data_AVS_bmrb_pdb_report_19851 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19851 _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 96 ARG Anomalous Consistent Suspicious Anomalous Suspicious Consistent "HD2 > HB2" 0.9950 19851 1 1 1 1 96 ARG . . . . . . "HD3 > HB2" 0.9950 19851 1 1 1 1 96 ARG . . . . . . "HD3 > HG2" 0.9974 19851 1 1 1 1 96 ARG . . . . . . "HD3 > HG3" 0.9982 19851 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 96 ARG CA 58.915 . 56.77 2.31 3.5311e-01 19851 1 1 1 1 96 ARG CB 27.369 . 30.7 1.83 6.8726e-02 19851 1 1 1 1 96 ARG CG 26.329 . 27.21 1.2 4.6285e-01 19851 1 1 1 1 96 ARG CD 39.996 S 43.16 0.88 3.2383e-04 19851 1 1 1 1 96 ARG H 8.366 . 8.24 0.61 8.3636e-01 19851 1 1 1 1 96 ARG HA 3.710 . 4.3 0.46 1.9963e-01 19851 1 1 1 1 96 ARG HB2 1.232 . 1.79 0.27 3.8766e-02 19851 1 1 1 1 96 ARG HB3 0.236 S 1.76 0.28 5.2433e-08 19851 1 1 1 1 96 ARG HG2 0.641 S 1.57 0.27 5.8012e-04 19851 1 1 1 1 96 ARG HG3 0.469 S 1.54 0.29 2.2153e-04 19851 1 1 1 1 96 ARG HD2 1.227 S 3.12 0.24 3.0830e-15 19851 1 1 1 1 96 ARG HD3 0.424 A 3.1 0.26 7.6325e-25 19851 1 1 1 1 96 ARG N 118.985 . 120.8 3.68 6.2187e-01 19851 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 96 ARG LEU 0.85 19851 1 1 1 1 96 ARG LYS 0.13 19851 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19851 _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 19851 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19851 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19851 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19851 _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_