data_AVS_bmrb_pdb_report_5963 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5963 _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 5963 1 1 1 1 18 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 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 5963 1 1 1 1 18 LYS C 178.952 . 176.46 2.05 2.2413e-01 5963 1 1 1 1 18 LYS CA 55.203 . 56.84 2.25 4.6689e-01 5963 1 1 1 1 18 LYS CB 28.621 . 32.83 1.88 2.5167e-02 5963 1 1 1 1 18 LYS CD 28.813 . 28.78 1.39 9.8106e-01 5963 1 1 1 1 18 LYS CE 41.526 . 41.78 0.98 7.9549e-01 5963 1 1 1 1 18 LYS H 7.655 . 8.22 0.64 3.7734e-01 5963 1 1 1 1 18 LYS HA 4.346 . 4.28 0.45 8.8340e-01 5963 1 1 1 1 18 LYS HB2 1.659 . 1.79 0.25 6.0028e-01 5963 1 1 1 1 18 LYS HB3 1.659 . 1.78 0.26 6.4166e-01 5963 1 1 1 1 18 LYS HG2 0.888 . 1.38 0.27 6.8421e-02 5963 1 1 1 1 18 LYS HG3 0.888 . 1.37 0.29 9.6499e-02 5963 1 1 1 1 18 LYS HD2 -0.102 M 1.61 0.25 7.4890e-12 5963 1 1 1 1 18 LYS HD3 -0.102 M 1.61 0.25 7.4890e-12 5963 1 1 1 1 18 LYS HE2 3.061 . 2.93 0.2 5.1247e-01 5963 1 1 1 1 18 LYS HE3 3.061 . 2.93 0.2 5.1247e-01 5963 1 1 1 1 18 LYS N 121.423 . 121.16 4.11 9.4898e-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 5963 1 1 1 1 18 LYS CYS 0.46 5963 1 1 1 1 18 LYS ARG 0.28 5963 1 1 1 1 18 LYS LYS 0.17 5963 1 1 1 1 18 LYS LEU 0.06 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5963 _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 5963 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 5963 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5963 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5963 _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_