data_AVS_bmrb_pdb_report_18114 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18114 _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 20 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 18114 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 20 ILE CA 51.0749 A 61.61 2.68 8.4591e-05 18114 1 1 1 1 20 ILE CD1 13.7438 . 13.43 1.67 8.5095e-01 18114 1 1 1 1 20 ILE H 7.8473 . 8.28 0.68 5.2457e-01 18114 1 1 1 1 20 ILE HA 3.8317 . 4.18 0.56 5.3397e-01 18114 1 1 1 1 20 ILE HB 1.8595 . 1.78 0.29 7.8398e-01 18114 1 1 1 1 20 ILE HG13 1.2057 . 1.19 0.41 9.6945e-01 18114 1 1 1 1 20 ILE HG21 0.8640 . 0.77 0.27 7.2773e-01 18114 1 1 1 1 20 ILE HG22 0.8640 . 0.77 0.27 7.2773e-01 18114 1 1 1 1 20 ILE HG23 0.8640 . 0.77 0.27 7.2773e-01 18114 1 1 1 1 20 ILE HD11 0.8390 . 0.68 0.29 5.8350e-01 18114 1 1 1 1 20 ILE HD12 0.8390 . 0.68 0.29 5.8350e-01 18114 1 1 1 1 20 ILE HD13 0.8390 . 0.68 0.29 5.8350e-01 18114 1 1 1 1 20 ILE N 117.2802 . 121.46 4.28 3.2877e-01 18114 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 20 ILE ILE 0.95 18114 1 1 1 1 20 ILE GLY 0.04 18114 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18114 _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 18114 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18114 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18114 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18114 _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_