data_AVS_bmrb_pdb_report_26801 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 26801 _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 85 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 26801 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 85 LYS CA 53.627 . 56.95 2.2 1.3093e-01 26801 1 1 1 1 85 LYS CB 34.954 . 32.79 1.78 2.2409e-01 26801 1 1 1 1 85 LYS CG 22.886 . 24.89 1.13 7.6154e-02 26801 1 1 1 1 85 LYS CD 28.780 . 28.96 1.08 8.6763e-01 26801 1 1 1 1 85 LYS CE 42.241 . 41.89 0.82 6.6862e-01 26801 1 1 1 1 85 LYS H 9.513 . 8.19 0.6 2.7454e-02 26801 1 1 1 1 85 LYS HA 5.315 . 4.27 0.44 1.7549e-02 26801 1 1 1 1 85 LYS HB2 1.533 . 1.78 0.25 3.2315e-01 26801 1 1 1 1 85 LYS HB3 0.816 S 1.74 0.27 6.2112e-04 26801 1 1 1 1 85 LYS HG2 1.010 . 1.37 0.26 1.6617e-01 26801 1 1 1 1 85 LYS HG3 1.010 . 1.35 0.28 2.2464e-01 26801 1 1 1 1 85 LYS HD2 -0.917 A 1.61 0.22 1.5448e-30 26801 1 1 1 1 85 LYS HD3 0.714 S 1.6 0.22 5.6428e-05 26801 1 1 1 1 85 LYS HE2 2.362 . 2.92 0.19 3.3157e-03 26801 1 1 1 1 85 LYS HE3 2.078 S 2.91 0.2 3.1825e-05 26801 1 1 1 1 85 LYS N 126.417 . 121.05 3.77 1.5456e-01 26801 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 85 LYS CYS 0.47 26801 1 1 1 1 85 LYS LYS 0.29 26801 1 1 1 1 85 LYS ALA 0.14 26801 1 1 1 1 85 LYS ARG 0.05 26801 1 1 1 1 85 LYS GLY 0.02 26801 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 26801 _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 26801 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 26801 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 26801 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 26801 _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_