data_AVS_bmrb_pdb_report_10299 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10299 _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 81 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 10299 1 1 1 1 81 ARG . . . . . . "HD3 > HB2" 0.9950 10299 1 1 1 1 81 ARG . . . . . . "HD2 > HB3" 0.9951 10299 1 1 1 1 81 ARG . . . . . . "HD3 > HB3" 0.9958 10299 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 81 ARG C 171.679 . 176.49 2.16 2.5926e-02 10299 1 1 1 1 81 ARG CA 55.411 . 56.95 2.41 5.2309e-01 10299 1 1 1 1 81 ARG CB 32.328 . 30.66 1.77 3.4600e-01 10299 1 1 1 1 81 ARG CG 24.635 . 27.31 1.65 1.0497e-01 10299 1 1 1 1 81 ARG CD 42.579 . 43.1 1.1 6.3576e-01 10299 1 1 1 1 81 ARG H 8.782 . 8.24 0.6 3.6635e-01 10299 1 1 1 1 81 ARG HA 4.425 . 4.27 0.44 7.2463e-01 10299 1 1 1 1 81 ARG HB2 1.558 . 1.79 0.28 4.0735e-01 10299 1 1 1 1 81 ARG HB3 1.378 . 1.78 0.28 1.5108e-01 10299 1 1 1 1 81 ARG HG2 0.796 . 1.58 0.27 3.6878e-03 10299 1 1 1 1 81 ARG HG3 0.569 S 1.58 0.27 1.8079e-04 10299 1 1 1 1 81 ARG HD2 1.357 A 3.13 0.23 1.2711e-14 10299 1 1 1 1 81 ARG HD3 1.357 S 3.13 0.22 7.6864e-16 10299 1 1 1 1 81 ARG HE 6.131 . 7.32 0.52 2.2223e-02 10299 1 1 1 1 81 ARG N 114.168 . 120.61 3.9 9.8576e-02 10299 1 1 1 1 81 ARG NE 118.933 . 89.8 12.83 2.3166e-02 10299 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 81 ARG LYS 0.41 10299 1 1 1 1 81 ARG CYS 0.37 10299 1 1 1 1 81 ARG ARG 0.18 10299 1 1 1 1 81 ARG GLY 0.02 10299 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10299 _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 10299 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10299 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10299 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10299 _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_