data_AVS_bmrb_pdb_report_4719 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4719 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4719 1 1 1 1 129 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HE3" 0.9935 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4719 1 1 1 1 129 LYS C 175.75 . 176.46 2.05 7.2909e-01 4719 1 1 1 1 129 LYS CA 55.31 . 56.84 2.25 4.9650e-01 4719 1 1 1 1 129 LYS CB 35.97 . 32.83 1.88 9.4877e-02 4719 1 1 1 1 129 LYS CG 25.13 . 24.91 1.31 8.6663e-01 4719 1 1 1 1 129 LYS H 9.33 . 8.22 0.64 8.2852e-02 4719 1 1 1 1 129 LYS HA 5.05 . 4.28 0.45 8.7061e-02 4719 1 1 1 1 129 LYS HB2 1.87 . 1.79 0.25 7.4897e-01 4719 1 1 1 1 129 LYS HB3 1.87 . 1.78 0.26 7.2923e-01 4719 1 1 1 1 129 LYS HG2 1.43 . 1.38 0.27 8.5308e-01 4719 1 1 1 1 129 LYS HG3 1.24 . 1.37 0.29 6.5395e-01 4719 1 1 1 1 129 LYS HE2 3.12 . 2.93 0.2 3.4211e-01 4719 1 1 1 1 129 LYS HE3 6.83 M 2.93 0.2 1.0978e-84 4719 1 1 1 1 129 LYS N 123.69 . 121.16 4.11 5.3818e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4719 1 1 1 1 129 LYS CYS 0.58 4719 1 1 1 1 129 LYS LYS 0.25 4719 1 1 1 1 129 LYS MET 0.04 4719 1 1 1 1 129 LYS ILE 0.03 4719 1 1 1 1 129 LYS GLU 0.03 4719 1 1 1 1 129 LYS GLN 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4719 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 4719 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 4719 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4719 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4719 _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_