data_AVS_bmrb_pdb_report_15796 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15796 _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 37 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15796 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 15796 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 37 VAL C 167.519 A 175.69 2.03 5.6946e-05 15796 1 1 1 1 37 VAL CA 58.259 . 62.48 3.04 1.6499e-01 15796 1 1 1 1 37 VAL CB 32.277 . 32.66 1.91 8.4107e-01 15796 1 1 1 1 37 VAL CG1 17.351 . 21.38 1.53 8.4551e-03 15796 1 1 1 1 37 VAL CG2 19.697 . 21.31 1.76 3.5942e-01 15796 1 1 1 1 37 VAL H 8.544 . 8.29 0.71 7.2053e-01 15796 1 1 1 1 37 VAL HA 4.877 . 4.16 0.57 2.0843e-01 15796 1 1 1 1 37 VAL HB 1.939 . 1.99 0.33 8.7718e-01 15796 1 1 1 1 37 VAL HG11 0.668 . 0.84 0.27 5.2410e-01 15796 1 1 1 1 37 VAL HG12 0.668 . 0.84 0.27 5.2410e-01 15796 1 1 1 1 37 VAL HG13 0.668 . 0.84 0.27 5.2410e-01 15796 1 1 1 1 37 VAL HG21 0.801 . 0.83 0.29 9.2034e-01 15796 1 1 1 1 37 VAL HG22 0.801 . 0.83 0.29 9.2034e-01 15796 1 1 1 1 37 VAL HG23 0.801 . 0.83 0.29 9.2034e-01 15796 1 1 1 1 37 VAL N 121.970 . 121.02 4.96 8.4811e-01 15796 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 37 VAL CYS 0.89 15796 1 1 1 1 37 VAL VAL 0.04 15796 1 1 1 1 37 VAL ALA 0.04 15796 1 1 1 1 37 VAL ILE 0.01 15796 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15796 _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 15796 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15796 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15796 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15796 _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_