data_AVS_bmrb_pdb_report_7016 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7016 _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 3 ASP Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 4 THR Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 5 ASP Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 6 SER Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 7 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 8 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 9 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 10 ILE Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 11 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 12 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 13 ALA Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 14 PHE Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 15 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 16 VAL Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 17 PHE Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 18 ASP Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 19 LYS Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 20 ASP Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 21 GLY Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 22 ASN Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 23 GLY Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 24 TYR Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 25 ILE Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 26 SER Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 27 ALA Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 28 ALA Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 29 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 30 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 31 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 32 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 33 VAL Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 34 MET Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 35 THR Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 36 ASN Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 37 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 38 GLY Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 39 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 40 LYS Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 41 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 42 THR Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 43 ASP Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 44 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 45 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 46 VAL Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 47 ASP Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 48 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 49 MET Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 50 ILE Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 51 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 52 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 53 ALA Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 54 ASP Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 55 ILE Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 56 ASP Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 58 ASP Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 60 GLN Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 61 VAL Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 62 ASN Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 64 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 65 GLN Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 67 VAL Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 68 GLN Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 69 MET Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 70 MET Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 71 THR Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 72 ALA Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 1 73 LYS Anomalous Indeterminable Consistent Anomalous Indeterminable Anomalous . . 7016 1 1 1 2 1 CA UNSUPPORTED . . . . . . . 7016 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 3 ASP H 0.02 A 8.31 0.58 2.4160e-46 7016 1 1 1 1 3 ASP N 0.2 A 120.65 3.86 0.0000e+00 7016 1 1 1 1 4 THR H 0.02 A 8.24 0.62 4.0522e-40 7016 1 1 1 1 4 THR N 0.2 A 115.42 4.75 0.0000e+00 7016 1 1 1 1 5 ASP H 0.02 A 8.31 0.58 2.4160e-46 7016 1 1 1 1 5 ASP N 0.2 A 120.65 3.86 0.0000e+00 7016 1 1 1 1 6 SER H 0.02 A 8.28 0.59 1.5587e-44 7016 1 1 1 1 6 SER N 0.2 A 116.28 3.52 0.0000e+00 7016 1 1 1 1 7 GLU H 0.02 A 8.33 0.59 4.7135e-45 7016 1 1 1 1 7 GLU N 0.2 A 120.67 3.48 0.0000e+00 7016 1 1 1 1 8 GLU H 0.02 A 8.33 0.59 4.7135e-45 7016 1 1 1 1 8 GLU N 0.2 A 120.67 3.48 0.0000e+00 7016 1 1 1 1 9 GLU H 0.02 A 8.33 0.59 4.7135e-45 7016 1 1 1 1 9 GLU N 0.2 A 120.67 3.48 0.0000e+00 7016 1 1 1 1 10 ILE H 0.02 A 8.28 0.68 5.9467e-34 7016 1 1 1 1 10 ILE N 0.2 A 121.46 4.28 0.0000e+00 7016 1 1 1 1 11 ARG H 0.02 A 8.24 0.61 2.1827e-41 7016 1 1 1 1 11 ARG N 0.2 A 120.8 3.68 0.0000e+00 7016 1 1 1 1 12 GLU H 0.02 A 8.33 0.59 4.7135e-45 7016 1 1 1 1 12 GLU N 0.2 A 120.67 3.48 0.0000e+00 7016 1 1 1 1 13 ALA H 0.02 A 8.2 0.6 2.5372e-42 7016 1 1 1 1 13 ALA N 0.2 A 123.23 3.54 0.0000e+00 7016 1 1 1 1 14 PHE H 0.02 A 8.36 0.72 5.0061e-31 7016 1 1 1 1 14 PHE N 0.2 A 120.45 4.18 0.0000e+00 7016 1 1 1 1 15 ARG H 0.02 A 8.24 0.61 2.1827e-41 7016 1 1 1 1 15 ARG N 0.2 A 120.8 3.68 0.0000e+00 7016 1 1 1 1 16 VAL H 0.02 A 8.29 0.67 5.2951e-35 7016 1 1 1 1 16 VAL N 0.2 A 121.14 4.54 0.0000e+00 7016 1 1 1 1 17 PHE H 0.02 A 8.36 0.72 5.0061e-31 7016 1 1 1 1 17 PHE N 0.2 A 120.45 4.18 0.0000e+00 7016 1 1 1 1 18 ASP H 0.02 A 8.31 0.58 2.4160e-46 7016 1 1 1 1 18 ASP N 0.2 A 120.65 3.86 0.0000e+00 7016 1 1 1 1 19 LYS H 0.02 A 8.19 0.6 3.1879e-42 7016 1 1 1 1 19 LYS N 0.2 A 121.05 3.77 0.0000e+00 7016 1 1 1 1 20 ASP H 0.02 A 8.31 0.58 2.4160e-46 7016 1 1 1 1 20 ASP N 0.2 A 120.65 3.86 0.0000e+00 7016 1 1 1 1 21 GLY H 0.02 A 8.33 0.65 1.9985e-37 7016 1 1 1 1 21 GLY N 0.2 A 109.67 3.87 0.0000e+00 7016 1 1 1 1 22 ASN H 0.02 A 8.34 0.63 8.0642e-40 7016 1 1 1 1 22 ASN N 0.2 A 118.93 4.03 0.0000e+00 7016 1 1 1 1 23 GLY H 0.02 A 8.33 0.65 1.9985e-37 7016 1 1 1 1 23 GLY N 0.2 A 109.67 3.87 0.0000e+00 7016 1 1 1 1 24 TYR H 0.02 A 8.32 0.73 5.9080e-30 7016 1 1 1 1 24 TYR N 0.2 A 120.52 4.2 0.0000e+00 7016 1 1 1 1 25 ILE H 0.02 A 8.28 0.68 5.9467e-34 7016 1 1 1 1 25 ILE N 0.2 A 121.46 4.28 0.0000e+00 7016 1 1 1 1 26 SER H 0.02 A 8.28 0.59 1.5587e-44 7016 1 1 1 1 26 SER N 0.2 A 116.28 3.52 0.0000e+00 7016 1 1 1 1 27 ALA H 0.02 A 8.2 0.6 2.5372e-42 7016 1 1 1 1 27 ALA N 0.2 A 123.23 3.54 0.0000e+00 7016 1 1 1 1 28 ALA H 0.02 A 8.2 0.6 2.5372e-42 7016 1 1 1 1 28 ALA N 0.2 A 123.23 3.54 0.0000e+00 7016 1 1 1 1 29 GLU H 0.02 A 8.33 0.59 4.7135e-45 7016 1 1 1 1 29 GLU N 0.2 A 120.67 3.48 0.0000e+00 7016 1 1 1 1 30 LEU H 0.02 A 8.23 0.65 1.4287e-36 7016 1 1 1 1 30 LEU N 0.2 A 121.86 3.9 0.0000e+00 7016 1 1 1 1 31 ARG H 0.02 A 8.24 0.61 2.1827e-41 7016 1 1 1 1 31 ARG N 0.2 A 120.8 3.68 0.0000e+00 7016 1 1 1 1 32 HIS H 0.02 A 8.24 0.68 1.2188e-33 7016 1 1 1 1 32 HIS N 0.2 A 119.69 4 0.0000e+00 7016 1 1 1 1 33 VAL H 0.02 A 8.29 0.67 5.2951e-35 7016 1 1 1 1 33 VAL N 0.2 A 121.14 4.54 0.0000e+00 7016 1 1 1 1 34 MET H 0.02 A 8.26 0.6 6.4115e-43 7016 1 1 1 1 34 MET N 0.2 A 120.09 3.57 0.0000e+00 7016 1 1 1 1 35 THR H 0.02 A 8.24 0.62 4.0522e-40 7016 1 1 1 1 35 THR N 0.2 A 115.42 4.75 0.0000e+00 7016 1 1 