data_AVS_bmrb_pdb_report_17853 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17853 _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 28 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17853 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 28 VAL C 183.949 A 175.62 1.9 1.1669e-05 17853 1 1 1 1 28 VAL CA 62.268 . 62.49 2.86 9.3813e-01 17853 1 1 1 1 28 VAL CB 32.416 . 32.73 1.79 8.6075e-01 17853 1 1 1 1 28 VAL CG1 23.700 . 21.49 1.36 1.0416e-01 17853 1 1 1 1 28 VAL CG2 23.700 . 21.26 1.56 1.1779e-01 17853 1 1 1 1 28 VAL H 8.008 . 8.29 0.67 6.7383e-01 17853 1 1 1 1 28 VAL HA 4.540 . 4.19 0.58 5.4621e-01 17853 1 1 1 1 28 VAL HB 1.834 . 1.98 0.32 6.4821e-01 17853 1 1 1 1 28 VAL HG11 0.943 . 0.83 0.26 6.6384e-01 17853 1 1 1 1 28 VAL HG12 0.943 . 0.83 0.26 6.6384e-01 17853 1 1 1 1 28 VAL HG13 0.943 . 0.83 0.26 6.6384e-01 17853 1 1 1 1 28 VAL HG21 0.904 . 0.8 0.28 7.1032e-01 17853 1 1 1 1 28 VAL HG22 0.904 . 0.8 0.28 7.1032e-01 17853 1 1 1 1 28 VAL HG23 0.904 . 0.8 0.28 7.1032e-01 17853 1 1 1 1 28 VAL N 121.831 . 121.14 4.54 8.7903e-01 17853 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 28 VAL CYS 0.64 17853 1 1 1 1 28 VAL VAL 0.35 17853 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17853 _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 17853 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17853 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17853 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17853 _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_