data_AVS_bmrb_pdb_report_16739 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16739 _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 38 LYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16739 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 38 LYS C 173.6 . 176.46 2.05 1.6298e-01 16739 1 1 1 1 38 LYS CA 54.6 . 56.84 2.25 3.1947e-01 16739 1 1 1 1 38 LYS CB 34.1 . 32.83 1.88 4.9934e-01 16739 1 1 1 1 38 LYS CG 24.8 . 24.91 1.31 9.3308e-01 16739 1 1 1 1 38 LYS CD 28.8 . 28.78 1.39 9.8852e-01 16739 1 1 1 1 38 LYS CE 42.3 . 41.78 0.98 5.9569e-01 16739 1 1 1 1 38 LYS H 9.06 . 8.22 0.64 1.8935e-01 16739 1 1 1 1 38 LYS HA 4.33 . 4.28 0.45 9.1153e-01 16739 1 1 1 1 38 LYS HB2 1.57 . 1.79 0.25 3.7886e-01 16739 1 1 1 1 38 LYS HB3 1.16 . 1.78 0.26 1.7097e-02 16739 1 1 1 1 38 LYS HG2 1.16 . 1.38 0.27 4.1518e-01 16739 1 1 1 1 38 LYS HG3 1.23 . 1.37 0.29 6.2927e-01 16739 1 1 1 1 38 LYS HD2 1.24 . 1.61 0.25 1.3887e-01 16739 1 1 1 1 38 LYS HE2 3.01 . 2.93 0.2 6.8916e-01 16739 1 1 1 1 38 LYS N 137.0 A 121.16 4.11 1.1620e-04 16739 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 38 LYS LYS 0.53 16739 1 1 1 1 38 LYS CYS 0.42 16739 1 1 1 1 38 LYS GLY 0.01 16739 1 1 1 1 38 LYS MET 0.01 16739 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16739 _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 16739 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16739 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16739 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16739 _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_