data_AVS_bmrb_pdb_report_30598 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30598 _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 30 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 30598 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 30 ILE C 183.885 A 175.85 1.92 2.8530e-05 30598 1 1 1 1 30 ILE CA 65.539 . 61.61 2.68 1.4264e-01 30598 1 1 1 1 30 ILE CB 37.865 . 38.63 2.02 7.0490e-01 30598 1 1 1 1 30 ILE CG1 29.807 . 27.71 1.68 2.1195e-01 30598 1 1 1 1 30 ILE CG2 16.764 . 17.53 1.36 5.7327e-01 30598 1 1 1 1 30 ILE CD1 13.906 . 13.43 1.67 7.7562e-01 30598 1 1 1 1 30 ILE H 8.315 . 8.28 0.68 9.5895e-01 30598 1 1 1 1 30 ILE HA 3.943 . 4.18 0.56 6.7214e-01 30598 1 1 1 1 30 ILE HB 1.775 . 1.78 0.29 9.8624e-01 30598 1 1 1 1 30 ILE HG12 1.357 . 1.28 0.4 8.4735e-01 30598 1 1 1 1 30 ILE HG13 0.884 . 1.19 0.41 4.5546e-01 30598 1 1 1 1 30 ILE HG21 0.821 . 0.77 0.27 8.5018e-01 30598 1 1 1 1 30 ILE HG22 0.821 . 0.77 0.27 8.5018e-01 30598 1 1 1 1 30 ILE HG23 0.821 . 0.77 0.27 8.5018e-01 30598 1 1 1 1 30 ILE HD11 0.747 . 0.68 0.29 8.1729e-01 30598 1 1 1 1 30 ILE HD12 0.747 . 0.68 0.29 8.1729e-01 30598 1 1 1 1 30 ILE HD13 0.747 . 0.68 0.29 8.1729e-01 30598 1 1 1 1 30 ILE N 123.265 . 121.46 4.28 6.7322e-01 30598 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 30 ILE ILE 0.85 30598 1 1 1 1 30 ILE CYS 0.14 30598 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30598 _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 30598 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30598 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30598 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30598 _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_