data_AVS_bmrb_pdb_report_15652 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15652 _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 69 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 15652 1 1 1 1 69 ARG . . . . . . "HD3 > HB3" 0.9958 15652 1 1 1 1 69 ARG . . . . . . "HD3 > HG2" 0.9974 15652 1 1 1 1 69 ARG . . . . . . "HD3 > HG3" 0.9982 15652 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 69 ARG C 175.469 . 176.49 2.16 6.3644e-01 15652 1 1 1 1 69 ARG CA 54.384 . 56.95 2.41 2.8700e-01 15652 1 1 1 1 69 ARG CB 34.979 . 30.66 1.77 1.4683e-02 15652 1 1 1 1 69 ARG CG 27.663 . 27.31 1.65 8.3059e-01 15652 1 1 1 1 69 ARG CD 42.229 . 43.1 1.1 4.2847e-01 15652 1 1 1 1 69 ARG H 8.896 . 8.24 0.6 2.7425e-01 15652 1 1 1 1 69 ARG HA 4.888 . 4.27 0.44 1.6016e-01 15652 1 1 1 1 69 ARG HB2 1.841 . 1.79 0.28 8.5547e-01 15652 1 1 1 1 69 ARG HB3 1.501 . 1.78 0.28 3.1904e-01 15652 1 1 1 1 69 ARG HG2 1.508 . 1.58 0.27 7.8973e-01 15652 1 1 1 1 69 ARG HG3 1.113 . 1.58 0.27 8.3697e-02 15652 1 1 1 1 69 ARG HD2 2.357 S 3.13 0.23 7.7698e-04 15652 1 1 1 1 69 ARG HD3 0.892 A 3.13 0.22 2.6246e-24 15652 1 1 1 1 69 ARG N 123.599 . 120.61 3.9 4.4343e-01 15652 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 69 ARG CYS 0.51 15652 1 1 1 1 69 ARG LYS 0.38 15652 1 1 1 1 69 ARG ARG 0.07 15652 1 1 1 1 69 ARG GLY 0.02 15652 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15652 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 15652 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15652 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15652 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15652 _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_