data_AVS_bmrb_pdb_report_17750 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17750 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 85 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE3 > HB2" 0.9970 17750 1 1 1 1 85 LYS . . . . . . "HE3 > HB3" 0.9974 17750 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 85 LYS C 173.500 . 176.46 2.05 1.4877e-01 17750 1 1 1 1 85 LYS CA 57.105 . 56.84 2.25 9.0624e-01 17750 1 1 1 1 85 LYS CB 36.707 . 32.83 1.88 3.9185e-02 17750 1 1 1 1 85 LYS CG 26.628 . 24.91 1.31 1.8971e-01 17750 1 1 1 1 85 LYS CD 29.025 . 28.78 1.39 8.6009e-01 17750 1 1 1 1 85 LYS CE 41.610 . 41.78 0.98 8.6228e-01 17750 1 1 1 1 85 LYS H 9.076 . 8.22 0.64 1.8106e-01 17750 1 1 1 1 85 LYS HA 4.370 . 4.28 0.45 8.4148e-01 17750 1 1 1 1 85 LYS HB2 1.613 . 1.79 0.25 4.7895e-01 17750 1 1 1 1 85 LYS HB3 1.139 . 1.78 0.26 1.3687e-02 17750 1 1 1 1 85 LYS HG2 0.136 S 1.38 0.27 4.0772e-06 17750 1 1 1 1 85 LYS HG3 0.721 . 1.37 0.29 2.5226e-02 17750 1 1 1 1 85 LYS HD2 0.216 A 1.61 0.25 2.4611e-08 17750 1 1 1 1 85 LYS HD3 0.216 A 1.61 0.25 2.4611e-08 17750 1 1 1 1 85 LYS HE2 2.034 S 2.93 0.2 7.4643e-06 17750 1 1 1 1 85 LYS HE3 0.989 A 2.93 0.2 2.8708e-22 17750 1 1 1 1 85 LYS N 119.248 . 121.16 4.11 6.4178e-01 17750 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 85 LYS CYS 0.5 17750 1 1 1 1 85 LYS ARG 0.31 17750 1 1 1 1 85 LYS LYS 0.16 17750 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17750 _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.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 17750 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17750 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17750 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17750 _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_