data_AVS_bmrb_pdb_report_18235 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18235 _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 81 ILE Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CG1 > CG2" 0.9944 18235 1 1 1 1 81 ILE . . . . . . "CG1 > CD1" 0.9935 18235 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 81 ILE C 176.8 . 175.85 1.92 6.2075e-01 18235 1 1 1 1 81 ILE CA 66.7 . 61.61 2.68 5.7531e-02 18235 1 1 1 1 81 ILE CB 36.5 . 38.63 2.02 2.9167e-01 18235 1 1 1 1 81 ILE CG1 13.1 S 27.71 1.68 3.4249e-18 18235 1 1 1 1 81 ILE CG2 18.3 . 17.53 1.36 5.7127e-01 18235 1 1 1 1 81 ILE CD1 30.6 A 13.43 1.67 8.5444e-25 18235 1 1 1 1 81 ILE H 7.96 . 8.28 0.68 6.3793e-01 18235 1 1 1 1 81 ILE HA 3.57 . 4.18 0.56 2.7603e-01 18235 1 1 1 1 81 ILE HB 2.14 . 1.78 0.29 2.1447e-01 18235 1 1 1 1 81 ILE HG12 1.00 . 1.28 0.4 4.8393e-01 18235 1 1 1 1 81 ILE HG13 1.00 . 1.19 0.41 6.4307e-01 18235 1 1 1 1 81 ILE HG21 1.07 . 0.77 0.27 2.6652e-01 18235 1 1 1 1 81 ILE HG22 1.07 . 0.77 0.27 2.6652e-01 18235 1 1 1 1 81 ILE HG23 1.07 . 0.77 0.27 2.6652e-01 18235 1 1 1 1 81 ILE HD11 0.84 . 0.68 0.29 5.8114e-01 18235 1 1 1 1 81 ILE HD12 0.84 . 0.68 0.29 5.8114e-01 18235 1 1 1 1 81 ILE HD13 0.84 . 0.68 0.29 5.8114e-01 18235 1 1 1 1 81 ILE N 121.5 . 121.46 4.28 9.9254e-01 18235 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 81 ILE CYS 0.99 18235 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18235 _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 18235 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18235 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18235 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18235 _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_