data_AVS_bmrb_pdb_report_16686 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16686 _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 36 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16686 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 36 LYS C 177.151 . 176.46 2.05 7.3606e-01 16686 1 1 1 1 36 LYS CA 55.470 . 56.84 2.25 5.4260e-01 16686 1 1 1 1 36 LYS CB 34.125 . 32.83 1.88 4.9093e-01 16686 1 1 1 1 36 LYS CG 26.117 . 24.91 1.31 3.5686e-01 16686 1 1 1 1 36 LYS CD 28.638 . 28.78 1.39 9.1863e-01 16686 1 1 1 1 36 LYS CE 42.076 . 41.78 0.98 7.6262e-01 16686 1 1 1 1 36 LYS H 5.957 S 8.22 0.64 4.0633e-04 16686 1 1 1 1 36 LYS HA 4.178 . 4.28 0.45 8.2068e-01 16686 1 1 1 1 36 LYS HB2 0.755 S 1.79 0.25 3.4731e-05 16686 1 1 1 1 36 LYS HB3 1.209 . 1.78 0.26 2.8081e-02 16686 1 1 1 1 36 LYS HG2 0.880 . 1.38 0.27 6.4047e-02 16686 1 1 1 1 36 LYS HG3 0.742 . 1.37 0.29 3.0348e-02 16686 1 1 1 1 36 LYS HD2 0.983 . 1.61 0.25 1.2142e-02 16686 1 1 1 1 36 LYS HD3 0.092 A 1.61 0.25 1.2633e-09 16686 1 1 1 1 36 LYS HE2 2.746 . 2.93 0.2 3.5757e-01 16686 1 1 1 1 36 LYS HE3 2.540 . 2.93 0.2 5.1176e-02 16686 1 1 1 1 36 LYS N 119.398 . 121.16 4.11 6.6813e-01 16686 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 36 LYS LYS 0.6 16686 1 1 1 1 36 LYS ARG 0.37 16686 1 1 1 1 36 LYS GLY 0.01 16686 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16686 _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 16686 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16686 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16686 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16686 _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_