data_AVS_bmrb_pdb_report_16391 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16391 _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 9 TRP Anomalous Suspicious Consistent Indeterminable Anomalous Indeterminable . . 16391 1 1 1 1 36 ASP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16391 1 1 1 1 60 TRP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16391 1 1 1 1 61 PHE Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16391 1 1 1 1 96 ASP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16391 1 1 1 1 109 ASP Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16391 1 1 1 1 119 HIS Anomalous Consistent Consistent Indeterminable Anomalous Consistent . . 16391 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 9 TRP CA 58.798 . 57.71 2.65 6.8139e-01 16391 1 1 1 1 9 TRP CG 116.526 A 110.37 1.55 7.1388e-05 16391 1 1 1 1 36 ASP C 175.185 . 176.41 1.77 4.8888e-01 16391 1 1 1 1 36 ASP CA 61.193 A 54.52 2.1 1.4849e-03 16391 1 1 1 1 36 ASP CB 37.436 . 40.7 1.67 5.0643e-02 16391 1 1 1 1 36 ASP N 112.948 . 120.73 4.2 6.3903e-02 16391 1 1 1 1 60 TRP C 173.288 . 176.1 1.89 1.3680e-01 16391 1 1 1 1 60 TRP CA 55.563 . 57.71 2.65 4.1783e-01 16391 1 1 1 1 60 TRP CB 29.661 . 30.16 2.19 8.1976e-01 16391 1 1 1 1 60 TRP CG 116.400 A 110.37 1.55 1.0011e-04 16391 1 1 1 1 60 TRP CE2 139.466 A 137.38 2.86 4.6578e-01 16391 1 1 1 1 60 TRP N 125.026 . 121.87 4.58 4.9077e-01 16391 1 1 1 1 61 PHE CA 58.269 . 58.25 2.73 9.9445e-01 16391 1 1 1 1 61 PHE CG 141.516 A 138.35 1.12 4.7018e-03 16391 1 1 1 1 61 PHE CD1 131.868 . 131.38 1.38 7.2362e-01 16391 1 1 1 1 61 PHE CD2 131.868 . 131.33 1.48 7.1622e-01 16391 1 1 1 1 61 PHE N 117.656 . 120.69 4.18 4.6794e-01 16391 1 1 1 1 96 ASP C 174.989 . 176.41 1.77 4.2208e-01 16391 1 1 1 1 96 ASP CA 52.821 . 54.52 2.1 4.1849e-01 16391 1 1 1 1 96 ASP CB 40.253 . 40.7 1.67 7.8896e-01 16391 1 1 1 1 96 ASP CG 181.571 A 178.41 1.84 8.5809e-02 16391 1 1 1 1 96 ASP N 124.667 . 120.73 4.2 3.4856e-01 16391 1 1 1 1 109 ASP C 176.494 . 176.41 1.77 9.6215e-01 16391 1 1 1 1 109 ASP CA 51.900 . 54.52 2.1 2.1217e-01 16391 1 1 1 1 109 ASP CB 41.800 . 40.7 1.67 5.1010e-01 16391 1 1 1 1 109 ASP CG 182.560 A 178.41 1.84 2.4106e-02 16391 1 1 1 1 109 ASP N 127.546 . 120.73 4.2 1.0462e-01 16391 1 1 1 1 119 HIS C 175.682 . 175.19 2.14 8.1816e-01 16391 1 1 1 1 119 HIS CA 58.140 . 56.37 2.4 4.6082e-01 16391 1 1 1 1 119 HIS CB 30.263 . 29.95 2.15 8.8425e-01 16391 1 1 1 1 119 HIS CG 136.888 A 130.59 3.41 6.4759e-02 16391 1 1 1 1 119 HIS N 115.014 . 119.44 4.52 3.2748e-01 16391 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 9 TRP TYR 0.69 16391 1 1 1 1 9 TRP HIS 0.3 16391 1 1 1 1 36 ASP ILE 0.5 16391 1 1 1 1 36 ASP TYR 0.21 16391 1 1 1 1 36 ASP PHE 0.15 16391 1 1 1 1 36 ASP GLU 0.08 16391 1 1 1 1 36 ASP VAL 0.02 16391 1 1 1 1 60 TRP HIS 0.99 16391 1 1 1 1 61 PHE PHE 0.96 16391 1 1 1 1 61 PHE HIS 0.02 16391 1 1 1 1 96 ASP ASP 0.97 16391 1 1 1 1 96 ASP GLU 0.02 16391 1 1 1 1 109 ASP ASP 0.84 16391 1 1 1 1 109 ASP GLY 0.15 16391 1 1 1 1 119 HIS TRP 0.79 16391 1 1 1 1 119 HIS HIS 0.2 16391 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16391 _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 16391 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16391 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16391 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16391 _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_