data_AVS_bmrb_pdb_report_16365 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16365 _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 51 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16365 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 51 ILE C 176.7 . 175.85 1.92 6.5798e-01 16365 1 1 1 1 51 ILE CA 65.6 . 61.61 2.68 1.3654e-01 16365 1 1 1 1 51 ILE CB 37.1 . 38.63 2.02 4.4880e-01 16365 1 1 1 1 51 ILE CG1 29.0 . 27.71 1.68 4.4257e-01 16365 1 1 1 1 51 ILE CG2 14.9 . 17.53 1.36 5.3135e-02 16365 1 1 1 1 51 ILE CD1 14.8 . 13.43 1.67 4.1201e-01 16365 1 1 1 1 51 ILE H 8.42 . 8.28 0.68 8.3688e-01 16365 1 1 1 1 51 ILE HA 2.89 . 4.18 0.56 2.1247e-02 16365 1 1 1 1 51 ILE HB 1.30 . 1.78 0.29 9.7890e-02 16365 1 1 1 1 51 ILE HG12 0.28 . 1.28 0.4 1.2419e-02 16365 1 1 1 1 51 ILE HG13 1.62 . 1.19 0.41 2.9428e-01 16365 1 1 1 1 51 ILE HG21 0.80 . 0.77 0.27 9.1153e-01 16365 1 1 1 1 51 ILE HG22 0.80 . 0.77 0.27 9.1153e-01 16365 1 1 1 1 51 ILE HG23 0.80 . 0.77 0.27 9.1153e-01 16365 1 1 1 1 51 ILE HD11 -1.31 A 0.68 0.29 6.7870e-12 16365 1 1 1 1 51 ILE HD12 -1.31 A 0.68 0.29 6.7870e-12 16365 1 1 1 1 51 ILE HD13 -1.31 A 0.68 0.29 6.7870e-12 16365 1 1 1 1 51 ILE N 121.0 . 121.46 4.28 9.1441e-01 16365 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 51 ILE ILE 0.68 16365 1 1 1 1 51 ILE CYS 0.31 16365 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16365 _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 16365 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16365 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16365 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16365 _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_