data_AVS_bmrb_pdb_report_4800 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4800 _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 69 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 4800 1 1 1 1 106 MET Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 4800 1 1 1 2 1 HEC UNSUPPORTED . . . . . . . 4800 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 69 HIS HD1 10.47 D 8.68 2.62 4.9448e-01 4800 1 1 1 1 69 HIS HD2 0.50 A 7 0.43 1.2649e-51 4800 1 1 1 1 69 HIS HE1 0.57 A 7.95 0.48 2.4084e-53 4800 1 1 1 1 106 MET HB2 -1.87 A 2.03 0.34 1.8539e-30 4800 1 1 1 1 106 MET HB3 0.27 S 1.99 0.34 4.2185e-07 4800 1 1 1 1 106 MET HG2 -2.20 A 2.42 0.35 8.7735e-40 4800 1 1 1 1 106 MET HG3 -0.94 A 2.39 0.38 1.8986e-18 4800 1 1 1 1 106 MET HE1 -2.51 A 1.89 0.46 1.1197e-21 4800 1 1 1 1 106 MET HE2 -2.51 A 1.89 0.46 1.1197e-21 4800 1 1 1 1 106 MET HE3 -2.51 A 1.89 0.46 1.1197e-21 4800 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4800 _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 4800 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4800 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4800 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4800 _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_