data_AVS_bmrb_pdb_report_34022 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34022 _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 61 LYS Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 1.0000 34022 1 1 1 1 61 LYS . . . . . . "CA > CG" 1.0000 34022 1 1 1 1 61 LYS . . . . . . "CA > CD" 0.9995 34022 1 1 1 1 61 LYS . . . . . . "CA > CE" 0.9995 34022 1 1 1 1 61 LYS . . . . . . "CB > CG" 0.9963 34022 1 1 1 1 61 LYS . . . . . . "CE > CG" 0.9969 34022 1 1 1 1 62 LYS Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 1.0000 34022 1 1 1 1 62 LYS . . . . . . "CA > CG" 1.0000 34022 1 1 1 1 62 LYS . . . . . . "CA > CD" 0.9995 34022 1 1 1 1 62 LYS . . . . . . "CA > CE" 0.9995 34022 1 1 1 1 62 LYS . . . . . . "CB > CG" 0.9963 34022 1 1 1 1 62 LYS . . . . . . "CE > CG" 0.9969 34022 1 1 1 1 73 LYS Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 1.0000 34022 1 1 1 1 73 LYS . . . . . . "CA > CG" 1.0000 34022 1 1 1 1 73 LYS . . . . . . "CA > CD" 0.9995 34022 1 1 1 1 73 LYS . . . . . . "CA > CE" 0.9995 34022 1 1 1 1 73 LYS . . . . . . "CB > CG" 0.9963 34022 1 1 1 1 73 LYS . . . . . . "CE > CG" 0.9969 34022 1 1 1 1 76 LYS Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 1.0000 34022 1 1 1 1 76 LYS . . . . . . "CA > CG" 1.0000 34022 1 1 1 1 76 LYS . . . . . . "CA > CD" 0.9995 34022 1 1 1 1 76 LYS . . . . . . "CA > CE" 0.9995 34022 1 1 1 1 76 LYS . . . . . . "CB > CG" 0.9963 34022 1 1 1 1 76 LYS . . . . . . "CE > CG" 0.9969 34022 1 1 1 1 136 LYS Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 1.0000 34022 1 1 1 1 136 LYS . . . . . . "CA > CG" 1.0000 34022 1 1 1 1 136 LYS . . . . . . "CA > CD" 0.9995 34022 1 1 1 1 136 LYS . . . . . . "CA > CE" 0.9995 34022 1 1 1 1 136 LYS . . . . . . "CB > CG" 0.9963 34022 1 1 1 1 136 LYS . . . . . . "CE > CG" 0.9969 34022 1 1 1 1 140 LYS Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 1.0000 34022 1 1 1 1 140 LYS . . . . . . "CA > CG" 1.0000 34022 1 1 1 1 140 LYS . . . . . . "CA > CD" 0.9995 34022 1 1 1 1 140 LYS . . . . . . "CA > CE" 0.9995 34022 1 1 1 1 140 LYS . . . . . . "CB > CG" 0.9963 34022 1 1 1 1 140 LYS . . . . . . "CE > CG" 0.9969 34022 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 61 LYS C 177.629 . 176.64 2 6.2095e-01 34022 1 1 1 1 61 LYS CA 27.6573 A 56.95 2.2 1.8972e-40 34022 1 1 1 1 61 LYS CB 32.434 . 32.79 1.78 8.4148e-01 34022 1 1 1 1 61 LYS CG 57.4407 A 24.89 1.13 0.0000e+00 34022 1 1 1 1 61 LYS CD 29.485 . 28.96 1.08 6.2689e-01 34022 1 1 1 1 61 LYS CE 42.216 . 41.89 0.82 6.9095e-01 34022 1 1 1 1 61 LYS H 8.800 . 8.19 0.6 3.0931e-01 34022 1 1 1 1 61 LYS HA 4.069 . 4.27 0.44 6.4780e-01 34022 1 1 1 1 61 LYS HB2 1.796 . 1.78 0.25 9.4897e-01 34022 1 1 1 1 61 LYS HB3 1.754 . 1.74 0.27 9.5865e-01 34022 1 1 1 1 61 LYS HG2 1.542 . 1.37 0.26 5.0827e-01 34022 1 1 1 1 61 LYS HG3 1.450 . 1.35 0.28 7.2098e-01 34022 1 1 1 1 61 LYS HD2 1.838 . 