data_AVS_bmrb_pdb_report_5392 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5392 _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 5392 1 1 1 1 49 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE3 > HB2" 0.9970 5392 1 1 1 1 49 LYS . . . . . . "HE3 > HB3" 0.9974 5392 1 1 1 1 49 LYS . . . . . . "HE3 > HD2" 0.9989 5392 1 1 1 1 49 LYS . . . . . . "HE3 > HD3" 0.9989 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 5392 1 1 1 1 49 LYS C 178.65 . 176.46 2.05 2.8539e-01 5392 1 1 1 1 49 LYS CA 59.58 . 56.84 2.25 2.2331e-01 5392 1 1 1 1 49 LYS CB 32.21 . 32.83 1.88 7.4156e-01 5392 1 1 1 1 49 LYS CG 25.45 . 24.91 1.31 6.8018e-01 5392 1 1 1 1 49 LYS CD 28.67 . 28.78 1.39 9.3692e-01 5392 1 1 1 1 49 LYS CE 41.80 . 41.78 0.98 9.8372e-01 5392 1 1 1 1 49 LYS H 7.86 . 8.22 0.64 5.7378e-01 5392 1 1 1 1 49 LYS HA 4.04 . 4.28 0.45 5.9380e-01 5392 1 1 1 1 49 LYS HB2 1.37 . 1.79 0.25 9.2957e-02 5392 1 1 1 1 49 LYS HB3 1.58 . 1.78 0.26 4.4176e-01 5392 1 1 1 1 49 LYS HG2 0.65 . 1.38 0.27 6.8571e-03 5392 1 1 1 1 49 LYS HG3 0.81 . 1.37 0.29 5.3479e-02 5392 1 1 1 1 49 LYS HD2 0.99 . 1.61 0.25 1.3138e-02 5392 1 1 1 1 49 LYS HD3 1.04 . 1.61 0.25 2.2608e-02 5392 1 1 1 1 49 LYS HE2 1.86 S 2.93 0.2 8.7954e-08 5392 1 1 1 1 49 LYS HE3 0.95 M 2.93 0.2 4.1628e-23 5392 1 1 1 1 49 LYS N 118.64 . 121.16 4.11 5.3978e-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 5392 1 1 1 1 49 LYS LYS 0.66 5392 1 1 1 1 49 LYS ARG 0.3 5392 1 1 1 1 49 LYS MET 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5392 _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 5392 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 5392 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5392 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5392 _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_