data_AVS_bmrb_pdb_report_15782 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15782 _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 1 112 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15782 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 1 112 LYS C 169.4 A 176.46 2.05 5.7338e-04 15782 1 1 1 1 112 LYS CA 57.7 . 56.84 2.25 7.0230e-01 15782 1 1 1 1 112 LYS CB 33.9 . 32.83 1.88 5.6926e-01 15782 1 1 1 1 112 LYS CG 24.6 . 24.91 1.31 8.1294e-01 15782 1 1 1 1 112 LYS H 7.76 . 8.22 0.64 4.7230e-01 15782 1 1 1 1 112 LYS HA 4.21 . 4.28 0.45 8.7638e-01 15782 1 1 1 1 112 LYS HB2 1.83 . 1.79 0.25 8.7288e-01 15782 1 1 1 1 112 LYS HB3 1.69 . 1.78 0.26 7.2923e-01 15782 1 1 1 1 112 LYS HG2 1.38 . 1.38 0.27 1.0000e+00 15782 1 1 1 1 112 LYS HG3 1.38 . 1.37 0.29 9.7249e-01 15782 1 1 1 1 112 LYS HD2 1.70 . 1.61 0.25 7.1885e-01 15782 1 1 1 1 112 LYS HD3 1.70 . 1.61 0.25 7.1885e-01 15782 1 1 1 1 112 LYS HE2 2.98 . 2.93 0.2 8.0259e-01 15782 1 1 1 1 112 LYS HE3 2.98 . 2.93 0.2 8.0259e-01 15782 1 1 1 1 112 LYS N 126.6 . 121.16 4.11 1.8564e-01 15782 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 1 112 LYS CYS 0.4 15782 1 1 1 1 112 LYS LYS 0.37 15782 1 1 1 1 112 LYS MET 0.06 15782 1 1 1 1 112 LYS GLN 0.05 15782 1 1 1 1 112 LYS ARG 0.04 15782 1 1 1 1 112 LYS VAL 0.03 15782 1 1 1 1 112 LYS ILE 0.01 15782 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15782 _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 15782 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15782 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15782 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15782 _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_