data_AVS_bmrb_pdb_report_16117 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16117 _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 50 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HB2" 0.9970 16117 1 1 1 1 50 LYS . . . . . . "HE3 > HB2" 0.9970 16117 1 1 1 1 50 LYS . . . . . . "HE2 > HB3" 0.9957 16117 1 1 1 1 50 LYS . . . . . . "HE3 > HB3" 0.9974 16117 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 50 LYS C 174.829 . 176.46 2.05 4.2626e-01 16117 1 1 1 1 50 LYS CA 55.959 . 56.84 2.25 6.9539e-01 16117 1 1 1 1 50 LYS CB 29.232 . 32.83 1.88 5.5642e-02 16117 1 1 1 1 50 LYS CG 24.181 . 24.91 1.31 5.7788e-01 16117 1 1 1 1 50 LYS H 7.991 . 8.22 0.64 7.2048e-01 16117 1 1 1 1 50 LYS HA 4.336 . 4.28 0.45 9.0096e-01 16117 1 1 1 1 50 LYS HB2 2.052 . 1.79 0.25 2.9464e-01 16117 1 1 1 1 50 LYS HB3 2.052 . 1.78 0.26 2.9549e-01 16117 1 1 1 1 50 LYS HE2 1.355 S 2.93 0.2 3.4074e-15 16117 1 1 1 1 50 LYS HE3 1.355 A 2.93 0.2 3.4074e-15 16117 1 1 1 1 50 LYS N 124.329 . 121.16 4.11 4.4068e-01 16117 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 50 LYS LEU 0.5 16117 1 1 1 1 50 LYS LYS 0.45 16117 1 1 1 1 50 LYS VAL 0.02 16117 1 1 1 1 50 LYS ALA 0.01 16117 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16117 _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 16117 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16117 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16117 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16117 _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_