data_AVS_bmrb_pdb_report_16664 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16664 _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 1 100 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16664 1 1 1 1 147 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16664 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 1 100 LYS C 182.32 A 176.46 2.05 4.2560e-03 16664 1 1 1 1 100 LYS CA 59.20 . 56.84 2.25 2.9423e-01 16664 1 1 1 1 100 LYS H 8.793 . 8.22 0.64 3.7062e-01 16664 1 1 1 1 100 LYS N 121.817 . 121.16 4.11 8.7300e-01 16664 1 1 1 1 147 LYS C 181.66 A 176.46 2.05 1.1194e-02 16664 1 1 1 1 147 LYS CA 59.19 . 56.84 2.25 2.9628e-01 16664 1 1 1 1 147 LYS H 8.288 . 8.22 0.64 9.1538e-01 16664 1 1 1 1 147 LYS HA 4.34 . 4.28 0.45 8.9393e-01 16664 1 1 1 1 147 LYS N 118.375 . 121.16 4.11 4.9802e-01 16664 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 1 100 LYS SER 0.12 16664 1 1 1 1 100 LYS PHE 0.11 16664 1 1 1 1 100 LYS TYR 0.1 16664 1 1 1 1 100 LYS CYS 0.09 16664 1 1 1 1 100 LYS TRP 0.09 16664 1 1 1 1 100 LYS GLU 0.06 16664 1 1 1 1 100 LYS ILE 0.06 16664 1 1 1 1 100 LYS ARG 0.05 16664 1 1 1 1 100 LYS LYS 0.04 16664 1 1 1 1 100 LYS VAL 0.04 16664 1 1 1 1 100 LYS THR 0.04 16664 1 1 1 1 100 LYS GLN 0.03 16664 1 1 1 1 100 LYS HIS 0.03 16664 1 1 1 1 100 LYS MET 0.03 16664 1 1 1 1 100 LYS LEU 0.01 16664 1 1 1 1 147 LYS SER 0.12 16664 1 1 1 1 147 LYS PHE 0.11 16664 1 1 1 1 147 LYS TYR 0.1 16664 1 1 1 1 147 LYS CYS 0.09 16664 1 1 1 1 147 LYS TRP 0.09 16664 1 1 1 1 147 LYS GLU 0.06 16664 1 1 1 1 147 LYS ILE 0.06 16664 1 1 1 1 147 LYS ARG 0.05 16664 1 1 1 1 147 LYS LYS 0.04 16664 1 1 1 1 147 LYS VAL 0.04 16664 1 1 1 1 147 LYS THR 0.04 16664 1 1 1 1 147 LYS GLN 0.03 16664 1 1 1 1 147 LYS HIS 0.03 16664 1 1 1 1 147 LYS MET 0.03 16664 1 1 1 1 147 LYS LEU 0.01 16664 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16664 _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 16664 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16664 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16664 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16664 _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_