e-01 17109 1 1 1 1 116 ILE HG12 1.360 . 1.28 0.4 8.4148e-01 17109 1 1 1 1 116 ILE HG13 0.992 . 1.19 0.41 6.2915e-01 17109 1 1 1 1 116 ILE HG21 0.750 . 0.77 0.27 9.4095e-01 17109 1 1 1 1 116 ILE HG22 0.750 . 0.77 0.27 9.4095e-01 17109 1 1 1 1 116 ILE HG23 0.750 . 0.77 0.27 9.4095e-01 17109 1 1 1 1 116 ILE HD11 0.645 . 0.68 0.29 9.0394e-01 17109 1 1 1 1 116 ILE HD12 0.645 . 0.68 0.29 9.0394e-01 17109 1 1 1 1 116 ILE HD13 0.645 . 0.68 0.29 9.0394e-01 17109 1 1 1 1 116 ILE N 130.249 . 121.46 4.28 4.0024e-02 17109 1 1 1 1 117 LEU C 14.488 A 176.99 1.98 0.0000e+00 17109 1 1 1 1 117 LEU CA 52.062 . 55.62 2.13 9.4836e-02 17109 1 1 1 1 117 LEU CB 45.447 . 42.31 1.88 9.5193e-02 17109 1 1 1 1 117 LEU CG 23.848 . 26.78 1.1 7.6884e-03 17109 1 1 1 1 117 LEU CD1 25.787 . 24.72 1.59 5.0218e-01 17109 1 1 1 1 117 LEU H 8.838 . 8.23 0.65 3.4959e-01 17109 1 1 1 1 117 LEU HA 5.307 . 4.32 0.47 3.5729e-02 17109 1 1 1 1 117 LEU HB2 0.840 . 1.61 0.34 2.3531e-02 17109 1 1 1 1 117 LEU HB3 0.098 S 1.52 0.36 7.8151e-05 17109 1 1 1 1 117 LEU HG 0.361 S 1.51 0.33 4.9802e-04 17109 1 1 1 1 117 LEU HD11 0.069 . 0.75 0.28 1.5010e-02 17109 1 1 1 1 117 LEU HD12 0.069 . 0.75 0.28 1.5010e-02 17109 1 1 1 1 117 LEU HD13 0.069 . 0.75 0.28 1.5010e-02 17109 1 1 1 1 117 LEU N 128.340 . 121.86 3.9 9.6605e-02 17109 1 1 1 1 118 THR C 13.169 A 174.54 1.76 0.0000e+00 17109 1 1 1 1 118 THR CA 60.596 . 62.22 2.59 5.3064e-01 17109 1 1 1 1 118 THR CB 68.558 . 69.73 1.63 4.7213e-01 17109 1 1 1 1 118 THR CG2 22.891 . 21.55 1.11 2.2701e-01 17109 1 1 1 1 118 THR H 8.950 . 8.24 0.62 2.5214e-01 17109 1 1 1 1 118 THR HA 5.448 . 4.46 0.48 3.9558e-02 17109 1 1 1 1 118 THR HB 3.660 . 4.17 0.33 1.2224e-01 17109 1 1 1 1 118 THR HG21 0.721 . 1.14 0.23 6.8495e-02 17109 1 1 1 1 118 THR HG22 0.721 . 1.14 0.23 6.8495e-02 17109 1 1 1 1 118 THR HG23 0.721 . 1.14 0.23 6.8495e-02 17109 1 1 1 1 118 THR N 125.436 . 115.42 4.75 3.4976e-02 17109 1 1 1 1 119 LEU C 14.404 A 176.99 1.98 0.0000e+00 17109 1 1 1 1 119 LEU CA 52.439 . 55.62 2.13 1.3533e-01 17109 1 1 1 1 119 LEU CB 44.373 . 42.31 1.88 2.7249e-01 17109 1 1 1 1 119 LEU CG 27.468 . 26.78 1.1 5.3167e-01 17109 1 1 1 1 119 LEU CD1 18.661 S 24.72 1.59 1.3858e-04 17109 1 1 1 1 119 LEU CD2 25.773 . 24.05 1.7 3.1081e-01 17109 1 1 1 1 119 LEU H 9.219 . 8.23 0.65 1.2812e-01 17109 1 1 1 1 119 LEU HA 5.103 . 4.32 0.47 9.5722e-02 17109 1 1 1 1 119 LEU HB2 1.473 . 1.61 0.34 6.8699e-01 17109 1 1 1 1 119 LEU HB3 0.970 . 1.52 0.36 1.2657e-01 17109 1 1 1 1 119 LEU HG 1.241 . 1.51 0.33 4.1499e-01 17109 1 1 1 1 119 LEU HD11 0.762 . 0.75 0.28 9.6582e-01 17109 1 1 1 1 119 LEU HD12 0.762 . 0.75 0.28 9.6582e-01 17109 1 1 1 1 119 LEU HD13 0.762 . 0.75 0.28 9.6582e-01 17109 1 1 1 1 119 LEU HD21 0.477 . 0.73 0.29 3.8298e-01 17109 1 1 1 1 119 LEU HD22 0.477 . 0.73 0.29 3.8298e-01 17109 1 1 1 1 119 LEU HD23 0.477 . 0.73 0.29 3.8298e-01 17109 1 1 1 1 119 LEU N 128.310 . 121.86 3.9 9.8159e-02 17109 1 1 1 1 120 THR C 12.735 A 174.54 1.76 0.0000e+00 17109 1 1 1 1 120 THR CA 57.360 . 62.22 2.59 6.0594e-02 17109 1 1 1 1 120 THR CB 70.136 . 69.73 1.63 8.0330e-01 17109 1 1 1 1 120 THR CG2 19.916 . 21.55 1.11 1.4100e-01 17109 1 1 1 1 120 THR H 8.640 . 8.24 0.62 5.1882e-01 17109 1 1 1 1 120 THR HA 5.590 . 4.46 0.48 1.8564e-02 17109 1 1 1 1 120 THR HB 3.653 . 4.17 0.33 1.1719e-01 17109 1 1 1 1 120 THR HG21 0.892 . 1.14 0.23 2.8092e-01 17109 1 1 1 1 120 THR HG22 0.892 . 1.14 0.23 2.8092e-01 17109 1 1 1 1 120 THR HG23 0.892 . 1.14 0.23 2.8092e-01 17109 1 1 1 1 120 THR N 117.487 . 115.42 4.75 6.6345e-01 17109 1 1 1 1 121 THR C 14.145 A 174.54 1.76 0.0000e+00 17109 1 1 1 1 121 THR CA 59.550 . 62.22 2.59 3.0259e-01 17109 1 1 1 1 121 THR CB 71.701 . 69.73 1.63 2.2658e-01 17109 1 1 1 1 121 THR CG2 22.856 . 