data_AVS_bmrb_pdb_report_330 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 330 _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 19 HEC UNSUPPORTED . . . . . . . 330 1 1 1 1 22 HEC UNSUPPORTED . . . . . . . 330 1 1 1 1 23 HIS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HA > HB3" 0.9952 330 1 1 1 1 35 PRO Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 330 1 1 1 1 85 MET Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 330 1 1 1 2 1 HEC UNSUPPORTED . . . . . . . 330 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 23 HIS HA 8.82 S 4.61 0.43 1.2344e-22 330 1 1 1 1 23 HIS HB2 8.82 A 3.1 0.36 7.5657e-57 330 1 1 1 1 23 HIS HB3 14.9 A 3.04 0.38 0.0000e+00 330 1 1 1 1 23 HIS HD2 24.9 A 7 0.43 0.0000e+00 330 1 1 1 1 23 HIS HE1 -26.5 A 7.95 0.48 0.0000e+00 330 1 1 1 1 35 PRO HD2 1.71 S 3.65 0.35 2.9758e-08 330 1 1 1 1 35 PRO HD3 5.75 A 3.61 0.39 4.0840e-08 330 1 1 1 1 85 MET HG2 2.5 . 2.42 0.35 8.1920e-01 330 1 1 1 1 85 MET HG3 30.7 A 2.39 0.38 0.0000e+00 330 1 1 1 1 85 MET HE1 -23.4 A 1.89 0.46 0.0000e+00 330 1 1 1 1 85 MET HE2 -23.4 A 1.89 0.46 0.0000e+00 330 1 1 1 1 85 MET HE3 -23.4 A 1.89 0.46 0.0000e+00 330 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 330 _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 330 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 330 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 330 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 330 _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_