data_AVS_bmrb_pdb_report_813 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 813 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 813 1 1 1 1 46 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 813 1 1 1 1 48 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 813 1 1 1 1 63 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 813 1 1 1 1 71 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 813 1 1 1 1 80 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 813 1 1 1 1 83 ASP Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 813 1 1 1 1 120 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 813 1 1 1 1 46 HIS HB2 18.5 M 3.12 0.43 0.0000e+00 813 1 1 1 1 46 HIS HB3 -5.3 M 3.11 0.45 6.0970e-78 813 1 1 1 1 46 HIS HD2 40.5 M 7.08 0.5 0.0000e+00 813 1 1 1 1 46 HIS HE1 25.5 M 8.08 0.57 0.0000e+00 813 1 1 1 1 46 HIS HE2 48.6 M 10.43 3.11 1.2599e-34 813 1 1 1 1 48 HIS HD1 36.3 M 10.14 3.5 7.7624e-14 813 1 1 1 1 48 HIS HD2 29.9 M 7.08 0.5 0.0000e+00 813 1 1 1 1 48 HIS HE1 21.4 M 8.08 0.57 0.0000e+00 813 1 1 1 1 63 HIS HD2 65.4 M 7.08 0.5 0.0000e+00 813 1 1 1 1 71 HIS HD2 50.2 M 7.08 0.5 0.0000e+00 813 1 1 1 1 80 HIS HD2 48.6 M 7.08 0.5 0.0000e+00 813 1 1 1 1 83 ASP HB2 36.3 M 2.74 0.29 0.0000e+00 813 1 1 1 1 83 ASP HB3 36.3 M 2.7 0.29 0.0000e+00 813 1 1 1 1 120 HIS HD1 56.9 M 10.14 3.5 1.0356e-40 813 1 1 1 1 120 HIS HD2 24.5 M 7.08 0.5 0.0000e+00 813 1 1 1 1 120 HIS HE1 38.7 M 8.08 0.57 0.0000e+00 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 813 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 813 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 813 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 813 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 813 _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_