data_AVS_bmrb_pdb_report_15954 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15954 _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 47 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HB2" 0.9970 15954 1 1 1 1 47 LYS . . . . . . "HE3 > HB2" 0.9970 15954 1 1 1 1 47 LYS . . . . . . "HE2 > HB3" 0.9957 15954 1 1 1 1 47 LYS . . . . . . "HE3 > HB3" 0.9974 15954 1 1 1 1 47 LYS . . . . . . "HE2 > HG2" 0.9988 15954 1 1 1 1 47 LYS . . . . . . "HE3 > HG2" 0.9993 15954 1 1 1 1 47 LYS . . . . . . "HE2 > HG3" 0.9987 15954 1 1 1 1 47 LYS . . . . . . "HE3 > HG3" 0.9993 15954 1 1 1 1 47 LYS . . . . . . "HE2 > HD2" 0.9981 15954 1 1 1 1 47 LYS . . . . . . "HE3 > HD2" 0.9989 15954 1 1 1 1 47 LYS . . . . . . "HE2 > HD3" 0.9989 15954 1 1 1 1 47 LYS . . . . . . "HE3 > HD3" 0.9989 15954 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 47 LYS CA 56.381 . 56.84 2.25 8.3835e-01 15954 1 1 1 1 47 LYS CB 33.613 . 32.83 1.88 6.7705e-01 15954 1 1 1 1 47 LYS CG 25.065 . 24.91 1.31 9.0581e-01 15954 1 1 1 1 47 LYS CD 29.011 . 28.78 1.39 8.6801e-01 15954 1 1 1 1 47 LYS CE 41.122 . 41.78 0.98 5.0195e-01 15954 1 1 1 1 47 LYS H 8.664 . 8.22 0.64 4.8784e-01 15954 1 1 1 1 47 LYS HA 4.542 . 4.28 0.45 5.6042e-01 15954 1 1 1 1 47 LYS HB2 1.866 . 1.79 0.25 7.6113e-01 15954 1 1 1 1 47 LYS HB3 1.741 . 1.78 0.26 8.8076e-01 15954 1 1 1 1 47 LYS HG2 1.410 . 1.38 0.27 9.1153e-01 15954 1 1 1 1 47 LYS HG3 1.410 . 1.37 0.29 8.9030e-01 15954 1 1 1 1 47 LYS HD2 1.696 . 1.61 0.25 7.3085e-01 15954 1 1 1 1 47 LYS HD3 1.696 . 1.61 0.25 7.3085e-01 15954 1 1 1 1 47 LYS HE2 1.377 S 2.93 0.2 8.1645e-15 15954 1 1 1 1 47 LYS HE3 1.377 A 2.93 0.2 8.1645e-15 15954 1 1 1 1 47 LYS N 124.002 . 121.16 4.11 4.8926e-01 15954 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 47 LYS LYS 0.44 15954 1 1 1 1 47 LYS CYS 0.43 15954 1 1 1 1 47 LYS ARG 0.09 15954 1 1 1 1 47 LYS MET 0.02 15954 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15954 _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 15954 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15954 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15954 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15954 _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_