21.55 1.11 2.3936e-01 17109 1 1 1 1 121 THR H 8.374 . 8.24 0.62 8.2889e-01 17109 1 1 1 1 121 THR HA 4.766 . 4.46 0.48 5.2380e-01 17109 1 1 1 1 121 THR HB 4.169 . 4.17 0.33 9.9758e-01 17109 1 1 1 1 121 THR HG21 0.456 . 1.14 0.23 2.9403e-03 17109 1 1 1 1 121 THR HG22 0.456 . 1.14 0.23 2.9403e-03 17109 1 1 1 1 121 THR HG23 0.456 . 1.14 0.23 2.9403e-03 17109 1 1 1 1 121 THR N 115.980 . 115.42 4.75 9.0615e-01 17109 1 1 1 1 125 PHE C 16.083 A 175.42 1.99 0.0000e+00 17109 1 1 1 1 125 PHE CA 58.918 . 58.08 2.57 7.4437e-01 17109 1 1 1 1 125 PHE CB 38.624 . 39.99 2.09 5.1338e-01 17109 1 1 1 1 125 PHE CD1 132.448 . 131.58 1.18 4.6198e-01 17109 1 1 1 1 125 PHE CE1 132.234 . 130.71 1.3 2.4107e-01 17109 1 1 1 1 125 PHE H 7.332 . 8.36 0.72 1.5336e-01 17109 1 1 1 1 125 PHE HA 4.420 . 4.63 0.57 7.1256e-01 17109 1 1 1 1 125 PHE HB2 3.271 . 3 0.37 4.6390e-01 17109 1 1 1 1 125 PHE HB3 2.669 . 2.93 0.4 5.1408e-01 17109 1 1 1 1 125 PHE HD1 7.336 . 7.06 0.31 3.7329e-01 17109 1 1 1 1 125 PHE HD2 7.336 . 7.06 0.31 3.7329e-01 17109 1 1 1 1 125 PHE HE1 6.972 . 7.08 0.31 7.2755e-01 17109 1 1 1 1 125 PHE HE2 6.972 . 7.08 0.32 7.3574e-01 17109 1 1 1 1 125 PHE N 120.612 . 120.45 4.18 9.6909e-01 17109 1 1 1 1 126 ASP C 15.285 A 176.4 1.75 0.0000e+00 17109 1 1 1 1 126 ASP CA 51.974 . 54.69 2.03 1.8092e-01 17109 1 1 1 1 126 ASP CB 39.454 . 40.88 1.62 3.7873e-01 17109 1 1 1 1 126 ASP H 8.170 . 8.31 0.58 8.0926e-01 17109 1 1 1 1 126 ASP HA 4.548 . 4.59 0.32 8.9558e-01 17109 1 1 1 1 126 ASP HB2 2.795 . 2.72 0.26 7.7299e-01 17109 1 1 1 1 126 ASP HB3 2.460 . 2.66 0.28 4.7505e-01 17109 1 1 1 1 126 ASP N 114.756 . 120.65 3.86 1.2678e-01 17109 1 1 1 1 127 TYR C 15.022 A 175.4 1.99 0.0000e+00 17109 1 1 1 1 127 TYR CA 58.734 . 58.13 2.51 8.0984e-01 17109 1 1 1 1 127 TYR CB 39.330 . 39.32 2.16 9.9631e-01 17109 1 1 1 1 127 TYR CD1 131.860 . 132.77 1.17 4.3670e-01 17109 1 1 1 1 127 TYR CE1 109.619 A 117.93 1.19 2.8682e-12 17109 1 1 1 1 127 TYR H 7.203 . 8.32 0.73 1.2598e-01 17109 1 1 1 1 127 TYR HA 3.974 . 4.63 0.56 2.4143e-01 17109 1 1 1 1 127 TYR HB2 2.765 . 2.91 0.37 6.9514e-01 17109 1 1 1 1 127 TYR HB3 2.690 . 2.84 0.39 7.0052e-01 17109 1 1 1 1 127 TYR HD1 6.743 . 6.93 0.3 5.3307e-01 17109 1 1 1 1 127 TYR HD2 6.743 . 6.93 0.3 5.3307e-01 17109 1 1 1 1 127 TYR HE1 6.595 . 6.7 0.23 6.4801e-01 17109 1 1 1 1 127 TYR HE2 6.595 . 6.71 0.23 6.1707e-01 17109 1 1 1 1 127 TYR N 121.170 . 120.52 4.2 8.7701e-01 17109 1 1 1 1 128 ILE C 14.579 A 175.85 1.92 0.0000e+00 17109 1 1 1 1 128 ILE CA 60.165 . 61.61 2.68 5.8976e-01 17109 1 1 1 1 128 ILE CB 37.120 . 38.63 2.02 4.5475e-01 17109 1 1 1 1 128 ILE CG1 26.425 . 27.71 1.68 4.4434e-01 17109 1 1 1 1 128 ILE CG2 17.969 . 17.53 1.36 7.4685e-01 17109 1 1 1 1 128 ILE CD1 13.938 . 13.43 1.67 7.6098e-01 17109 1 1 1 1 128 ILE H 7.643 . 8.28 0.68 3.4888e-01 17109 1 1 1 1 128 ILE HA 4.081 . 4.18 0.56 8.5968e-01 17109 1 1 1 1 128 ILE HB 1.566 . 1.78 0.29 4.6056e-01 17109 1 1 1 1 128 ILE HG12 1.365 . 1.28 0.4 8.3172e-01 17109 1 1 1 1 128 ILE HG13 0.993 . 1.19 0.41 6.3088e-01 17109 1 1 1 1 128 ILE HG21 0.689 . 0.77 0.27 7.6418e-01 17109 1 1 1 1 128 ILE HG22 0.689 . 0.77 0.27 7.6418e-01 17109 1 1 1 1 128 ILE HG23 0.689 . 0.77 0.27 7.6418e-01 17109 1 1 1 1 128 ILE HD11 0.677 . 0.68 0.29 9.9175e-01 17109 1 1 1 1 128 ILE HD12 0.677 . 0.68 0.29 9.9175e-01 17109 1 1 1 1 128 ILE HD13 0.677 . 0.68 0.29 9.9175e-01 17109 1 1 1 1 128 ILE N 127.293 . 121.46 4.28 1.7293e-01 17109 1 1 1 1 129 GLY C 12.992 A 173.87 1.88 0.0000e+00 17109 1 1 1 1 129 GLY CA 43.458 . 45.35 1.34 1.5797e-01 17109 1 1 1 1 129 GLY H 8.150 . 8.33 0.65 7.8184e-01 17109 1 1 1 1 129 GLY HA2 4.265 . 3.97 0.37 4.2528e-01 17109 1 1 1 1 129 GLY HA3 3.643 . 3.9 0.37 4.8731e-01 17109 1 1 1 1 129 GLY N 114.707 . 