data_AVS_bmrb_pdb_report_15983 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15983 _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 PFX UNSUPPORTED . . . . . . . 15983 1 1 1 1 10 LYS Anomalous Indeterminable Consistent Unknown Anomalous Consistent . . 15983 1 1 1 1 22 NLE UNSUPPORTED . . . . . . . 15983 1 1 1 1 237 NH UNSUPPORTED . . . . . . . 15983 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 10 LYS C 60.26 A 176.64 2 0.0000e+00 15983 1 1 1 1 10 LYS H 8.34 . 8.19 0.6 8.0259e-01 15983 1 1 1 1 10 LYS HA 3.87 . 4.27 0.44 3.6330e-01 15983 1 1 1 1 10 LYS HB2 1.78 . 1.78 0.25 1.0000e+00 15983 1 1 1 1 10 LYS HB3 1.86 . 1.74 0.27 6.5672e-01 15983 1 1 1 1 10 LYS HG2 1.49 . 1.37 0.26 6.4441e-01 15983 1 1 1 1 10 LYS HG3 1.49 . 1.35 0.28 6.1707e-01 15983 1 1 1 1 10 LYS HD2 1.68 . 1.61 0.22 7.5035e-01 15983 1 1 1 1 10 LYS HD3 1.68 . 1.6 0.22 7.1613e-01 15983 1 1 1 1 10 LYS HE2 3.25 . 2.92 0.19 8.2415e-02 15983 1 1 1 1 10 LYS HE3 3.25 . 2.91 0.2 8.9131e-02 15983 1 1 1 1 10 LYS HZ1 7.34 U . 0 . 15983 1 1 1 1 10 LYS HZ2 7.34 U . 0 . 15983 1 1 1 1 10 LYS HZ3 7.34 U . 0 . 15983 1 1 1 1 10 LYS N 124.13 . 121.05 3.77 4.1394e-01 15983 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15983 _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 15983 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15983 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15983 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15983 _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_