data_AVS_bmrb_pdb_report_18934 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18934 _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 8 LYS Anomalous Suspicious Consistent Suspicious Anomalous Consistent . . 18934 1 1 1 2 1 MG UNSUPPORTED . . . . . . . 18934 1 1 1 3 1 DGT UNSUPPORTED . . . . . . . 18934 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 8 LYS C 176.772 . 176.64 2 9.4738e-01 18934 1 1 1 1 8 LYS CA 57.835 . 56.95 2.2 6.8748e-01 18934 1 1 1 1 8 LYS CB 29.780 . 32.79 1.78 9.0835e-02 18934 1 1 1 1 8 LYS CG 24.356 . 24.89 1.13 6.3652e-01 18934 1 1 1 1 8 LYS CD 40.584 A 28.96 1.08 5.1488e-27 18934 1 1 1 1 8 LYS H 8.402 . 8.19 0.6 7.2384e-01 18934 1 1 1 1 8 LYS HA 3.764 . 4.27 0.44 2.5014e-01 18934 1 1 1 1 8 LYS HB2 1.870 . 1.78 0.25 7.1885e-01 18934 1 1 1 1 8 LYS HB3 1.778 . 1.74 0.27 8.8807e-01 18934 1 1 1 1 8 LYS HG2 1.622 . 1.37 0.26 3.3243e-01 18934 1 1 1 1 8 LYS HG3 1.622 . 1.35 0.28 3.3134e-01 18934 1 1 1 1 8 LYS HD2 3.140 S 1.61 0.22 3.5370e-12 18934 1 1 1 1 8 LYS HD3 3.140 S 1.6 0.22 2.5596e-12 18934 1 1 1 1 8 LYS N 120.263 . 121.05 3.77 8.3464e-01 18934 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 8 LYS CYS 0.93 18934 1 1 1 1 8 LYS LEU 0.05 18934 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18934 _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 18934 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18934 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18934 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18934 _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_