109.67 3.87 1.9307e-01 17109 1 1 1 1 130 ASP C 14.579 A 176.4 1.75 0.0000e+00 17109 1 1 1 1 130 ASP CA 53.344 . 54.69 2.03 5.0730e-01 17109 1 1 1 1 130 ASP CB 39.979 . 40.88 1.62 5.7809e-01 17109 1 1 1 1 130 ASP H 8.568 . 8.31 0.58 6.5644e-01 17109 1 1 1 1 130 ASP HA 4.639 . 4.59 0.32 8.7830e-01 17109 1 1 1 1 130 ASP HB2 2.543 . 2.72 0.26 4.9602e-01 17109 1 1 1 1 130 ASP N 122.165 . 120.65 3.86 6.9470e-01 17109 1 1 1 1 131 ALA C 16.791 A 177.74 2.13 0.0000e+00 17109 1 1 1 1 131 ALA CA 50.186 . 53.14 1.98 1.3572e-01 17109 1 1 1 1 131 ALA CB 17.692 . 19.01 1.83 4.7139e-01 17109 1 1 1 1 131 ALA H 8.272 . 8.2 0.6 9.0448e-01 17109 1 1 1 1 131 ALA HA 3.673 . 4.26 0.44 1.8217e-01 17109 1 1 1 1 131 ALA HB1 1.142 . 1.35 0.26 4.2371e-01 17109 1 1 1 1 131 ALA HB2 1.142 . 1.35 0.26 4.2371e-01 17109 1 1 1 1 131 ALA HB3 1.142 . 1.35 0.26 4.2371e-01 17109 1 1 1 1 131 ALA N 128.922 . 123.23 3.54 1.0785e-01 17109 1 1 1 1 133 ASP C 15.988 A 176.4 1.75 0.0000e+00 17109 1 1 1 1 133 ASP CA 53.067 . 54.69 2.03 4.2400e-01 17109 1 1 1 1 133 ASP CB 45.102 . 40.88 1.62 9.1560e-03 17109 1 1 1 1 133 ASP H 7.355 . 8.31 0.58 9.9650e-02 17109 1 1 1 1 133 ASP HA 5.512 . 4.59 0.32 3.9610e-03 17109 1 1 1 1 133 ASP HB2 2.658 . 2.72 0.26 8.1152e-01 17109 1 1 1 1 133 ASP HB3 2.588 . 2.66 0.28 7.9707e-01 17109 1 1 1 1 133 ASP N 117.308 . 120.65 3.86 3.8660e-01 17109 1 1 1 1 134 ARG C 12.288 A 176.41 2.03 0.0000e+00 17109 1 1 1 1 134 ARG CA 53.958 . 56.77 2.31 2.2348e-01 17109 1 1 1 1 134 ARG CB 33.787 . 30.7 1.83 9.1625e-02 17109 1 1 1 1 134 ARG H 9.303 . 8.24 0.61 8.1400e-02 17109 1 1 1 1 134 ARG HA 4.901 . 4.3 0.46 1.9137e-01 17109 1 1 1 1 134 ARG HB2 1.915 . 1.79 0.27 6.4339e-01 17109 1 1 1 1 134 ARG HB3 1.812 . 1.76 0.28 8.5267e-01 17109 1 1 1 1 134 ARG N 120.839 . 120.8 3.68 9.9154e-01 17109 1 1 1 1 136 ILE C 13.610 A 175.85 1.92 0.0000e+00 17109 1 1 1 1 136 ILE CA 58.968 . 61.61 2.68 3.2422e-01 17109 1 1 1 1 136 ILE CB 40.998 . 38.63 2.02 2.4109e-01 17109 1 1 1 1 136 ILE CG2 18.892 . 17.53 1.36 3.1660e-01 17109 1 1 1 1 136 ILE CD1 11.127 . 13.43 1.67 1.6788e-01 17109 1 1 1 1 136 ILE H 8.577 . 8.28 0.68 6.6228e-01 17109 1 1 1 1 136 ILE HA 4.133 . 4.18 0.56 9.3311e-01 17109 1 1 1 1 136 ILE HB 1.617 . 1.78 0.29 5.7407e-01 17109 1 1 1 1 136 ILE HG21 -0.200 S 0.77 0.27 3.2740e-04 17109 1 1 1 1 136 ILE HG22 -0.200 S 0.77 0.27 3.2740e-04 17109 1 1 1 1 136 ILE HG23 -0.200 S 0.77 0.27 3.2740e-04 17109 1 1 1 1 136 ILE HD11 0.000 . 0.68 0.29 1.9036e-02 17109 1 1 1 1 136 ILE HD12 0.000 . 0.68 0.29 1.9036e-02 17109 1 1 1 1 136 ILE HD13 0.000 . 0.68 0.29 1.9036e-02 17109 1 1 1 1 136 ILE N 128.458 . 121.46 4.28 1.0204e-01 17109 1 1 1 1 137 ILE C 13.524 A 175.85 1.92 0.0000e+00 17109 1 1 1 1 137 ILE CA 59.873 . 61.61 2.68 5.1690e-01 17109 1 1 1 1 137 ILE CB 40.767 . 38.63 2.02 2.9009e-01 17109 1 1 1 1 137 ILE CG1 27.215 . 27.71 1.68 7.6827e-01 17109 1 1 1 1 137 ILE CD1 15.136 . 13.43 1.67 3.0699e-01 17109 1 1 1 1 137 ILE H 8.281 . 8.28 0.68 9.9883e-01 17109 1 1 1 1 137 ILE HA 4.330 . 4.18 0.56 7.8881e-01 17109 1 1 1 1 137 ILE HB 1.625 . 1.78 0.29 5.9301e-01 17109 1 1 1 1 137 ILE HG12 1.277 . 1.28 0.4 9.9402e-01 17109 1 1 1 1 137 ILE HG21 0.048 . 0.77 0.27 7.4936e-03 17109 1 1 1 1 137 ILE HG22 0.048 . 0.77 0.27 7.4936e-03 17109 1 1 1 1 137 ILE HG23 0.048 . 0.77 0.27 7.4936e-03 17109 1 1 1 1 137 ILE HD11 0.925 . 0.68 0.29 3.9821e-01 17109 1 1 1 1 137 ILE HD12 0.925 . 0.68 0.29 3.9821e-01 17109 1 1 1 1 137 ILE HD13 0.925 . 0.68 0.29 3.9821e-01 17109 1 1 1 1 137 ILE N 123.623 . 121.46 4.28 6.1330e-01 17109 1 1 1 1 138 GLU C 15.383 A 176.87 1.95 0.0000e+00 17109 1 1 1 1 138 GLU CA 54.895 . 57.32 2.09 2.4593e-01 17109 1 1 1 1 138 GLU CB 33.904 . 30.01 1.72 2.3577e-02 17109 1 1 1 1 138 GLU CG 38.315 . 