1.61 0.22 3.0003e-01 34022 1 1 1 1 61 LYS HD3 1.839 . 1.6 0.22 2.7732e-01 34022 1 1 1 1 61 LYS HE2 3.022 . 2.92 0.19 5.9138e-01 34022 1 1 1 1 61 LYS HE3 3.026 . 2.91 0.2 5.6191e-01 34022 1 1 1 1 61 LYS N 127.155 . 121.05 3.77 1.0537e-01 34022 1 1 1 1 62 LYS C 179.918 . 176.64 2 1.0121e-01 34022 1 1 1 1 62 LYS CA 27.4603 A 56.95 2.2 5.6975e-41 34022 1 1 1 1 62 LYS CB 31.792 . 32.79 1.78 5.7502e-01 34022 1 1 1 1 62 LYS CG 57.6927 A 24.89 1.13 0.0000e+00 34022 1 1 1 1 62 LYS CD 28.973 . 28.96 1.08 9.9040e-01 34022 1 1 1 1 62 LYS CE 42.784 . 41.89 0.82 2.7561e-01 34022 1 1 1 1 62 LYS H 8.420 . 8.19 0.6 7.0147e-01 34022 1 1 1 1 62 LYS HA 4.047 . 4.27 0.44 6.1228e-01 34022 1 1 1 1 62 LYS HB2 1.903 . 1.78 0.25 6.2272e-01 34022 1 1 1 1 62 LYS HB3 2.024 . 1.74 0.27 2.9287e-01 34022 1 1 1 1 62 LYS HG2 1.683 . 1.37 0.26 2.2865e-01 34022 1 1 1 1 62 LYS HG3 1.621 . 1.35 0.28 3.3312e-01 34022 1 1 1 1 62 LYS HD2 1.840 . 1.61 0.22 2.9581e-01 34022 1 1 1 1 62 LYS HD3 1.839 . 1.6 0.22 2.7732e-01 34022 1 1 1 1 62 LYS HE2 3.141 . 2.92 0.19 2.4477e-01 34022 1 1 1 1 62 LYS HE3 3.143 . 2.91 0.2 2.4402e-01 34022 1 1 1 1 62 LYS N 116.775 . 121.05 3.77 2.5681e-01 34022 1 1 1 1 73 LYS C 177.865 . 176.64 2 5.4021e-01 34022 1 1 1 1 73 LYS CA 28.6243 A 56.95 2.2 6.1983e-38 34022 1 1 1 1 73 LYS CB 31.995 . 32.79 1.78 6.5514e-01 34022 1 1 1 1 73 LYS CG 57.3817 A 24.89 1.13 0.0000e+00 34022 1 1 1 1 73 LYS CD 29.377 . 28.96 1.08 6.9941e-01 34022 1 1 1 1 73 LYS CE 42.362 . 41.89 0.82 5.6488e-01 34022 1 1 1 1 73 LYS H 8.499 . 8.19 0.6 6.0655e-01 34022 1 1 1 1 73 LYS HA 3.998 . 4.27 0.44 5.3646e-01 34022 1 1 1 1 73 LYS HB2 2.258 . 1.78 0.25 5.5876e-02 34022 1 1 1 1 73 LYS HB3 2.021 . 1.74 0.27 2.9800e-01 34022 1 1 1 1 73 LYS HG2 1.659 . 1.37 0.26 2.6634e-01 34022 1 1 1 1 73 LYS HG3 1.646 . 1.35 0.28 2.9045e-01 34022 1 1 1 1 73 LYS HD2 1.772 . 1.61 0.22 4.6151e-01 34022 1 1 1 1 73 LYS HD3 1.775 . 1.6 0.22 4.2635e-01 34022 1 1 1 1 73 LYS HE2 3.148 . 2.92 0.19 2.3014e-01 34022 1 1 1 1 73 LYS HE3 3.153 . 2.91 0.2 2.2437e-01 34022 1 1 1 1 73 LYS N 121.895 . 121.05 3.77 8.2265e-01 34022 1 1 1 1 76 LYS C 179.990 . 176.64 2 9.3934e-02 34022 1 1 1 1 76 LYS CA 27.4813 A 56.95 2.2 6.4795e-41 34022 1 1 1 1 76 LYS CB 32.261 . 32.79 1.78 7.6632e-01 34022 1 1 1 1 76 LYS CG 57.2767 A 24.89 1.13 0.0000e+00 34022 1 1 1 1 76 LYS CD 29.194 . 28.96 1.08 8.2847e-01 34022 1 1 1 1 76 LYS CE 42.365 . 41.89 0.82 5.6241e-01 34022 1 1 1 1 76 LYS H 8.363 . 8.19 0.6 7.7309e-01 34022 1 1 1 1 76 LYS HA 3.791 . 4.27 0.44 2.7631e-01 34022 1 1 1 1 76 LYS HB2 1.242 . 1.78 0.25 3.1397e-02 34022 1 1 1 1 76 LYS HB3 1.968 . 1.74 0.27 3.9842e-01 34022 1 1 1 1 76 LYS HG2 1.578 . 1.37 0.26 4.2371e-01 34022 1 1 1 1 76 LYS HG3 1.578 . 1.35 0.28 4.1548e-01 34022 1 1 1 1 76 LYS HD2 1.740 . 1.61 0.22 5.5458e-01 34022 1 1 1 1 76 LYS HD3 1.743 . 1.6 0.22 5.1569e-01 34022 1 1 1 1 76 LYS HE2 3.100 . 