data_AVS_bmrb_pdb_report_18400 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18400 _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 1 ARG Anomalous Suspicious Consistent Suspicious Anomalous Indeterminable . . 18400 1 1 1 1 22 GLY Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 18400 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 1 ARG C 176.616 . 176.41 2.03 9.1917e-01 18400 1 1 1 1 1 ARG CA 55.659 . 56.77 2.31 6.3055e-01 18400 1 1 1 1 1 ARG CD 28.335 A 43.16 0.88 1.1114e-63 18400 1 1 1 1 1 ARG HA 4.046 . 4.3 0.46 5.8083e-01 18400 1 1 1 1 1 ARG HG2 1.664 . 1.57 0.27 7.2773e-01 18400 1 1 1 1 1 ARG HG3 1.664 . 1.54 0.29 6.6895e-01 18400 1 1 1 1 1 ARG HD2 1.921 S 3.12 0.24 5.8582e-07 18400 1 1 1 1 1 ARG HD3 1.921 S 3.1 0.26 5.7709e-06 18400 1 1 1 1 22 GLY C 172.841 . 173.87 1.88 5.8414e-01 18400 1 1 1 1 22 GLY CA 44.229 . 45.35 1.34 4.0284e-01 18400 1 1 1 1 22 GLY H 7.928 . 8.33 0.65 5.3627e-01 18400 1 1 1 1 22 GLY HA2 3.726 . 3.97 0.37 5.0960e-01 18400 1 1 1 1 22 GLY HA3 0.857 A 3.9 0.37 1.9629e-16 18400 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 1 ARG GLN 0.27 18400 1 1 1 1 1 ARG LYS 0.24 18400 1 1 1 1 1 ARG TRP 0.17 18400 1 1 1 1 1 ARG GLU 0.15 18400 1 1 1 1 1 ARG LEU 0.12 18400 1 1 1 1 1 ARG ILE 0.02 18400 1 1 1 1 22 GLY GLY 0.38 18400 1 1 1 1 22 GLY LEU 0.29 18400 1 1 1 1 22 GLY ARG 0.21 18400 1 1 1 1 22 GLY PHE 0.04 18400 1 1 1 1 22 GLY ASP 0.03 18400 1 1 1 1 22 GLY TYR 0.02 18400 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18400 _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 18400 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18400 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18400 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18400 _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_