36.11 1.19 6.3891e-02 17109 1 1 1 1 138 GLU H 9.159 . 8.33 0.59 1.6000e-01 17109 1 1 1 1 138 GLU HA 5.219 . 4.25 0.41 1.8107e-02 17109 1 1 1 1 138 GLU HB2 2.171 . 2.02 0.21 4.7211e-01 17109 1 1 1 1 138 GLU HG2 1.803 . 2.27 0.21 2.6161e-02 17109 1 1 1 1 138 GLU N 126.853 . 120.67 3.48 7.5614e-02 17109 1 1 1 1 139 ALA C 13.789 A 177.74 2.13 0.0000e+00 17109 1 1 1 1 139 ALA CA 50.197 . 53.14 1.98 1.3718e-01 17109 1 1 1 1 139 ALA CB 24.262 . 19.01 1.83 4.1054e-03 17109 1 1 1 1 139 ALA H 10.313 S 8.2 0.6 4.2884e-04 17109 1 1 1 1 139 ALA HA 5.231 . 4.26 0.44 2.7327e-02 17109 1 1 1 1 139 ALA HB1 1.201 . 1.35 0.26 5.6659e-01 17109 1 1 1 1 139 ALA HB2 1.201 . 1.35 0.26 5.6659e-01 17109 1 1 1 1 139 ALA HB3 1.201 . 1.35 0.26 5.6659e-01 17109 1 1 1 1 139 ALA N 132.616 . 123.23 3.54 8.0156e-03 17109 1 1 1 1 140 LYS C 15.807 A 176.64 2 0.0000e+00 17109 1 1 1 1 140 LYS CA 54.250 . 56.95 2.2 2.1972e-01 17109 1 1 1 1 140 LYS CB 34.937 . 32.79 1.78 2.2775e-01 17109 1 1 1 1 140 LYS CG 24.286 . 24.89 1.13 5.9299e-01 17109 1 1 1 1 140 LYS CD 28.930 . 28.96 1.08 9.7784e-01 17109 1 1 1 1 140 LYS CE 41.488 . 41.89 0.82 6.2396e-01 17109 1 1 1 1 140 LYS H 8.498 . 8.19 0.6 6.0772e-01 17109 1 1 1 1 140 LYS HA 5.062 . 4.27 0.44 7.1861e-02 17109 1 1 1 1 140 LYS HB2 1.868 . 1.78 0.25 7.2484e-01 17109 1 1 1 1 140 LYS HB3 1.745 . 1.74 0.27 9.8523e-01 17109 1 1 1 1 140 LYS HG2 1.479 . 1.37 0.26 6.7505e-01 17109 1 1 1 1 140 LYS HG3 1.375 . 1.35 0.28 9.2886e-01 17109 1 1 1 1 140 LYS HD2 1.611 . 1.61 0.22 9.9637e-01 17109 1 1 1 1 140 LYS HE2 2.880 . 2.92 0.19 8.3326e-01 17109 1 1 1 1 140 LYS N 120.511 . 121.05 3.77 8.8631e-01 17109 1 1 1 1 141 LEU C 17.236 A 176.99 1.98 0.0000e+00 17109 1 1 1 1 141 LEU CA 56.169 . 55.62 2.13 7.9660e-01 17109 1 1 1 1 141 LEU CB 42.408 . 42.31 1.88 9.5843e-01 17109 1 1 1 1 141 LEU CG 28.354 . 26.78 1.1 1.5246e-01 17109 1 1 1 1 141 LEU CD1 26.133 . 24.72 1.59 3.7418e-01 17109 1 1 1 1 141 LEU CD2 23.646 . 24.05 1.7 8.1215e-01 17109 1 1 1 1 141 LEU H 7.554 . 8.23 0.65 2.9834e-01 17109 1 1 1 1 141 LEU HA 4.107 . 4.32 0.47 6.5041e-01 17109 1 1 1 1 141 LEU HB2 1.848 . 1.61 0.34 4.8393e-01 17109 1 1 1 1 141 LEU HB3 1.415 . 1.52 0.36 7.7054e-01 17109 1 1 1 1 141 LEU HG 2.231 . 1.51 0.33 2.8900e-02 17109 1 1 1 1 141 LEU HD11 0.914 . 0.75 0.28 5.5807e-01 17109 1 1 1 1 141 LEU HD12 0.914 . 0.75 0.28 5.5807e-01 17109 1 1 1 1 141 LEU HD13 0.914 . 0.75 0.28 5.5807e-01 17109 1 1 1 1 141 LEU HD21 0.645 . 0.73 0.29 7.6944e-01 17109 1 1 1 1 141 LEU HD22 0.645 . 0.73 0.29 7.6944e-01 17109 1 1 1 1 141 LEU HD23 0.645 . 0.73 0.29 7.6944e-01 17109 1 1 1 1 141 LEU N 126.406 . 121.86 3.9 2.4376e-01 17109 1 1 1 1 142 THR C 15.187 A 174.54 1.76 0.0000e+00 17109 1 1 1 1 142 THR CA 60.915 . 62.22 2.59 6.1436e-01 17109 1 1 1 1 142 THR CB 69.490 . 69.73 1.63 8.8294e-01 17109 1 1 1 1 142 THR CG2 22.349 . 21.55 1.11 4.7164e-01 17109 1 1 1 1 142 THR H 9.562 . 8.24 0.62 3.2986e-02 17109 1 1 1 1 142 THR HA 4.552 . 4.46 0.48 8.4800e-01 17109 1 1 1 1 142 THR HB 4.259 . 4.17 0.33 7.8739e-01 17109 1 1 1 1 142 THR HG21 1.148 . 1.14 0.23 9.7225e-01 17109 1 1 1 1 142 THR HG22 1.148 . 1.14 0.23 9.7225e-01 17109 1 1 1 1 142 THR HG23 1.148 . 1.14 0.23 9.7225e-01 17109 1 1 1 1 142 THR N 119.300 . 115.42 4.75 4.1402e-01 17109 1 1 1 1 143 GLY C 10.713 A 173.87 1.88 0.0000e+00 17109 1 1 1 1 143 GLY CA 45.254 . 45.35 1.34 9.4289e-01 17109 1 1 1 1 143 GLY H 7.520 . 8.33 0.65 2.1271e-01 17109 1 1 1 1 143 GLY HA2 4.010 . 3.97 0.37 9.1391e-01 17109 1 1 1 1 143 GLY HA3 3.966 . 3.9 0.37 8.5843e-01 17109 1 1 1 1 143 GLY N 109.946 . 109.67 3.87 9.4315e-01 17109 1 1 1 1 144 SER C 13.178 A 174.62 1.72 0.0000e+00 17109 1 1 1 1 144 SER CA 56.393 . 58.72 2.07 2.6095e-01 17109 1 1 1 1 144 SER CB 65.587 . 