data_AVS_bmrb_pdb_report_16873 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16873 _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 1 MET Anomalous Consistent Consistent Indeterminable Duplicate Anomalous . . 16873 1 1 1 1 13 LYS Anomalous Consistent Consistent Indeterminable Suspicious Anomalous . . 16873 1 1 1 1 28 LYS Anomalous Consistent Consistent Indeterminable Duplicate Anomalous . . 16873 1 1 1 1 31 LYS Anomalous Consistent Consistent Indeterminable Duplicate Anomalous . . 16873 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 1 MET C 171.328 D 176.3 2.13 1.9581e-02 16873 1 1 1 1 1 MET CA 55.577 D 56.16 2.34 8.0325e-01 16873 1 1 1 1 1 MET CB 34.644 D 32.9 2.23 4.3418e-01 16873 1 1 1 1 1 MET CG 31.271 D 32.07 1.45 5.8161e-01 16873 1 1 1 1 1 MET CE 16.530 . 17.21 3.42 8.4240e-01 16873 1 1 1 1 1 MET N 38.395 A 120.1 3.88 0.0000e+00 16873 1 1 1 1 13 LYS C 175.744 D 176.46 2.05 7.2689e-01 16873 1 1 1 1 13 LYS CA 53.612 D 56.84 2.25 1.5138e-01 16873 1 1 1 1 13 LYS CB 39.190 S 32.83 1.88 7.1704e-04 16873 1 1 1 1 13 LYS CG 26.703 D 24.91 1.31 1.7109e-01 16873 1 1 1 1 13 LYS CD 30.282 D 28.78 1.39 2.7989e-01 16873 1 1 1 1 13 LYS CE 42.972 D 41.78 0.98 2.2386e-01 16873 1 1 1 1 13 LYS N 122.407 D 121.16 4.11 7.6158e-01 16873 1 1 1 1 13 LYS NZ 30.943 A 71.86 52.41 4.3497e-01 16873 1 1 1 1 28 LYS C 179.659 D 176.46 2.05 1.1864e-01 16873 1 1 1 1 28 LYS CA 59.655 D 56.84 2.25 2.1089e-01 16873 1 1 1 1 28 LYS CB 32.366 D 32.83 1.88 8.0506e-01 16873 1 1 1 1 28 LYS CG 25.336 D 24.91 1.31 7.4504e-01 16873 1 1 1 1 28 LYS CD 30.137 . 28.78 1.39 3.2894e-01 16873 1 1 1 1 28 LYS CE 42.127 D 41.78 0.98 7.2328e-01 16873 1 1 1 1 28 LYS N 118.026 D 121.16 4.11 4.4574e-01 16873 1 1 1 1 28 LYS NZ 32.714 A 71.86 52.41 4.5511e-01 16873 1 1 1 1 31 LYS C 180.328 D 176.46 2.05 5.9184e-02 16873 1 1 1 1 31 LYS CA 60.365 D 56.84 2.25 1.1719e-01 16873 1 1 1 1 31 LYS CB 32.262 D 32.83 1.88 7.6255e-01 16873 1 1 1 1 31 LYS CG 26.055 D 24.91 1.31 3.8209e-01 16873 1 1 1 1 31 LYS CD 29.623 D 28.78 1.39 5.4420e-01 16873 1 1 1 1 31 LYS CE 41.206 D 41.78 0.98 5.5807e-01 16873 1 1 1 1 31 LYS N 121.545 D 121.16 4.11 9.2537e-01 16873 1 1 1 1 31 LYS NZ 32.712 A 71.86 52.41 4.5509e-01 16873 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 1 MET MET 0.78 16873 1 1 1 1 1 MET ALA 0.19 16873 1 1 1 1 1 MET ILE 0.02 16873 1 1 1 1 13 LYS GLY 0.95 16873 1 1 1 1 13 LYS LYS 0.02 16873 1 1 1 1 13 LYS MET 0.01 16873 1 1 1 1 28 LYS LYS 0.9 16873 1 1 1 1 28 LYS MET 0.06 16873 1 1 1 1 28 LYS GLY 0.02 16873 1 1 1 1 31 LYS LYS 0.96 16873 1 1 1 1 31 LYS MET 0.02 16873 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16873 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 16873 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16873 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16873 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16873 _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_