data_AVS_bmrb_pdb_report_5398 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5398 _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 5398 1 1 1 1 150 LYS Anomalous Consistent Consistent Consistent Anomalous 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 5398 1 1 1 1 150 LYS C 181.7 M 176.46 2.05 1.0585e-02 5398 1 1 1 1 150 LYS CA 60.00 . 56.84 2.25 1.6019e-01 5398 1 1 1 1 150 LYS CB 31.96 . 32.83 1.88 6.4353e-01 5398 1 1 1 1 150 LYS CG 25.70 . 24.91 1.31 5.4647e-01 5398 1 1 1 1 150 LYS CD 29.39 . 28.78 1.39 6.6077e-01 5398 1 1 1 1 150 LYS CE 41.42 . 41.78 0.98 7.1336e-01 5398 1 1 1 1 150 LYS H 8.941 . 8.22 0.64 2.5993e-01 5398 1 1 1 1 150 LYS HA 4.157 . 4.28 0.45 7.8460e-01 5398 1 1 1 1 150 LYS HB2 1.856 . 1.79 0.25 7.9178e-01 5398 1 1 1 1 150 LYS HB3 1.856 . 1.78 0.26 7.7005e-01 5398 1 1 1 1 150 LYS HG2 1.303 . 1.38 0.27 7.7550e-01 5398 1 1 1 1 150 LYS HG3 1.656 . 1.37 0.29 3.2403e-01 5398 1 1 1 1 150 LYS HD2 1.586 . 1.61 0.25 9.2352e-01 5398 1 1 1 1 150 LYS HD3 1.586 . 1.61 0.25 9.2352e-01 5398 1 1 1 1 150 LYS HE2 2.918 . 2.93 0.2 9.5216e-01 5398 1 1 1 1 150 LYS HE3 2.918 . 2.93 0.2 9.5216e-01 5398 1 1 1 1 150 LYS N 123.1 . 121.16 4.11 6.3691e-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 5398 1 1 1 1 150 LYS LYS 0.42 5398 1 1 1 1 150 LYS CYS 0.41 5398 1 1 1 1 150 LYS ARG 0.14 5398 1 1 1 1 150 LYS MET 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5398 _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 5398 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 5398 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5398 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5398 _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_