63.8 1.48 2.2727e-01 17109 1 1 1 1 144 SER H 7.896 . 8.28 0.59 5.1515e-01 17109 1 1 1 1 144 SER HA 5.059 . 4.48 0.4 1.4776e-01 17109 1 1 1 1 144 SER HB2 3.544 . 3.88 0.25 1.7895e-01 17109 1 1 1 1 144 SER HB3 3.172 . 3.85 0.27 1.2035e-02 17109 1 1 1 1 144 SER N 112.778 . 116.28 3.52 3.1979e-01 17109 1 1 1 1 147 LYS C 18.496 A 176.64 2 0.0000e+00 17109 1 1 1 1 147 LYS CA 57.693 . 56.95 2.2 7.3557e-01 17109 1 1 1 1 147 LYS CB 32.915 . 32.79 1.78 9.4402e-01 17109 1 1 1 1 147 LYS H 7.964 . 8.19 0.6 7.0642e-01 17109 1 1 1 1 147 LYS HA 4.088 . 4.27 0.44 6.7914e-01 17109 1 1 1 1 147 LYS HB2 1.746 . 1.78 0.25 8.9182e-01 17109 1 1 1 1 147 LYS HB3 1.585 . 1.74 0.27 5.6592e-01 17109 1 1 1 1 147 LYS N 128.709 . 121.05 3.77 4.2198e-02 17109 1 stop_ loop_ _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 8 THR THR 0.89 17109 1 1 1 1 8 THR CYS 0.1 17109 1 1 1 1 9 GLU GLU 0.36 17109 1 1 1 1 9 GLU CYS 0.27 17109 1 1 1 1 9 GLU LYS 0.13 17109 1 1 1 1 9 GLU GLN 0.13 17109 1 1 1 1 9 GLU MET 0.06 17109 1 1 1 1 9 GLU ILE 0.01 17109 1 1 1 1 10 HIS GLN 0.17 17109 1 1 1 1 10 HIS HIS 0.16 17109 1 1 1 1 10 HIS LYS 0.14 17109 1 1 1 1 10 HIS CYS 0.13 17109 1 1 1 1 10 HIS TRP 0.11 17109 1 1 1 1 10 HIS ARG 0.1 17109 1 1 1 1 10 HIS GLU 0.08 17109 1 1 1 1 10 HIS MET 0.04 17109 1 1 1 1 10 HIS LEU 0.04 17109 1 1 1 1 11 LYS LYS 0.61 17109 1 1 1 1 11 LYS CYS 0.32 17109 1 1 1 1 11 LYS ARG 0.05 17109 1 1 1 1 12 GLU GLU 0.37 17109 1 1 1 1 12 GLU CYS 0.35 17109 1 1 1 1 12 GLU ILE 0.12 17109 1 1 1 1 12 GLU LYS 0.08 17109 1 1 1 1 12 GLU GLN 0.03 17109 1 1 1 1 12 GLU MET 0.01 17109 1 1 1 1 13 GLY GLY 0.82 17109 1 1 1 1 13 GLY LEU 0.1 17109 1 1 1 1 13 GLY CYS 0.02 17109 1 1 1 1 13 GLY ARG 0.01 17109 1 1 1 1 13 GLY PHE 0.01 17109 1 1 1 1 14 GLU GLU 0.39 17109 1 1 1 1 14 GLU CYS 0.35 17109 1 1 1 1 14 GLU MET 0.18 17109 1 1 1 1 14 GLU GLN 0.03 17109 1 1 1 1 14 GLU LYS 0.02 17109 1 1 1 1 15 LYS LYS 0.5 17109 1 1 1 1 15 LYS CYS 0.49 17109 1 1 1 1 16 VAL CYS 0.96 17109 1 1 1 1 16 VAL VAL 0.03 17109 1 1 1 1 17 ALA LEU 0.45 17109 1 1 1 1 17 ALA ALA 0.35 17109 1 1 1 1 17 ALA CYS 0.14 17109 1 1 1 1 17 ALA LYS 0.03 17109 1 1 1 1 18 MET MET 0.35 17109 1 1 1 1 18 MET CYS 0.27 17109 1 1 1 1 18 MET GLU 0.16 17109 1 1 1 1 18 MET GLN 0.16 17109 1 1 1 1 18 MET LYS 0.03 17109 1 1 1 1 19 LEU ALA 0.47 17109 1 1 1 1 19 LEU GLY 0.4 17109 1 1 1 1 19 LEU CYS 0.11 17109 1 1 1 1 20 ASN ASP 0.37 17109 1 1 1 1 20 ASN ASN 0.29 17109 1 1 1 1 20 ASN LEU 0.15 17109 1 1 1 1 20 ASN CYS 0.06 17109 1 1 1 1 20 ASN PHE 0.04 17109 1 1 1 1 20 ASN LYS 0.03 17109 1 1 1 1 20 ASN TYR 0.02 17109 1 1 1 1 21 ILE CYS 0.64 17109 1 1 1 1 21 ILE ILE 0.32 17109 1 1 1 1 21 ILE ALA 0.03 17109 1 1 1 1 24 LEU LEU 0.44 17109 1 1 1 1 24 LEU ALA 0.34 17109 1 1 1 1 24 LEU CYS 0.15 17109 1 1 1 1 24 LEU ARG 0.03 17109 1 1 1 1 24 LEU GLY 0.02 17109 1 1 1 1 25 LYS CYS 0.5 17109 1 1 1 1 25 LYS LYS 0.29 17109 1 1 1 1 25 LYS ARG 0.16 17109 1 1 1 1 25 LYS LEU 0.02 17109 1 1 1 1 26 LYS CYS 0.7 17109 1 1 1 1 26 LYS LYS 0.2 17109 1 1 1 1 26 LYS ARG 0.05 17109 1 1 1 1 26 LYS ALA 0.01 17109 1 1 1 1 27 LYS CYS 0.57 17109 1 1 1 1 27 LYS LYS 0.4 17109 1 1 1 1 27 LYS ALA 0.01 17109 1 1 1 1 28 PHE PHE 0.41 17109 1 1 1 1 28 PHE TYR 0.38 17109 1 1 1 1 28 PHE CYS 0.15 17109 1 1 1 1 28 PHE GLY 0.04 17109 1 1 1 1 29 SER SER 0.99 17109 1 1 1 1 30 ILE CYS 0.56 17109 1 1 1 1 30 ILE ILE 0.38 17109 1 1 1 1 30 ILE ALA 0.05 17109 1 1 1 1 31 TYR PHE 0.74 17109 1 1 1 1 31 TYR CYS 0.25 17109 1 1 1 1 32 TRP CYS 0.99 17109 1 1 1 1 33 GLY GLY 0.53 17109 1 1 1 1 33 GLY LEU 0.23 17109 1 1 1 1 33 GLY ARG 0.11 17109 1 1 1 1 33 GLY CYS 0.04 17109 1 1 1 1 33 GLY PHE 0.02 17109 1 1 1 1 33 GLY ASP 0.02 17109 1 1 1 1 33 GLY TYR 0.01 17109 1 1 1 1 34 ALA ALA 0.94 17109 1 1 1 1 34 ALA MET 0.03 17109 1 1 1 1 34 ALA CYS 