data_AVS_bmrb_pdb_report_50258 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50258 _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 42 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 50258 1 1 1 1 46 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 50258 1 1 1 1 111 GLU Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 50258 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 42 LYS C 175.966 . 176.64 2 7.3612e-01 50258 1 1 1 1 42 LYS CA 65.058 A 56.95 2.2 2.2829e-04 50258 1 1 1 1 42 LYS CB 30.365 . 32.79 1.78 1.7308e-01 50258 1 1 1 1 42 LYS H 8.629 . 8.19 0.6 4.6437e-01 50258 1 1 1 1 42 LYS N 117.764 . 121.05 3.77 3.8342e-01 50258 1 1 1 1 46 TRP C 182.611 A 176.12 2.01 1.2407e-03 50258 1 1 1 1 46 TRP CA 58.868 . 57.66 2.58 6.3963e-01 50258 1 1 1 1 46 TRP CB 30.243 . 30.01 2.01 9.0772e-01 50258 1 1 1 1 46 TRP H 7.209 . 8.29 0.79 1.7120e-01 50258 1 1 1 1 46 TRP N 112.900 . 121.68 4.18 3.5687e-02 50258 1 1 1 1 111 GLU C 178.428 . 176.87 1.95 4.2431e-01 50258 1 1 1 1 111 GLU CA 65.125 A 57.32 2.09 1.8813e-04 50258 1 1 1 1 111 GLU CB 30.797 . 30.01 1.72 6.4727e-01 50258 1 1 1 1 111 GLU H 5.805 S 8.33 0.59 1.8718e-05 50258 1 1 1 1 111 GLU N 113.592 . 120.67 3.48 4.1961e-02 50258 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 42 LYS VAL 0.35 50258 1 1 1 1 42 LYS PRO 0.3 50258 1 1 1 1 42 LYS ILE 0.16 50258 1 1 1 1 42 LYS CYS 0.15 50258 1 1 1 1 42 LYS TRP 0.02 50258 1 1 1 1 46 TRP CYS 0.17 50258 1 1 1 1 46 TRP TRP 0.17 50258 1 1 1 1 46 TRP GLU 0.14 50258 1 1 1 1 46 TRP ARG 0.12 50258 1 1 1 1 46 TRP HIS 0.11 50258 1 1 1 1 46 TRP GLN 0.09 50258 1 1 1 1 46 TRP LYS 0.06 50258 1 1 1 1 46 TRP MET 0.04 50258 1 1 1 1 46 TRP ILE 0.03 50258 1 1 1 1 46 TRP VAL 0.03 50258 1 1 1 1 111 GLU VAL 0.39 50258 1 1 1 1 111 GLU PRO 0.36 50258 1 1 1 1 111 GLU CYS 0.12 50258 1 1 1 1 111 GLU ILE 0.08 50258 1 1 1 1 111 GLU TRP 0.01 50258 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50258 _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 50258 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50258 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50258 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50258 _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_