data_AVS_bmrb_pdb_report_27744 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27744 _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 56 LYS Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 27744 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 56 LYS C 175.625 . 176.64 2 6.1180e-01 27744 1 1 1 1 56 LYS CA 56.774 . 56.95 2.2 9.3624e-01 27744 1 1 1 1 56 LYS CB 28.812 . 32.79 1.78 2.5428e-02 27744 1 1 1 1 56 LYS CD 42.868 A 28.96 1.08 6.0039e-38 27744 1 1 1 1 56 LYS H 7.939 . 8.19 0.6 6.7570e-01 27744 1 1 1 1 56 LYS HA 3.917 . 4.27 0.44 4.2240e-01 27744 1 1 1 1 56 LYS HB2 1.922 . 1.78 0.25 5.7003e-01 27744 1 1 1 1 56 LYS HB3 2.116 . 1.74 0.27 1.6374e-01 27744 1 1 1 1 56 LYS HG2 1.466 . 1.37 0.26 7.1196e-01 27744 1 1 1 1 56 LYS HG3 1.442 . 1.35 0.28 7.4248e-01 27744 1 1 1 1 56 LYS HD2 1.662 . 1.61 0.22 8.1315e-01 27744 1 1 1 1 56 LYS HD3 1.662 . 1.6 0.22 7.7808e-01 27744 1 1 1 1 56 LYS HE2 3.057 . 2.92 0.19 4.7088e-01 27744 1 1 1 1 56 LYS HE3 3.057 . 2.91 0.2 4.6234e-01 27744 1 1 1 1 56 LYS N 115.196 . 121.05 3.77 1.2047e-01 27744 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 56 LYS ARG 0.39 27744 1 1 1 1 56 LYS CYS 0.39 27744 1 1 1 1 56 LYS LEU 0.14 27744 1 1 1 1 56 LYS GLY 0.03 27744 1 1 1 1 56 LYS ILE 0.02 27744 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27744 _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 27744 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27744 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27744 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27744 _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_