data_AVS_bmrb_pdb_report_34026 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34026 _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 45 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 34026 1 1 1 1 45 ARG . . . . . . "HD2 > HB3" 0.9951 34026 1 1 1 1 45 ARG . . . . . . "HD2 > HG2" 0.9976 34026 1 1 1 1 45 ARG . . . . . . "HD2 > HG3" 0.9983 34026 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 45 ARG CA 54.616 . 56.77 2.31 3.5110e-01 34026 1 1 1 1 45 ARG CB 33.038 . 30.7 1.83 2.0139e-01 34026 1 1 1 1 45 ARG CG 24.742 . 27.21 1.2 3.9718e-02 34026 1 1 1 1 45 ARG CD 42.625 . 43.16 0.88 5.4322e-01 34026 1 1 1 1 45 ARG H 8.589 . 8.24 0.61 5.6723e-01 34026 1 1 1 1 45 ARG HA 4.448 . 4.3 0.46 7.4765e-01 34026 1 1 1 1 45 ARG HB2 1.013 . 1.79 0.27 4.0049e-03 34026 1 1 1 1 45 ARG HB3 1.266 . 1.76 0.28 7.7684e-02 34026 1 1 1 1 45 ARG HG2 1.938 . 1.57 0.27 1.7289e-01 34026 1 1 1 1 45 ARG HG3 1.799 . 1.54 0.29 3.7180e-01 34026 1 1 1 1 45 ARG HD2 0.456 A 3.12 0.24 1.2544e-28 34026 1 1 1 1 45 ARG HD3 2.161 S 3.1 0.26 3.0439e-04 34026 1 1 1 1 45 ARG N 112.786 . 120.8 3.68 2.9427e-02 34026 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 45 ARG LYS 0.8 34026 1 1 1 1 45 ARG ARG 0.14 34026 1 1 1 1 45 ARG GLY 0.04 34026 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34026 _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 34026 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34026 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34026 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34026 _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_