data_AVS_bmrb_pdb_report_15981 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15981 _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 79 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15981 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 79 ILE C 175.200 . 175.82 1.95 7.5052e-01 15981 1 1 1 1 79 ILE CA 60.204 . 61.59 2.78 6.1809e-01 15981 1 1 1 1 79 ILE CB 45.181 A 38.58 2.09 1.5865e-03 15981 1 1 1 1 79 ILE CG1 31.958 . 27.65 2.32 6.3326e-02 15981 1 1 1 1 79 ILE CG2 16.150 . 17.36 1.6 4.4950e-01 15981 1 1 1 1 79 ILE CD1 15.985 . 13.41 1.91 1.7760e-01 15981 1 1 1 1 79 ILE H 8.117 . 8.26 0.71 8.4038e-01 15981 1 1 1 1 79 ILE HA 4.744 . 4.2 0.56 3.3134e-01 15981 1 1 1 1 79 ILE HB 1.266 . 1.8 0.31 8.4964e-02 15981 1 1 1 1 79 ILE HG12 1.489 . 1.3 0.4 6.3657e-01 15981 1 1 1 1 79 ILE HG13 1.816 . 1.24 0.4 1.4987e-01 15981 1 1 1 1 79 ILE HG21 0.866 . 0.8 0.29 8.1997e-01 15981 1 1 1 1 79 ILE HG22 0.866 . 0.8 0.29 8.1997e-01 15981 1 1 1 1 79 ILE HG23 0.866 . 0.8 0.29 8.1997e-01 15981 1 1 1 1 79 ILE HD11 0.723 . 0.7 0.3 9.3889e-01 15981 1 1 1 1 79 ILE HD12 0.723 . 0.7 0.3 9.3889e-01 15981 1 1 1 1 79 ILE HD13 0.723 . 0.7 0.3 9.3889e-01 15981 1 1 1 1 79 ILE N 115.277 . 121.6 4.72 1.8037e-01 15981 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 79 ILE GLY 0.57 15981 1 1 1 1 79 ILE CYS 0.42 15981 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15981 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 15981 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15981 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15981 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15981 _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_