1 1 36 ASN H 0.02 A 8.34 0.63 8.0642e-40 7016 1 1 1 1 36 ASN N 0.2 A 118.93 4.03 0.0000e+00 7016 1 1 1 1 37 LEU H 0.02 A 8.23 0.65 1.4287e-36 7016 1 1 1 1 37 LEU N 0.2 A 121.86 3.9 0.0000e+00 7016 1 1 1 1 38 GLY H 0.02 A 8.33 0.65 1.9985e-37 7016 1 1 1 1 38 GLY N 0.2 A 109.67 3.87 0.0000e+00 7016 1 1 1 1 39 GLU H 0.02 A 8.33 0.59 4.7135e-45 7016 1 1 1 1 39 GLU N 0.2 A 120.67 3.48 0.0000e+00 7016 1 1 1 1 40 LYS H 0.02 A 8.19 0.6 3.1879e-42 7016 1 1 1 1 40 LYS N 0.2 A 121.05 3.77 0.0000e+00 7016 1 1 1 1 41 LEU H 0.02 A 8.23 0.65 1.4287e-36 7016 1 1 1 1 41 LEU N 0.2 A 121.86 3.9 0.0000e+00 7016 1 1 1 1 42 THR H 0.02 A 8.24 0.62 4.0522e-40 7016 1 1 1 1 42 THR N 0.2 A 115.42 4.75 0.0000e+00 7016 1 1 1 1 43 ASP H 0.02 A 8.31 0.58 2.4160e-46 7016 1 1 1 1 43 ASP N 0.2 A 120.65 3.86 0.0000e+00 7016 1 1 1 1 44 GLU H 0.02 A 8.33 0.59 4.7135e-45 7016 1 1 1 1 44 GLU N 0.2 A 120.67 3.48 0.0000e+00 7016 1 1 1 1 45 GLU H 0.02 A 8.33 0.59 4.7135e-45 7016 1 1 1 1 45 GLU N 0.2 A 120.67 3.48 0.0000e+00 7016 1 1 1 1 46 VAL H 0.02 A 8.29 0.67 5.2951e-35 7016 1 1 1 1 46 VAL N 0.2 A 121.14 4.54 0.0000e+00 7016 1 1 1 1 47 ASP H 0.02 A 8.31 0.58 2.4160e-46 7016 1 1 1 1 47 ASP N 0.2 A 120.65 3.86 0.0000e+00 7016 1 1 1 1 48 GLU H 0.02 A 8.33 0.59 4.7135e-45 7016 1 1 1 1 48 GLU N 0.2 A 120.67 3.48 0.0000e+00 7016 1 1 1 1 49 MET H 0.02 A 8.26 0.6 6.4115e-43 7016 1 1 1 1 49 MET N 0.2 A 120.09 3.57 0.0000e+00 7016 1 1 1 1 50 ILE H 0.02 A 8.28 0.68 5.9467e-34 7016 1 1 1 1 50 ILE N 0.2 A 121.46 4.28 0.0000e+00 7016 1 1 1 1 51 ARG H 0.02 A 8.24 0.61 2.1827e-41 7016 1 1 1 1 51 ARG N 0.2 A 120.8 3.68 0.0000e+00 7016 1 1 1 1 52 GLU H 0.02 A 8.33 0.59 4.7135e-45 7016 1 1 1 1 52 GLU N 0.2 A 120.67 3.48 0.0000e+00 7016 1 1 1 1 53 ALA H 0.02 A 8.2 0.6 2.5372e-42 7016 1 1 1 1 53 ALA N 0.2 A 123.23 3.54 0.0000e+00 7016 1 1 1 1 54 ASP H 0.02 A 8.31 0.58 2.4160e-46 7016 1 1 1 1 54 ASP N 0.2 A 120.65 3.86 0.0000e+00 7016 1 1 1 1 55 ILE H 0.02 A 8.28 0.68 5.9467e-34 7016 1 1 1 1 55 ILE N 0.2 A 121.46 4.28 0.0000e+00 7016 1 1 1 1 56 ASP H 0.02 A 8.31 0.58 2.4160e-46 7016 1 1 1 1 56 ASP N 0.2 A 120.65 3.86 0.0000e+00 7016 1 1 1 1 58 ASP H 0.02 A 8.31 0.58 2.4160e-46 7016 1 1 1 1 58 ASP N 0.2 A 120.65 3.86 0.0000e+00 7016 1 1 1 1 60 GLN H 0.02 A 8.22 0.59 6.4859e-44 7016 1 1 1 1 60 GLN N 0.2 A 119.89 3.6 0.0000e+00 7016 1 1 1 1 61 VAL H 0.02 A 8.29 0.67 5.2951e-35 7016 1 1 1 1 61 VAL N 0.2 A 121.14 4.54 0.0000e+00 7016 1 1 1 1 62 ASN H 0.02 A 8.34 0.63 8.0642e-40 7016 1 1 1 1 62 ASN N 0.2 A 118.93 4.03 0.0000e+00 7016 1 1 1 1 64 GLU H 0.02 A 8.33 0.59 4.7135e-45 7016 1 1 1 1 64 GLU N 0.2 A 120.67 3.48 0.0000e+00 7016 1 1 1 1 65 GLN H 0.02 A 8.22 0.59 6.4859e-44 7016 1 1 1 1 65 GLN N 0.2 A 119.89 3.6 0.0000e+00 7016 1 1 1 1 67 VAL H 0.02 A 8.29 0.67 5.2951e-35 7016 1 1 1 1 67 VAL N 0.2 A 121.14 4.54 0.0000e+00 7016 1 1 1 1 68 GLN H 0.02 A 8.22 0.59 6.4859e-44 7016 1 1 1 1 68 GLN N 0.2 A 119.89 3.6 0.0000e+00 7016 1 1 1 1 69 MET H 0.02 A 8.26 0.6 6.4115e-43 7016 1 1 1 1 69 MET N 0.2 A 120.09 3.57 0.0000e+00 7016 1 1 1 1 70 MET H 0.02 A 8.26 0.6 6.4115e-43 7016 1 1 1 1 70 MET N 0.2 A 120.09 3.57 0.0000e+00 7016 1 1 1 1 71 THR H 0.02 A 8.24 0.62 4.0522e-40 7016 1 1 1 1 71 THR N 0.2 A 115.42 4.75 0.0000e+00 7016 1 1 1 1 72 ALA H 0.02 A 8.2 0.6 2.5372e-42 7016 1 1 1 1 72 ALA N 0.2 A 123.23 3.54 0.0000e+00 7016 1 1 1 1 73 LYS H 0.02 A 8.19 0.6 3.1879e-42 7016 1 1 1 1 73 LYS N 0.2 A 121.05 3.77 0.0000e+00 7016 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7016 _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 7016 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7016 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7016 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7016 _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_