data_AVS_bmrb_pdb_report_6241 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6241 _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 6241 1 1 1 1 125 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 6241 1 1 1 1 125 LYS C 176.910 . 176.46 2.05 8.2625e-01 6241 1 1 1 1 125 LYS CA 55.210 . 56.84 2.25 4.6879e-01 6241 1 1 1 1 125 LYS CB 31.986 . 32.83 1.88 6.5348e-01 6241 1 1 1 1 125 LYS CG 24.420 . 24.91 1.31 7.0837e-01 6241 1 1 1 1 125 LYS CD 29.732 . 28.78 1.39 4.9341e-01 6241 1 1 1 1 125 LYS CE 41.965 . 41.78 0.98 8.5027e-01 6241 1 1 1 1 125 LYS H 8.076 . 8.22 0.64 8.2198e-01 6241 1 1 1 1 125 LYS HA 4.335 . 4.28 0.45 9.0272e-01 6241 1 1 1 1 125 LYS HB2 1.125 . 1.79 0.25 7.8141e-03 6241 1 1 1 1 125 LYS HB3 -0.584 M 1.78 0.26 9.6959e-20 6241 1 1 1 1 125 LYS HG2 0.610 . 1.38 0.27 4.3465e-03 6241 1 1 1 1 125 LYS HG3 -0.184 S 1.37 0.29 8.3860e-08 6241 1 1 1 1 125 LYS HD2 1.410 . 1.61 0.25 4.2371e-01 6241 1 1 1 1 125 LYS HD3 1.342 . 1.61 0.25 2.8372e-01 6241 1 1 1 1 125 LYS HE2 2.821 . 2.93 0.2 5.8575e-01 6241 1 1 1 1 125 LYS HE3 2.746 . 2.93 0.2 3.5757e-01 6241 1 1 1 1 125 LYS N 128.062 . 121.16 4.11 9.3090e-02 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 6241 1 1 1 1 125 LYS LYS 0.41 6241 1 1 1 1 125 LYS CYS 0.34 6241 1 1 1 1 125 LYS ARG 0.16 6241 1 1 1 1 125 LYS MET 0.06 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6241 _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 6241 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 6241 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6241 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6241 _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_