data_AVS_bmrb_pdb_report_17694 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17694 _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 1 139 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 17694 1 1 1 1 139 ARG . . . . . . "HD3 > HB2" 0.9950 17694 1 1 1 1 139 ARG . . . . . . "HD2 > HB3" 0.9951 17694 1 1 1 1 139 ARG . . . . . . "HD3 > HB3" 0.9958 17694 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 1 139 ARG C 170.150 . 176.41 2.03 2.0441e-03 17694 1 1 1 1 139 ARG CA 54.920 . 56.77 2.31 4.2321e-01 17694 1 1 1 1 139 ARG CB 32.930 . 30.7 1.83 2.2300e-01 17694 1 1 1 1 139 ARG CG 24.896 . 27.21 1.2 5.3814e-02 17694 1 1 1 1 139 ARG CD 40.595 . 43.16 0.88 3.5595e-03 17694 1 1 1 1 139 ARG H 9.780 . 8.24 0.61 1.1583e-02 17694 1 1 1 1 139 ARG HA 5.550 . 4.3 0.46 6.5799e-03 17694 1 1 1 1 139 ARG HB2 1.390 . 1.79 0.27 1.3848e-01 17694 1 1 1 1 139 ARG HB3 1.070 . 1.76 0.28 1.3729e-02 17694 1 1 1 1 139 ARG HD2 0.810 A 3.12 0.24 6.2707e-22 17694 1 1 1 1 139 ARG HD3 -0.690 A 3.1 0.26 3.9387e-48 17694 1 1 1 1 139 ARG N 120.540 . 120.8 3.68 9.4367e-01 17694 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 1 139 ARG LYS 0.97 17694 1 1 1 1 139 ARG ARG 0.01 17694 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17694 _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 17694 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17694 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17694 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17694 _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_