data_AVS_bmrb_pdb_report_17732 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17732 _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 52 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE3 > HB2" 0.9970 17732 1 1 1 1 52 LYS . . . . . . "HE3 > HB3" 0.9974 17732 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 17732 1 1 1 3 1 DC UNSUPPORTED . . . . . . . 17732 1 1 1 3 2 DG UNSUPPORTED . . . . . . . 17732 1 1 1 3 3 DC UNSUPPORTED . . . . . . . 17732 1 1 1 3 4 DC UNSUPPORTED . . . . . . . 17732 1 1 1 3 5 DT UNSUPPORTED . . . . . . . 17732 1 1 1 3 6 DT UNSUPPORTED . . . . . . . 17732 1 1 1 3 7 DT UNSUPPORTED . . . . . . . 17732 1 1 1 3 8 DG UNSUPPORTED . . . . . . . 17732 1 1 1 3 9 DA UNSUPPORTED . . . . . . . 17732 1 1 1 3 10 DC UNSUPPORTED . . . . . . . 17732 1 1 1 3 11 DC UNSUPPORTED . . . . . . . 17732 1 1 1 3 12 DA UNSUPPORTED . . . . . . . 17732 1 1 1 3 13 DG UNSUPPORTED . . . . . . . 17732 1 1 1 3 14 DC UNSUPPORTED . . . . . . . 17732 1 1 1 3 15 DG UNSUPPORTED . . . . . . . 17732 1 1 1 3 16 DC UNSUPPORTED . . . . . . . 17732 1 1 1 4 1 DG UNSUPPORTED . . . . . . . 17732 1 1 1 4 2 DC UNSUPPORTED . . . . . . . 17732 1 1 1 4 3 DG UNSUPPORTED . . . . . . . 17732 1 1 1 4 4 DC UNSUPPORTED . . . . . . . 17732 1 1 1 4 5 DT UNSUPPORTED . . . . . . . 17732 1 1 1 4 6 DG UNSUPPORTED . . . . . . . 17732 1 1 1 4 7 DG UNSUPPORTED . . . . . . . 17732 1 1 1 4 8 DT UNSUPPORTED . . . . . . . 17732 1 1 1 4 9 DC UNSUPPORTED . . . . . . . 17732 1 1 1 4 10 DA UNSUPPORTED . . . . . . . 17732 1 1 1 4 11 DA UNSUPPORTED . . . . . . . 17732 1 1 1 4 12 DA UNSUPPORTED . . . . . . . 17732 1 1 1 4 13 DG UNSUPPORTED . . . . . . . 17732 1 1 1 4 14 DG UNSUPPORTED . . . . . . . 17732 1 1 1 4 15 DC UNSUPPORTED . . . . . . . 17732 1 1 1 4 16 DG UNSUPPORTED . . . . . . . 17732 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 52 LYS CA 54.0 . 56.95 2.2 1.7995e-01 17732 1 1 1 1 52 LYS H 9.34 . 8.19 0.6 5.5280e-02 17732 1 1 1 1 52 LYS HA 5.11 . 4.27 0.44 5.6250e-02 17732 1 1 1 1 52 LYS HB2 0.92 S 1.78 0.25 5.8171e-04 17732 1 1 1 1 52 LYS HB3 0.72 S 1.74 0.27 1.5823e-04 17732 1 1 1 1 52 LYS HG2 0.27 S 1.37 0.26 2.3289e-05 17732 1 1 1 1 52 LYS HG3 0.20 S 1.35 0.28 4.0058e-05 17732 1 1 1 1 52 LYS HD2 -0.07 S 1.61 0.22 2.2344e-14 17732 1 1 1 1 52 LYS HD3 -0.18 S 1.6 0.22 5.9221e-16 17732 1 1 1 1 52 LYS HE2 1.51 S 2.92 0.19 1.1619e-13 17732 1 1 1 1 52 LYS HE3 0.57 A 2.91 0.2 1.2745e-31 17732 1 1 1 1 52 LYS N 120.7 . 121.05 3.77 9.2603e-01 17732 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 52 LYS ASN 0.19 17732 1 1 1 1 52 LYS ASP 0.17 17732 1 1 1 1 52 LYS ALA 0.15 17732 1 1 1 1 52 LYS LEU 0.1 17732 1 1 1 1 52 LYS HIS 0.06 17732 1 1 1 1 52 LYS ARG 0.05 17732 1 1 1 1 52 LYS GLN 0.05 17732 1 1 1 1 52 LYS CYS 0.04 17732 1 1 1 1 52 LYS LYS 0.04 17732 1 1 1 1 52 LYS TRP 0.03 17732 1 1 1 1 52 LYS GLU 0.02 17732 1 1 1 1 52 LYS TYR 0.02 17732 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17732 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 17732 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17732 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17732 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17732 _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_