2.92 0.19 3.4345e-01 34022 1 1 1 1 76 LYS HE3 3.100 . 2.91 0.2 3.4211e-01 34022 1 1 1 1 76 LYS N 120.232 . 121.05 3.77 8.2823e-01 34022 1 1 1 1 136 LYS CA 26.6813 A 56.95 2.2 4.5282e-43 34022 1 1 1 1 136 LYS CB 33.642 . 32.79 1.78 6.3219e-01 34022 1 1 1 1 136 LYS CG 57.2727 A 24.89 1.13 0.0000e+00 34022 1 1 1 1 136 LYS CD 28.859 . 28.96 1.08 9.2549e-01 34022 1 1 1 1 136 LYS CE 42.272 . 41.89 0.82 6.4132e-01 34022 1 1 1 1 136 LYS H 8.599 . 8.19 0.6 4.9545e-01 34022 1 1 1 1 136 LYS HA 4.507 . 4.27 0.44 5.9014e-01 34022 1 1 1 1 136 LYS HB2 2.013 . 1.78 0.25 3.5134e-01 34022 1 1 1 1 136 LYS HB3 2.012 . 1.74 0.27 3.1374e-01 34022 1 1 1 1 136 LYS HG2 1.591 . 1.37 0.26 3.9533e-01 34022 1 1 1 1 136 LYS HG3 1.685 . 1.35 0.28 2.3153e-01 34022 1 1 1 1 136 LYS HD2 1.590 . 1.61 0.22 9.2757e-01 34022 1 1 1 1 136 LYS HD3 1.680 . 1.6 0.22 7.1613e-01 34022 1 1 1 1 136 LYS HE2 3.116 . 2.92 0.19 3.0227e-01 34022 1 1 1 1 136 LYS HE3 3.116 . 2.91 0.2 3.0301e-01 34022 1 1 1 1 136 LYS N 119.300 . 121.05 3.77 6.4251e-01 34022 1 1 1 1 140 LYS C 177.371 . 176.64 2 7.1474e-01 34022 1 1 1 1 140 LYS CA 28.4323 A 56.95 2.2 1.9940e-38 34022 1 1 1 1 140 LYS CB 32.345 . 32.79 1.78 8.0259e-01 34022 1 1 1 1 140 LYS CG 57.1277 A 24.89 1.13 0.0000e+00 34022 1 1 1 1 140 LYS CD 29.829 . 28.96 1.08 4.2103e-01 34022 1 1 1 1 140 LYS CE 42.323 . 41.89 0.82 5.9747e-01 34022 1 1 1 1 140 LYS H 8.589 . 8.19 0.6 5.0605e-01 34022 1 1 1 1 140 LYS HA 3.739 . 4.27 0.44 2.2750e-01 34022 1 1 1 1 140 LYS HB2 1.908 . 1.78 0.25 6.0865e-01 34022 1 1 1 1 140 LYS HB3 1.841 . 1.74 0.27 7.0835e-01 34022 1 1 1 1 140 LYS HG2 1.381 . 1.37 0.26 9.6625e-01 34022 1 1 1 1 140 LYS HG3 1.104 . 1.35 0.28 3.7963e-01 34022 1 1 1 1 140 LYS HD2 1.756 . 1.61 0.22 5.0692e-01 34022 1 1 1 1 140 LYS HD3 1.760 . 1.6 0.22 4.6706e-01 34022 1 1 1 1 140 LYS HE2 3.019 . 2.92 0.19 6.0233e-01 34022 1 1 1 1 140 LYS HE3 3.019 . 2.91 0.2 5.8575e-01 34022 1 1 1 1 140 LYS N 123.522 . 121.05 3.77 5.1202e-01 34022 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 61 LYS CYS 0.55 34022 1 1 1 1 61 LYS ARG 0.43 34022 1 1 1 1 61 LYS GLY 0.01 34022 1 1 1 1 62 LYS CYS 0.49 34022 1 1 1 1 62 LYS ARG 0.47 34022 1 1 1 1 62 LYS GLY 0.02 34022 1 1 1 1 73 LYS CYS 0.6 34022 1 1 1 1 73 LYS ARG 0.37 34022 1 1 1 1 73 LYS GLY 0.01 34022 1 1 1 1 76 LYS CYS 0.53 34022 1 1 1 1 76 LYS ARG 0.45 34022 1 1 1 1 76 LYS GLY 0.01 34022 1 1 1 1 136 LYS CYS 0.56 34022 1 1 1 1 136 LYS ARG 0.41 34022 1 1 1 1 136 LYS GLY 0.01 34022 1 1 1 1 140 LYS CYS 0.56 34022 1 1 1 1 140 LYS ARG 0.42 34022 1 1 1 1 140 LYS GLY 0.01 34022 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34022 _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 34022 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34022 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34022 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34022 _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_