data_AVS_bmrb_pdb_report_19858 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19858 _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 24 PRO Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19858 1 1 1 1 46 PRO Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 19858 1 1 1 1 51 TPO UNSUPPORTED . . . . . . . 19858 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 19858 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 24 PRO C 177.793 . 176.75 1.51 4.8974e-01 19858 1 1 1 1 24 PRO CB 32.613 . 31.85 1.18 5.1788e-01 19858 1 1 1 1 24 PRO CD 51.656 . 50.32 0.99 1.7718e-01 19858 1 1 1 1 24 PRO HB2 1.899 . 2.08 0.35 6.0506e-01 19858 1 1 1 1 24 PRO HG2 1.940 . 1.93 0.31 9.7427e-01 19858 1 1 1 1 24 PRO HD2 3.950 . 3.65 0.35 3.9137e-01 19858 1 1 1 1 24 PRO N 105.719 A 134.16 6.62 1.7373e-05 19858 1 1 1 1 46 PRO C 176.789 . 176.75 1.51 9.7939e-01 19858 1 1 1 1 46 PRO CB 31.441 . 31.85 1.18 7.2888e-01 19858 1 1 1 1 46 PRO CD 64.547 A 50.32 0.99 7.9020e-47 19858 1 1 1 1 46 PRO HB2 1.870 . 2.08 0.35 5.4851e-01 19858 1 1 1 1 46 PRO HD2 3.291 . 3.65 0.35 3.0503e-01 19858 1 1 1 1 46 PRO N 133.469 . 134.16 6.62 9.1687e-01 19858 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 24 PRO PRO 0.38 19858 1 1 1 1 24 PRO CYS 0.16 19858 1 1 1 1 24 PRO MET 0.15 19858 1 1 1 1 24 PRO HIS 0.06 19858 1 1 1 1 24 PRO LYS 0.06 19858 1 1 1 1 24 PRO ARG 0.05 19858 1 1 1 1 24 PRO GLN 0.05 19858 1 1 1 1 24 PRO TRP 0.03 19858 1 1 1 1 46 PRO VAL 0.7 19858 1 1 1 1 46 PRO CYS 0.2 19858 1 1 1 1 46 PRO ILE 0.05 19858 1 1 1 1 46 PRO TRP 0.02 19858 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19858 _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 19858 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19858 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19858 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19858 _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_