data_AVS_bmrb_pdb_report_11468 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11468 _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 94 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11468 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 94 ILE C 178.840 . 175.85 1.92 1.1940e-01 11468 1 1 1 1 94 ILE CA 65.848 . 61.61 2.68 1.1380e-01 11468 1 1 1 1 94 ILE CB 36.866 . 38.63 2.02 3.8252e-01 11468 1 1 1 1 94 ILE CG1 25.783 . 27.71 1.68 2.5137e-01 11468 1 1 1 1 94 ILE CG2 17.075 . 17.53 1.36 7.3796e-01 11468 1 1 1 1 94 ILE CD1 14.488 . 13.43 1.67 5.2639e-01 11468 1 1 1 1 94 ILE H 8.115 . 8.28 0.68 8.0828e-01 11468 1 1 1 1 94 ILE HA 2.971 . 4.18 0.56 3.0856e-02 11468 1 1 1 1 94 ILE HB 1.653 . 1.78 0.29 6.6144e-01 11468 1 1 1 1 94 ILE HG12 0.821 . 1.28 0.4 2.5117e-01 11468 1 1 1 1 94 ILE HG13 -2.074 A 1.19 0.41 1.7069e-15 11468 1 1 1 1 94 ILE HG21 -0.232 S 0.77 0.27 2.0635e-04 11468 1 1 1 1 94 ILE HG22 -0.232 S 0.77 0.27 2.0635e-04 11468 1 1 1 1 94 ILE HG23 -0.232 S 0.77 0.27 2.0635e-04 11468 1 1 1 1 94 ILE HD11 -0.165 . 0.68 0.29 3.5707e-03 11468 1 1 1 1 94 ILE HD12 -0.165 . 0.68 0.29 3.5707e-03 11468 1 1 1 1 94 ILE HD13 -0.165 . 0.68 0.29 3.5707e-03 11468 1 1 1 1 94 ILE N 121.148 . 121.46 4.28 9.4189e-01 11468 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 94 ILE ILE 0.87 11468 1 1 1 1 94 ILE CYS 0.12 11468 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11468 _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 11468 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11468 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11468 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11468 _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_