0.01 17109 1 1 1 1 35 ASP ASP 0.35 17109 1 1 1 1 35 ASP LEU 0.23 17109 1 1 1 1 35 ASP ASN 0.12 17109 1 1 1 1 35 ASP LYS 0.09 17109 1 1 1 1 35 ASP PHE 0.06 17109 1 1 1 1 35 ASP CYS 0.04 17109 1 1 1 1 35 ASP TYR 0.04 17109 1 1 1 1 35 ASP ARG 0.02 17109 1 1 1 1 36 ASP ASP 0.24 17109 1 1 1 1 36 ASP ASN 0.17 17109 1 1 1 1 36 ASP PHE 0.16 17109 1 1 1 1 36 ASP TYR 0.15 17109 1 1 1 1 36 ASP LEU 0.13 17109 1 1 1 1 36 ASP CYS 0.09 17109 1 1 1 1 36 ASP ILE 0.01 17109 1 1 1 1 37 ALA ALA 0.58 17109 1 1 1 1 37 ALA MET 0.38 17109 1 1 1 1 37 ALA CYS 0.01 17109 1 1 1 1 37 ALA ILE 0.01 17109 1 1 1 1 43 VAL VAL 0.35 17109 1 1 1 1 43 VAL CYS 0.28 17109 1 1 1 1 43 VAL PRO 0.08 17109 1 1 1 1 43 VAL LYS 0.06 17109 1 1 1 1 43 VAL TRP 0.05 17109 1 1 1 1 43 VAL ARG 0.03 17109 1 1 1 1 43 VAL MET 0.03 17109 1 1 1 1 43 VAL GLN 0.03 17109 1 1 1 1 43 VAL HIS 0.02 17109 1 1 1 1 43 VAL GLU 0.01 17109 1 1 1 1 44 GLY GLY 0.43 17109 1 1 1 1 44 GLY LEU 0.26 17109 1 1 1 1 44 GLY ARG 0.16 17109 1 1 1 1 44 GLY CYS 0.04 17109 1 1 1 1 44 GLY PHE 0.03 17109 1 1 1 1 44 GLY ASP 0.03 17109 1 1 1 1 44 GLY TYR 0.01 17109 1 1 1 1 45 MET MET 0.35 17109 1 1 1 1 45 MET CYS 0.25 17109 1 1 1 1 45 MET GLN 0.22 17109 1 1 1 1 45 MET GLU 0.11 17109 1 1 1 1 45 MET LYS 0.04 17109 1 1 1 1 46 PHE TYR 0.5 17109 1 1 1 1 46 PHE PHE 0.29 17109 1 1 1 1 46 PHE CYS 0.19 17109 1 1 1 1 47 VAL CYS 0.85 17109 1 1 1 1 47 VAL VAL 0.13 17109 1 1 1 1 48 SER SER 0.97 17109 1 1 1 1 48 SER THR 0.02 17109 1 1 1 1 49 ASP ASP 0.26 17109 1 1 1 1 49 ASP PHE 0.16 17109 1 1 1 1 49 ASP LEU 0.15 17109 1 1 1 1 49 ASP TYR 0.14 17109 1 1 1 1 49 ASP ASN 0.13 17109 1 1 1 1 49 ASP CYS 0.08 17109 1 1 1 1 49 ASP LYS 0.02 17109 1 1 1 1 49 ASP ILE 0.01 17109 1 1 1 1 50 VAL CYS 0.72 17109 1 1 1 1 50 VAL VAL 0.26 17109 1 1 1 1 51 THR THR 0.56 17109 1 1 1 1 51 THR CYS 0.42 17109 1 1 1 1 51 THR ALA 0.01 17109 1 1 1 1 52 THR CYS 0.69 17109 1 1 1 1 52 THR THR 0.27 17109 1 1 1 1 52 THR ALA 0.03 17109 1 1 1 1 53 THR THR 0.62 17109 1 1 1 1 53 THR CYS 0.3 17109 1 1 1 1 53 THR SER 0.07 17109 1 1 1 1 55 SER SER 0.99 17109 1 1 1 1 56 GLY GLY 0.81 17109 1 1 1 1 56 GLY LEU 0.1 17109 1 1 1 1 56 GLY CYS 0.03 17109 1 1 1 1 56 GLY ARG 0.01 17109 1 1 1 1 56 GLY PHE 0.01 17109 1 1 1 1 57 GLY GLY 0.88 17109 1 1 1 1 57 GLY LEU 0.05 17109 1 1 1 1 57 GLY CYS 0.04 17109 1 1 1 1 58 GLY ARG 0.36 17109 1 1 1 1 58 GLY LEU 0.3 17109 1 1 1 1 58 GLY GLY 0.12 17109 1 1 1 1 58 GLY ASP 0.05 17109 1 1 1 1 58 GLY PHE 0.05 17109 1 1 1 1 58 GLY CYS 0.03 17109 1 1 1 1 58 GLY TYR 0.02 17109 1 1 1 1 58 GLY LYS 0.02 17109 1 1 1 1 59 HIS TRP 0.56 17109 1 1 1 1 59 HIS CYS 0.35 17109 1 1 1 1 59 HIS HIS 0.08 17109 1 1 1 1 60 THR THR 0.86 17109 1 1 1 1 60 THR CYS 0.13 17109 1 1 1 1 61 VAL CYS 0.65 17109 1 1 1 1 61 VAL VAL 0.34 17109 1 1 1 1 62 LEU LEU 0.51 17109 1 1 1 1 62 LEU GLY 0.26 17109 1 1 1 1 62 LEU CYS 0.12 17109 1 1 1 1 62 LEU ARG 0.05 17109 1 1 1 1 62 LEU ALA 0.04 17109 1 1 1 1 63 SER SER 0.99 17109 1 1 1 1 64 GLY GLY 0.86 17109 1 1 1 1 64 GLY LEU 0.08 17109 1 1 1 1 64 GLY CYS 0.02 17109 1 1 1 1 74 GLY GLY 0.86 17109 1 1 1 1 74 GLY LEU 0.08 17109 1 1 1 1 74 GLY CYS 0.02 17109 1 1 1 1 75 GLN GLN 0.3 17109 1 1 1 1 75 GLN LYS 0.28 17109 1 1 1 1 75 GLN CYS 0.24 17109 1 1 1 1 75 GLN MET 0.06 17109 1 1 1 1 75 GLN GLU 0.05 17109 1 1 1 1 75 GLN ARG 0.03 17109 1 1 1 1 76 LEU LEU 0.67 17109 1 1 1 1 76 LEU CYS 0.25 17109 1 1 1 1 76 LEU ARG 0.05 17109 1 1 1 1 77 LYS CYS 0.52 17109 1 1 1 1 77 LYS LYS 0.39 17109 1 1 1 1 77 LYS ARG 0.06 17109 1 1 1 1 77 LYS ALA 0.01 17109 1 1 1 1 77 LYS GLY 0.01 17109 1 1 1 1 78 GLU CYS 0.36 17109 1 1 1 1 78 GLU GLU 0.27 17109 1 1 1 1 78 GLU ILE 0.26 17109 1 1 1 1 78 GLU LYS 0.05 17109 1 1 1 1 78 GLU GLN 0.02 17109 1 1 1 1 79 LYS CYS 0.54 17109 1 1 1 1 79 LYS LYS 