data_AVS_bmrb_pdb_report_50507 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50507 _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 47 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HG2" 0.9976 50507 1 1 1 1 47 ARG . . . . . . "HD3 > HG2" 0.9974 50507 1 1 1 1 47 ARG . . . . . . "HD2 > HG3" 0.9983 50507 1 1 1 1 47 ARG . . . . . . "HD3 > HG3" 0.9982 50507 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 47 ARG C 173.759 . 176.41 2.03 1.9158e-01 50507 1 1 1 1 47 ARG CA 56.085 . 56.77 2.31 7.6682e-01 50507 1 1 1 1 47 ARG CB 28.897 . 30.7 1.83 3.2450e-01 50507 1 1 1 1 47 ARG CD 42.892 . 43.16 0.88 7.6071e-01 50507 1 1 1 1 47 ARG H 8.010 . 8.24 0.61 7.0614e-01 50507 1 1 1 1 47 ARG HA 3.008 . 4.3 0.46 4.9743e-03 50507 1 1 1 1 47 ARG HB2 -1.358 A 1.79 0.27 2.0583e-31 50507 1 1 1 1 47 ARG HB3 -1.350 A 1.76 0.28 1.1581e-28 50507 1 1 1 1 47 ARG HG2 0.925 . 1.57 0.27 1.6899e-02 50507 1 1 1 1 47 ARG HG3 0.660 . 1.54 0.29 2.4095e-03 50507 1 1 1 1 47 ARG HD2 0.104 A 3.12 0.24 3.2202e-36 50507 1 1 1 1 47 ARG HD3 0.104 A 3.1 0.26 1.0094e-30 50507 1 1 1 1 47 ARG N 131.224 . 120.8 3.68 4.6170e-03 50507 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 47 ARG ARG 0.42 50507 1 1 1 1 47 ARG LYS 0.36 50507 1 1 1 1 47 ARG LEU 0.15 50507 1 1 1 1 47 ARG GLY 0.03 50507 1 1 1 1 47 ARG ILE 0.01 50507 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50507 _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 50507 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50507 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50507 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50507 _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_