data_AVS_bmrb_pdb_report_16164 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16164 _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 25 MET Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16164 1 1 1 1 46 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16164 1 1 1 1 62 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16164 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 25 MET C 174.968 . 176.3 2.13 5.3174e-01 16164 1 1 1 1 25 MET CA 55.249 . 56.16 2.34 6.9704e-01 16164 1 1 1 1 25 MET CB 29.626 . 32.9 2.23 1.4206e-01 16164 1 1 1 1 25 MET CG 37.750 A 32.07 1.45 8.9568e-05 16164 1 1 1 1 25 MET H 7.718 . 8.26 0.6 3.6635e-01 16164 1 1 1 1 25 MET HA 4.196 . 4.39 0.46 6.7322e-01 16164 1 1 1 1 25 MET HB2 2.400 . 2.03 0.38 3.3021e-01 16164 1 1 1 1 25 MET HB3 2.173 . 2.01 0.36 6.5071e-01 16164 1 1 1 1 25 MET HG2 1.661 . 2.44 0.36 3.0473e-02 16164 1 1 1 1 25 MET HG3 1.661 . 2.41 0.4 6.1138e-02 16164 1 1 1 1 25 MET N 121.365 . 120.1 3.88 7.4440e-01 16164 1 1 1 1 46 LYS C 172.123 . 176.46 2.05 3.4378e-02 16164 1 1 1 1 46 LYS CA 52.749 . 56.84 2.25 6.9030e-02 16164 1 1 1 1 46 LYS CB 29.626 . 32.83 1.88 8.8333e-02 16164 1 1 1 1 46 LYS CG 22.126 . 24.91 1.31 3.3571e-02 16164 1 1 1 1 46 LYS CD 29.626 . 28.78 1.39 5.4277e-01 16164 1 1 1 1 46 LYS H 7.243 . 8.22 0.64 1.2687e-01 16164 1 1 1 1 46 LYS HA 2.175 S 4.28 0.45 2.9000e-06 16164 1 1 1 1 46 LYS HB2 0.897 S 1.79 0.25 3.5427e-04 16164 1 1 1 1 46 LYS HB3 0.897 S 1.78 0.26 6.8340e-04 16164 1 1 1 1 46 LYS HG2 0.386 S 1.38 0.27 2.3188e-04 16164 1 1 1 1 46 LYS HG3 0.386 S 1.37 0.29 6.9106e-04 16164 1 1 1 1 46 LYS HD2 0.134 A 1.61 0.25 3.5479e-09 16164 1 1 1 1 46 LYS HD3 0.134 A 1.61 0.25 3.5479e-09 16164 1 1 1 1 46 LYS HE2 1.397 S 2.93 0.2 1.7883e-14 16164 1 1 1 1 46 LYS HE3 1.397 A 2.93 0.2 1.7883e-14 16164 1 1 1 1 46 LYS N 128.615 . 121.16 4.11 6.9698e-02 16164 1 1 1 1 62 LEU C 173.430 . 176.97 2.09 9.0307e-02 16164 1 1 1 1 62 LEU CA 50.874 . 55.65 2.21 3.0689e-02 16164 1 1 1 1 62 LEU CB 44.000 . 42.37 1.86 3.8084e-01 16164 1 1 1 1 62 LEU CG 20.251 A 26.77 1.25 1.8362e-07 16164 1 1 1 1 62 LEU CD1 24.626 . 24.73 1.71 9.5150e-01 16164 1 1 1 1 62 LEU CD2 24.626 . 24.1 1.78 7.6761e-01 16164 1 1 1 1 62 LEU H 7.352 . 8.22 0.65 1.8175e-01 16164 1 1 1 1 62 LEU HA 4.343 . 4.32 0.47 9.6097e-01 16164 1 1 1 1 62 LEU HB2 1.267 . 1.63 0.34 2.8568e-01 16164 1 1 1 1 62 LEU HB3 0.964 . 1.57 0.36 9.2311e-02 16164 1 1 1 1 62 LEU HG 0.744 . 1.54 0.33 1.5860e-02 16164 1 1 1 1 62 LEU HD11 0.621 . 0.77 0.27 5.8105e-01 16164 1 1 1 1 62 LEU HD12 0.621 . 0.77 0.27 5.8105e-01 16164 1 1 1 1 62 LEU HD13 0.621 . 0.77 0.27 5.8105e-01 16164 1 1 1 1 62 LEU HD21 0.621 . 0.76 0.28 6.1959e-01 16164 1 1 1 1 62 LEU HD22 0.621 . 0.76 0.28 6.1959e-01 16164 1 1 1 1 62 LEU HD23 0.621 . 0.76 0.28 6.1959e-01 16164 1 1 1 1 62 LEU N 117.112 . 121.98 4.07 2.3167e-01 16164 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 25 MET GLU 0.74 16164 1 1 1 1 25 MET ILE 0.15 16164 1 1 1 1 25 MET LYS 0.07 16164 1 1 1 1 25 MET LEU 0.01 16164 1 1 1 1 46 LYS ALA 0.71 16164 1 1 1 1 46 LYS MET 0.18 16164 1 1 1 1 46 LYS LYS 0.08 16164 1 1 1 1 62 LEU ALA 0.54 16164 1 1 1 1 62 LEU GLY 0.45 16164 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16164 _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 16164 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16164 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16164 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16164 _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_