0.29 17109 1 1 1 1 79 LYS ARG 0.15 17109 1 1 1 1 80 ASP LEU 0.24 17109 1 1 1 1 80 ASP LYS 0.21 17109 1 1 1 1 80 ASP ASP 0.19 17109 1 1 1 1 80 ASP PHE 0.11 17109 1 1 1 1 80 ASP TYR 0.08 17109 1 1 1 1 80 ASP ARG 0.06 17109 1 1 1 1 80 ASP CYS 0.05 17109 1 1 1 1 80 ASP ASN 0.02 17109 1 1 1 1 81 THR THR 0.79 17109 1 1 1 1 81 THR CYS 0.2 17109 1 1 1 1 82 LEU GLY 0.59 17109 1 1 1 1 82 LEU LEU 0.24 17109 1 1 1 1 82 LEU CYS 0.15 17109 1 1 1 1 83 VAL CYS 0.5 17109 1 1 1 1 83 VAL VAL 0.47 17109 1 1 1 1 83 VAL ILE 0.01 17109 1 1 1 1 84 LEU GLY 0.47 17109 1 1 1 1 84 LEU CYS 0.39 17109 1 1 1 1 84 LEU LEU 0.12 17109 1 1 1 1 85 GLU GLU 0.32 17109 1 1 1 1 85 GLU CYS 0.29 17109 1 1 1 1 85 GLU MET 0.23 17109 1 1 1 1 85 GLU GLN 0.09 17109 1 1 1 1 85 GLU LYS 0.03 17109 1 1 1 1 87 ASP ASP 0.25 17109 1 1 1 1 87 ASP ASN 0.24 17109 1 1 1 1 87 ASP PHE 0.13 17109 1 1 1 1 87 ASP TYR 0.12 17109 1 1 1 1 87 ASP LEU 0.11 17109 1 1 1 1 87 ASP CYS 0.09 17109 1 1 1 1 87 ASP ILE 0.01 17109 1 1 1 1 88 ASN ASN 0.32 17109 1 1 1 1 88 ASN CYS 0.19 17109 1 1 1 1 88 ASN TYR 0.12 17109 1 1 1 1 88 ASN GLU 0.11 17109 1 1 1 1 88 ASN PHE 0.09 17109 1 1 1 1 88 ASN MET 0.05 17109 1 1 1 1 88 ASN ASP 0.04 17109 1 1 1 1 88 ASN LEU 0.01 17109 1 1 1 1 88 ASN ILE 0.01 17109 1 1 1 1 89 LYS CYS 0.51 17109 1 1 1 1 89 LYS LYS 0.37 17109 1 1 1 1 89 LYS ARG 0.09 17109 1 1 1 1 90 THR THR 0.88 17109 1 1 1 1 90 THR CYS 0.11 17109 1 1 1 1 91 TYR CYS 0.95 17109 1 1 1 1 91 TYR PHE 0.03 17109 1 1 1 1 92 THR THR 0.89 17109 1 1 1 1 92 THR CYS 0.1 17109 1 1 1 1 93 TYR CYS 0.73 17109 1 1 1 1 93 TYR GLY 0.16 17109 1 1 1 1 93 TYR PHE 0.1 17109 1 1 1 1 94 GLU CYS 0.74 17109 1 1 1 1 94 GLU MET 0.16 17109 1 1 1 1 94 GLU GLU 0.08 17109 1 1 1 1 95 ILE ILE 0.73 17109 1 1 1 1 95 ILE CYS 0.26 17109 1 1 1 1 96 GLN MET 0.44 17109 1 1 1 1 96 GLN CYS 0.29 17109 1 1 1 1 96 GLN GLN 0.16 17109 1 1 1 1 96 GLN LYS 0.08 17109 1 1 1 1 97 LYS CYS 0.65 17109 1 1 1 1 97 LYS LYS 0.21 17109 1 1 1 1 97 LYS ILE 0.05 17109 1 1 1 1 97 LYS GLU 0.03 17109 1 1 1 1 97 LYS LEU 0.01 17109 1 1 1 1 97 LYS GLN 0.01 17109 1 1 1 1 98 ILE CYS 0.97 17109 1 1 1 1 98 ILE GLY 0.02 17109 1 1 1 1 99 TRP CYS 0.38 17109 1 1 1 1 99 TRP TRP 0.35 17109 1 1 1 1 99 TRP HIS 0.26 17109 1 1 1 1 100 ILE CYS 0.5 17109 1 1 1 1 100 ILE ILE 0.48 17109 1 1 1 1 101 THR ALA 0.56 17109 1 1 1 1 101 THR CYS 0.41 17109 1 1 1 1 101 THR THR 0.01 17109 1 1 1 1 102 HIS MET 0.16 17109 1 1 1 1 102 HIS HIS 0.16 17109 1 1 1 1 102 HIS ARG 0.15 17109 1 1 1 1 102 HIS CYS 0.13 17109 1 1 1 1 102 HIS TRP 0.1 17109 1 1 1 1 102 HIS LYS 0.09 17109 1 1 1 1 102 HIS GLN 0.08 17109 1 1 1 1 102 HIS GLU 0.08 17109 1 1 1 1 103 ALA MET 0.53 17109 1 1 1 1 103 ALA ALA 0.4 17109 1 1 1 1 103 ALA ILE 0.03 17109 1 1 1 1 103 ALA CYS 0.02 17109 1 1 1 1 104 ASP ASN 0.35 17109 1 1 1 1 104 ASP ASP 0.31 17109 1 1 1 1 104 ASP LEU 0.11 17109 1 1 1 1 104 ASP PHE 0.07 17109 1 1 1 1 104 ASP CYS 0.06 17109 1 1 1 1 104 ASP TYR 0.06 17109 1 1 1 1 105 ASP ASP 0.28 17109 1 1 1 1 105 ASP ASN 0.26 17109 1 1 1 1 105 ASP LEU 0.12 17109 1 1 1 1 105 ASP PHE 0.11 17109 1 1 1 1 105 ASP TYR 0.1 17109 1 1 1 1 105 ASP CYS 0.08 17109 1 1 1 1 106 ARG ARG 0.38 17109 1 1 1 1 106 ARG CYS 0.3 17109 1 1 1 1 106 ARG LYS 0.22 17109 1 1 1 1 106 ARG LEU 0.07 17109 1 1 1 1 106 ARG GLY 0.01 17109 1 1 1 1 107 THR THR 0.92 17109 1 1 1 1 107 THR CYS 0.07 17109 1 1 1 1 108 VAL VAL 0.79 17109 1 1 1 1 108 VAL CYS 0.2 17109 1 1 1 1 109 ILE CYS 0.79 17109 1 1 1 1 109 ILE ILE 0.2 17109 1 1 1 1 110 ILE CYS 0.88 17109 1 1 1 1 110 ILE ALA 0.07 17109 1 1 1 1 110 ILE GLY 0.03 17109 1 1 1 1 111 LYS LYS 0.49 17109 1 1 1 1 111 LYS CYS 0.43 17109 1 1 1 1 111 LYS ARG 0.06 17109 1 1 1 1 112 LYS CYS 0.88 17109 1 1 1 1 112 LYS GLY 0.08 17109 1 1 1 1 112 LYS ALA 0.02 17109 1 1 1 1 