data_AVS_bmrb_pdb_report_4426 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4426 _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 48 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 4426 1 1 1 2 1 BTN UNSUPPORTED . . . . . . . 4426 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 48 LYS CA 56.612 . 56.95 2.2 8.7790e-01 4426 1 1 1 1 48 LYS CB 29.178 . 32.79 1.78 4.2437e-02 4426 1 1 1 1 48 LYS CG 24.581 . 24.89 1.13 7.8451e-01 4426 1 1 1 1 48 LYS CD 30.099 . 28.96 1.08 2.9159e-01 4426 1 1 1 1 48 LYS CE 42.614 . 41.89 0.82 3.7728e-01 4426 1 1 1 1 48 LYS H 9.262 . 8.19 0.6 7.3992e-02 4426 1 1 1 1 48 LYS HA 3.845 . 4.27 0.44 3.3409e-01 4426 1 1 1 1 48 LYS HB2 2.217 . 1.78 0.25 8.0464e-02 4426 1 1 1 1 48 LYS HB3 2.032 . 1.74 0.27 2.7948e-01 4426 1 1 1 1 48 LYS HG2 1.299 . 1.37 0.26 7.8479e-01 4426 1 1 1 1 48 LYS HD2 1.521 . 1.61 0.22 6.8581e-01 4426 1 1 1 1 48 LYS HD3 1.346 . 1.6 0.22 2.4828e-01 4426 1 1 1 1 48 LYS HE2 3.138 . 2.92 0.19 2.5123e-01 4426 1 1 1 1 48 LYS HE3 3.138 . 2.91 0.2 2.5429e-01 4426 1 1 1 1 48 LYS HZ1 8.064 U . 0 . 4426 1 1 1 1 48 LYS HZ2 8.064 U . 0 . 4426 1 1 1 1 48 LYS HZ3 8.064 U . 0 . 4426 1 1 1 1 48 LYS N 110.260 . 121.05 3.77 4.2089e-03 4426 1 1 1 1 48 LYS NZ 131.04 A 33.81 2.81 0.0000e+00 4426 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 48 LYS CYS 0.48 4426 1 1 1 1 48 LYS ARG 0.31 4426 1 1 1 1 48 LYS LYS 0.17 4426 1 1 1 1 48 LYS GLY 0.02 4426 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4426 _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 4426 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4426 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4426 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4426 _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_