data_AVS_bmrb_pdb_report_15089 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15089 _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 39 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE3 > HB2" 0.9970 15089 1 1 1 1 39 LYS . . . . . . "HE3 > HB3" 0.9974 15089 1 1 1 1 39 LYS . . . . . . "HE3 > HD2" 0.9989 15089 1 1 1 1 39 LYS . . . . . . "HE3 > HD3" 0.9989 15089 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 39 LYS C 177.8 . 176.46 2.05 5.1333e-01 15089 1 1 1 1 39 LYS CA 61.2 . 56.84 2.25 5.2650e-02 15089 1 1 1 1 39 LYS CB 34.1 . 32.83 1.88 4.9934e-01 15089 1 1 1 1 39 LYS CG 27.3 . 24.91 1.31 6.8088e-02 15089 1 1 1 1 39 LYS CD 30.2 . 28.78 1.39 3.0698e-01 15089 1 1 1 1 39 LYS CE 39.9 . 41.78 0.98 5.5065e-02 15089 1 1 1 1 39 LYS H 8.09 . 8.22 0.64 8.3904e-01 15089 1 1 1 1 39 LYS HA 3.55 . 4.28 0.45 1.0476e-01 15089 1 1 1 1 39 LYS HB2 1.57 . 1.79 0.25 3.7886e-01 15089 1 1 1 1 39 LYS HB3 1.32 . 1.78 0.26 7.6855e-02 15089 1 1 1 1 39 LYS HG2 0.89 . 1.38 0.27 6.9553e-02 15089 1 1 1 1 39 LYS HG3 0.32 S 1.37 0.29 2.9382e-04 15089 1 1 1 1 39 LYS HD2 1.08 . 1.61 0.25 3.4006e-02 15089 1 1 1 1 39 LYS HD3 1.08 . 1.61 0.25 3.4006e-02 15089 1 1 1 1 39 LYS HE2 1.82 S 2.93 0.2 2.8567e-08 15089 1 1 1 1 39 LYS HE3 1.01 A 2.93 0.2 7.9944e-22 15089 1 1 1 1 39 LYS N 114.9 . 121.16 4.11 1.2773e-01 15089 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 39 LYS LYS 0.56 15089 1 1 1 1 39 LYS ARG 0.36 15089 1 1 1 1 39 LYS MET 0.07 15089 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15089 _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 15089 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15089 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15089 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15089 _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_