data_AVS_bmrb_pdb_report_5349 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5349 _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 56 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5349 1 1 1 2 1 DG UNSUPPORTED . . . . . . . 5349 1 1 1 2 2 DC UNSUPPORTED . . . . . . . 5349 1 1 1 2 3 DG UNSUPPORTED . . . . . . . 5349 1 1 1 2 4 DC UNSUPPORTED . . . . . . . 5349 1 1 1 2 5 DA UNSUPPORTED . . . . . . . 5349 1 1 1 2 6 DT UNSUPPORTED . . . . . . . 5349 1 1 1 2 7 DG UNSUPPORTED . . . . . . . 5349 1 1 1 2 8 DA UNSUPPORTED . . . . . . . 5349 1 1 1 2 9 DT UNSUPPORTED . . . . . . . 5349 1 1 1 2 10 DT UNSUPPORTED . . . . . . . 5349 1 1 1 2 11 DG UNSUPPORTED . . . . . . . 5349 1 1 1 2 12 DC UNSUPPORTED . . . . . . . 5349 1 1 1 2 13 DC UNSUPPORTED . . . . . . . 5349 1 1 1 2 14 DC UNSUPPORTED . . . . . . . 5349 1 1 1 2 15 DG UNSUPPORTED . . . . . . . 5349 1 1 1 2 16 DG UNSUPPORTED . . . . . . . 5349 1 1 1 2 17 DG UNSUPPORTED . . . . . . . 5349 1 1 1 2 18 DC UNSUPPORTED . . . . . . . 5349 1 1 1 2 19 DA UNSUPPORTED . . . . . . . 5349 1 1 1 2 20 DA UNSUPPORTED . . . . . . . 5349 1 1 1 2 21 DT UNSUPPORTED . . . . . . . 5349 1 1 1 2 22 DC UNSUPPORTED . . . . . . . 5349 1 1 1 2 23 DA UNSUPPORTED . . . . . . . 5349 1 1 1 2 24 DT UNSUPPORTED . . . . . . . 5349 1 1 1 2 25 DG UNSUPPORTED . . . . . . . 5349 1 1 1 2 26 DC UNSUPPORTED . . . . . . . 5349 1 1 1 2 27 DG UNSUPPORTED . . . . . . . 5349 1 1 1 2 28 DC UNSUPPORTED . . . . . . . 5349 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 56 LYS CA 58.1 . 56.84 2.25 5.7548e-01 5349 1 1 1 1 56 LYS CB 32.0 . 32.83 1.88 6.5886e-01 5349 1 1 1 1 56 LYS CG 21.6 . 24.91 1.31 1.1513e-02 5349 1 1 1 1 56 LYS CD 28.6 . 28.78 1.39 8.9697e-01 5349 1 1 1 1 56 LYS CE 41.4 . 41.78 0.98 6.9820e-01 5349 1 1 1 1 56 LYS H 8.31 . 8.22 0.64 8.8817e-01 5349 1 1 1 1 56 LYS HA 3.29 . 4.28 0.45 2.7807e-02 5349 1 1 1 1 56 LYS HB2 0.75 S 1.79 0.25 3.1825e-05 5349 1 1 1 1 56 LYS HB3 -0.06 S 1.78 0.26 1.4739e-12 5349 1 1 1 1 56 LYS HG2 -0.42 S 1.38 0.27 2.6168e-11 5349 1 1 1 1 56 LYS HG3 -0.85 A 1.37 0.29 1.9305e-14 5349 1 1 1 1 56 LYS HD2 0.87 . 1.61 0.25 3.0764e-03 5349 1 1 1 1 56 LYS HD3 0.12 A 1.61 0.25 2.5224e-09 5349 1 1 1 1 56 LYS HE2 2.14 S 2.93 0.2 7.8151e-05 5349 1 1 1 1 56 LYS HE3 2.14 S 2.93 0.2 7.8151e-05 5349 1 1 1 1 56 LYS N 121.6 . 121.16 4.11 9.1474e-01 5349 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 56 LYS CYS 0.51 5349 1 1 1 1 56 LYS ARG 0.24 5349 1 1 1 1 56 LYS LYS 0.11 5349 1 1 1 1 56 LYS MET 0.1 5349 1 1 1 1 56 LYS ALA 0.01 5349 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5349 _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 5349 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 5349 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 5349 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5349 _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_