data_AVS_bmrb_pdb_report_25142 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25142 _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 13 ARG Anomalous Suspicious Suspicious Suspicious Anomalous Consistent "HD2 > HB2" 0.9950 25142 1 1 1 1 13 ARG . . . . . . "HD2 > HB3" 0.9951 25142 1 1 1 1 13 ARG . . . . . . "HD2 > HG2" 0.9976 25142 1 1 1 1 13 ARG . . . . . . "CD > CB" 0.9978 25142 1 1 1 1 13 ARG . . . . . . "CD > CG" 0.9985 25142 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 13 ARG C 175.831 . 176.41 2.03 7.7547e-01 25142 1 1 1 1 13 ARG CA 56.210 . 56.77 2.31 8.0845e-01 25142 1 1 1 1 13 ARG CB 30.073 . 30.7 1.83 7.3188e-01 25142 1 1 1 1 13 ARG CG 43.422 A 27.21 1.2 1.3652e-41 25142 1 1 1 1 13 ARG CD 27.121 A 43.16 0.88 3.2016e-74 25142 1 1 1 1 13 ARG H 8.439 . 8.24 0.61 7.4425e-01 25142 1 1 1 1 13 ARG HA 4.317 . 4.3 0.46 9.7052e-01 25142 1 1 1 1 13 ARG HB2 1.787 . 1.79 0.27 9.9113e-01 25142 1 1 1 1 13 ARG HB3 1.787 . 1.76 0.28 9.2318e-01 25142 1 1 1 1 13 ARG HG2 3.145 S 1.57 0.27 5.4331e-09 25142 1 1 1 1 13 ARG HD2 1.617 S 3.12 0.24 3.7885e-10 25142 1 1 1 1 13 ARG N 123.166 . 120.8 3.68 5.2027e-01 25142 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 13 ARG CYS 0.89 25142 1 1 1 1 13 ARG LYS 0.08 25142 1 1 1 1 13 ARG LEU 0.02 25142 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25142 _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 25142 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25142 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25142 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25142 _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_