data_AVS_bmrb_pdb_report_17816 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17816 _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 18 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 17816 1 1 1 1 19 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 17816 1 1 1 1 63 TYR Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HD1 > HA" 1.0000 17816 1 1 1 1 63 TYR . . . . . . "HD2 > HA" 1.0000 17816 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 18 HIS H 8.110 . 8.24 0.68 8.4839e-01 17816 1 1 1 1 18 HIS HA 2.994 S 4.61 0.43 1.7118e-04 17816 1 1 1 1 18 HIS HB2 0.864 S 3.1 0.36 5.2611e-10 17816 1 1 1 1 18 HIS HB3 -0.387 A 3.04 0.38 1.9082e-19 17816 1 1 1 1 18 HIS HD2 5.261 S 7 0.43 5.2505e-05 17816 1 1 1 1 18 HIS HE1 6.934 . 7.95 0.48 3.4288e-02 17816 1 1 1 1 19 HIS H 3.970 A 8.24 0.68 3.3986e-10 17816 1 1 1 1 19 HIS HA 3.467 . 4.61 0.43 7.8573e-03 17816 1 1 1 1 19 HIS HB2 1.641 S 3.1 0.36 5.0613e-05 17816 1 1 1 1 19 HIS HB3 2.168 . 3.04 0.38 2.1748e-02 17816 1 1 1 1 19 HIS HD1 11.973 . 8.68 2.62 2.0880e-01 17816 1 1 1 1 19 HIS HD2 6.457 . 7 0.43 2.0666e-01 17816 1 1 1 1 19 HIS HE1 7.378 . 7.95 0.48 2.3339e-01 17816 1 1 1 1 63 TYR H 7.496 . 8.32 0.73 2.5900e-01 17816 1 1 1 1 63 TYR HA 4.901 . 4.63 0.56 6.2844e-01 17816 1 1 1 1 63 TYR HB2 1.879 . 2.91 0.37 5.3283e-03 17816 1 1 1 1 63 TYR HB3 1.582 . 2.84 0.39 1.2569e-03 17816 1 1 1 1 63 TYR HD1 4.684 A 6.93 0.3 7.0645e-14 17816 1 1 1 1 63 TYR HD2 4.684 A 6.93 0.3 7.0645e-14 17816 1 1 1 1 63 TYR HE1 5.974 . 6.7 0.23 1.5966e-03 17816 1 1 1 1 63 TYR HE2 5.974 . 6.71 0.23 1.3743e-03 17816 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17816 _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 17816 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17816 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17816 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17816 _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_