data_AVS_bmrb_pdb_report_27743 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27743 _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 83 GLY Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 27743 1 1 1 1 84 ARG Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 27743 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 83 GLY CA 42.805 . 45.35 1.34 5.7531e-02 27743 1 1 1 1 83 GLY H 121.881 A 8.33 0.65 0.0000e+00 27743 1 1 1 1 83 GLY N 7.732 A 109.67 3.87 0.0000e+00 27743 1 1 1 1 84 ARG CA 55.687 . 56.77 2.31 6.3919e-01 27743 1 1 1 1 84 ARG CB 26.660 . 30.7 1.83 2.7269e-02 27743 1 1 1 1 84 ARG H 121.881 A 8.24 0.61 0.0000e+00 27743 1 1 1 1 84 ARG N 7.730 A 120.8 3.68 0.0000e+00 27743 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 83 GLY LEU 0.32 27743 1 1 1 1 83 GLY ARG 0.27 27743 1 1 1 1 83 GLY LYS 0.1 27743 1 1 1 1 83 GLY ASP 0.09 27743 1 1 1 1 83 GLY PHE 0.07 27743 1 1 1 1 83 GLY TYR 0.04 27743 1 1 1 1 83 GLY CYS 0.03 27743 1 1 1 1 83 GLY GLY 0.02 27743 1 1 1 1 83 GLY ILE 0.01 27743 1 1 1 1 84 ARG LEU 0.36 27743 1 1 1 1 84 ARG CYS 0.16 27743 1 1 1 1 84 ARG GLN 0.12 27743 1 1 1 1 84 ARG LYS 0.09 27743 1 1 1 1 84 ARG HIS 0.07 27743 1 1 1 1 84 ARG TRP 0.06 27743 1 1 1 1 84 ARG GLU 0.04 27743 1 1 1 1 84 ARG ARG 0.02 27743 1 1 1 1 84 ARG ILE 0.02 27743 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27743 _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 27743 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27743 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27743 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27743 _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_