data_AVS_bmrb_pdb_report_17827 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17827 _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 81 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17827 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 81 LYS C 176.601 . 176.46 2.05 9.4516e-01 17827 1 1 1 1 81 LYS CA 54.660 . 56.84 2.25 3.3260e-01 17827 1 1 1 1 81 LYS CB 28.540 . 32.83 1.88 2.2494e-02 17827 1 1 1 1 81 LYS CG 23.470 . 24.91 1.31 2.7166e-01 17827 1 1 1 1 81 LYS CD 27.900 . 28.78 1.39 5.2667e-01 17827 1 1 1 1 81 LYS CE 42.020 . 41.78 0.98 8.0654e-01 17827 1 1 1 1 81 LYS H 7.865 . 8.22 0.64 5.7911e-01 17827 1 1 1 1 81 LYS HA 4.435 . 4.28 0.45 7.3051e-01 17827 1 1 1 1 81 LYS HB2 1.325 . 1.79 0.25 6.2886e-02 17827 1 1 1 1 81 LYS HG2 0.810 . 1.38 0.27 3.4763e-02 17827 1 1 1 1 81 LYS HG3 0.370 S 1.37 0.29 5.6418e-04 17827 1 1 1 1 81 LYS HD2 0.570 S 1.61 0.25 3.1825e-05 17827 1 1 1 1 81 LYS HD3 0.105 A 1.61 0.25 1.7442e-09 17827 1 1 1 1 81 LYS HE2 2.445 . 2.93 0.2 1.5308e-02 17827 1 1 1 1 81 LYS HE3 2.515 . 2.93 0.2 3.7987e-02 17827 1 1 1 1 81 LYS N 119.766 . 121.16 4.11 7.3448e-01 17827 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 81 LYS CYS 0.32 17827 1 1 1 1 81 LYS ARG 0.31 17827 1 1 1 1 81 LYS LEU 0.2 17827 1 1 1 1 81 LYS LYS 0.1 17827 1 1 1 1 81 LYS ALA 0.02 17827 1 1 1 1 81 LYS GLY 0.01 17827 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17827 _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 17827 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17827 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17827 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17827 _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_