112 LYS ARG 0.01 17109 1 1 1 1 113 GLU GLU 0.38 17109 1 1 1 1 113 GLU CYS 0.29 17109 1 1 1 1 113 GLU LYS 0.14 17109 1 1 1 1 113 GLU GLN 0.11 17109 1 1 1 1 113 GLU MET 0.03 17109 1 1 1 1 113 GLU ILE 0.02 17109 1 1 1 1 114 GLU CYS 0.29 17109 1 1 1 1 114 GLU MET 0.25 17109 1 1 1 1 114 GLU GLN 0.22 17109 1 1 1 1 114 GLU GLU 0.14 17109 1 1 1 1 114 GLU LYS 0.08 17109 1 1 1 1 116 ILE CYS 0.73 17109 1 1 1 1 116 ILE ALA 0.15 17109 1 1 1 1 116 ILE ILE 0.1 17109 1 1 1 1 117 LEU GLY 0.87 17109 1 1 1 1 117 LEU CYS 0.08 17109 1 1 1 1 117 LEU ALA 0.02 17109 1 1 1 1 118 THR THR 0.69 17109 1 1 1 1 118 THR CYS 0.3 17109 1 1 1 1 119 LEU ALA 0.58 17109 1 1 1 1 119 LEU GLY 0.29 17109 1 1 1 1 119 LEU CYS 0.09 17109 1 1 1 1 119 LEU ARG 0.02 17109 1 1 1 1 120 THR THR 0.38 17109 1 1 1 1 120 THR CYS 0.33 17109 1 1 1 1 120 THR ALA 0.28 17109 1 1 1 1 121 THR THR 0.51 17109 1 1 1 1 121 THR CYS 0.48 17109 1 1 1 1 125 PHE TYR 0.44 17109 1 1 1 1 125 PHE PHE 0.29 17109 1 1 1 1 125 PHE CYS 0.26 17109 1 1 1 1 126 ASP ASN 0.53 17109 1 1 1 1 126 ASP ASP 0.23 17109 1 1 1 1 126 ASP CYS 0.07 17109 1 1 1 1 126 ASP LEU 0.06 17109 1 1 1 1 126 ASP PHE 0.04 17109 1 1 1 1 126 ASP TYR 0.04 17109 1 1 1 1 127 TYR CYS 0.99 17109 1 1 1 1 128 ILE ILE 0.58 17109 1 1 1 1 128 ILE CYS 0.41 17109 1 1 1 1 129 GLY ARG 0.39 17109 1 1 1 1 129 GLY LEU 0.29 17109 1 1 1 1 129 GLY GLY 0.08 17109 1 1 1 1 129 GLY ASP 0.06 17109 1 1 1 1 129 GLY PHE 0.05 17109 1 1 1 1 129 GLY CYS 0.03 17109 1 1 1 1 129 GLY LYS 0.03 17109 1 1 1 1 129 GLY TYR 0.03 17109 1 1 1 1 130 ASP ASN 0.33 17109 1 1 1 1 130 ASP ASP 0.31 17109 1 1 1 1 130 ASP LEU 0.11 17109 1 1 1 1 130 ASP PHE 0.08 17109 1 1 1 1 130 ASP TYR 0.07 17109 1 1 1 1 130 ASP CYS 0.06 17109 1 1 1 1 131 ALA ALA 0.89 17109 1 1 1 1 131 ALA MET 0.09 17109 1 1 1 1 133 ASP GLY 0.77 17109 1 1 1 1 133 ASP LEU 0.14 17109 1 1 1 1 133 ASP CYS 0.02 17109 1 1 1 1 133 ASP ASP 0.02 17109 1 1 1 1 133 ASP ARG 0.02 17109 1 1 1 1 134 ARG MET 0.26 17109 1 1 1 1 134 ARG GLN 0.21 17109 1 1 1 1 134 ARG CYS 0.18 17109 1 1 1 1 134 ARG LYS 0.15 17109 1 1 1 1 134 ARG HIS 0.05 17109 1 1 1 1 134 ARG ARG 0.05 17109 1 1 1 1 134 ARG TRP 0.02 17109 1 1 1 1 134 ARG GLU 0.01 17109 1 1 1 1 136 ILE CYS 0.56 17109 1 1 1 1 136 ILE ILE 0.41 17109 1 1 1 1 136 ILE ALA 0.02 17109 1 1 1 1 137 ILE ILE 0.5 17109 1 1 1 1 137 ILE CYS 0.49 17109 1 1 1 1 138 GLU CYS 0.9 17109 1 1 1 1 138 GLU MET 0.06 17109 1 1 1 1 138 GLU GLU 0.03 17109 1 1 1 1 139 ALA LEU 0.37 17109 1 1 1 1 139 ALA PRO 0.27 17109 1 1 1 1 139 ALA CYS 0.19 17109 1 1 1 1 139 ALA LYS 0.07 17109 1 1 1 1 139 ALA ALA 0.05 17109 1 1 1 1 140 LYS LYS 0.56 17109 1 1 1 1 140 LYS CYS 0.39 17109 1 1 1 1 140 LYS ARG 0.01 17109 1 1 1 1 140 LYS ALA 0.01 17109 1 1 1 1 141 LEU LEU 0.36 17109 1 1 1 1 141 LEU CYS 0.33 17109 1 1 1 1 141 LEU ARG 0.26 17109 1 1 1 1 141 LEU GLY 0.01 17109 1 1 1 1 142 THR THR 0.82 17109 1 1 1 1 142 THR CYS 0.17 17109 1 1 1 1 143 GLY GLY 0.82 17109 1 1 1 1 143 GLY LEU 0.1 17109 1 1 1 1 143 GLY CYS 0.02 17109 1 1 1 1 143 GLY ARG 0.01 17109 1 1 1 1 143 GLY PHE 0.01 17109 1 1 1 1 144 SER SER 0.98 17109 1 1 1 1 144 SER THR 0.01 17109 1 1 1 1 147 LYS CYS 0.19 17109 1 1 1 1 147 LYS LYS 0.18 17109 1 1 1 1 147 LYS MET 0.15 17109 1 1 1 1 147 LYS GLN 0.12 17109 1 1 1 1 147 LYS ARG 0.08 17109 1 1 1 1 147 LYS HIS 0.07 17109 1 1 1 1 147 LYS TRP 0.06 17109 1 1 1 1 147 LYS VAL 0.04 17109 1 1 1 1 147 LYS GLU 0.04 17109 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17109 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 17109 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17109 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17109 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17109 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_