data_AVS_bmrb_pdb_report_11058 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11058 _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 1 221 LYS UNSUPPORTED . . . . . . .11058 1 1 1 1 1 HIS Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 11058 1 1 1 1 6 PHE Anomalous Suspicious Consistent Indeterminable Anomalous Consistent . . 11058 1 1 1 1 15 LYS Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 11058 1 1 1 1 20 LYS Anomalous Consistent Consistent Indeterminable Consistent Anomalous . . 11058 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 1 HIS C 174 . 175.19 2.14 5.7816e-01 11058 1 1 1 1 1 HIS CA 55 . 56.37 2.4 5.6811e-01 11058 1 1 1 1 1 HIS CB 32 . 29.95 2.15 3.4034e-01 11058 1 1 1 1 1 HIS CG 131 . 130.59 3.41 9.0430e-01 11058 1 1 1 1 1 HIS N 32 A 119.44 4.52 2.2403e-83 11058 1 1 1 1 6 PHE C 174 . 175.49 2.13 4.8422e-01 11058 1 1 1 1 6 PHE CA 56 . 58.25 2.73 4.0984e-01 11058 1 1 1 1 6 PHE CB 44 . 39.95 2.04 4.7112e-02 11058 1 1 1 1 6 PHE CG 133 A 138.35 1.12 1.7812e-06 11058 1 1 1 1 6 PHE CD1 133 . 131.38 1.38 2.4043e-01 11058 1 1 1 1 6 PHE CD2 133 . 131.33 1.48 2.5916e-01 11058 1 1 1 1 6 PHE CZ 128 . 129.11 1.68 5.0880e-01 11058 1 1 1 1 6 PHE N 126 . 120.69 4.18 2.0397e-01 11058 1 1 1 1 15 LYS C 174 . 176.46 2.05 2.3014e-01 11058 1 1 1 1 15 LYS CA 54 . 56.84 2.25 2.0687e-01 11058 1 1 1 1 15 LYS CB 36 . 32.83 1.88 9.1763e-02 11058 1 1 1 1 15 LYS CG 26 . 24.91 1.31 4.0537e-01 11058 1 1 1 1 15 LYS CD 29 . 28.78 1.39 8.7424e-01 11058 1 1 1 1 15 LYS CE 42 . 41.78 0.98 8.2238e-01 11058 1 1 1 1 15 LYS NZ 30 A 71.86 52.41 4.2446e-01 11058 1 1 1 1 20 LYS C 174 . 176.46 2.05 2.3014e-01 11058 1 1 1 1 20 LYS CA 54 . 56.84 2.25 2.0687e-01 11058 1 1 1 1 20 LYS CB 36 . 32.83 1.88 9.1763e-02 11058 1 1 1 1 20 LYS CG 26 . 24.91 1.31 4.0537e-01 11058 1 1 1 1 20 LYS CD 28 . 28.78 1.39 5.7469e-01 11058 1 1 1 1 20 LYS CE 42 . 41.78 0.98 8.2238e-01 11058 1 1 1 1 20 LYS N 126 . 121.16 4.11 2.3895e-01 11058 1 1 1 1 20 LYS NZ 30 A 71.86 52.41 4.2446e-01 11058 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 1 HIS HIS 0.98 11058 1 1 1 1 6 PHE GLY 0.99 11058 1 1 1 1 15 LYS ARG 0.49 11058 1 1 1 1 15 LYS LYS 0.47 11058 1 1 1 1 15 LYS GLY 0.02 11058 1 1 1 1 20 LYS LYS 0.56 11058 1 1 1 1 20 LYS ARG 0.39 11058 1 1 1 1 20 LYS GLY 0.03 11058 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11058 _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 11058 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11058 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11058 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11058 _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_