data_AVS_bmrb_pdb_report_50719 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50719 _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 17 SEP UNSUPPORTED . . . . . . . 50719 1 1 1 1 32 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 33 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 36 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 37 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 39 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 40 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 41 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 43 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 44 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 45 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 46 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 47 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 48 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 49 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 50 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 51 MET Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 1 1 1 1 52 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50719 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 32 LEU N 155.195 A 121.86 3.9 1.2585e-17 50719 1 1 1 1 33 PHE N 177.912 A 120.45 4.18 5.3166e-43 50719 1 1 1 1 36 PHE N 166.225 A 120.45 4.18 6.5749e-28 50719 1 1 1 1 37 ALA N 184.327 A 123.23 3.54 9.5689e-67 50719 1 1 1 1 39 ILE N 146.495 A 121.46 4.28 4.9365e-09 50719 1 1 1 1 40 LEU N 185.659 A 121.86 3.9 3.7698e-60 50719 1 1 1 1 41 ILE N 163.506 A 121.46 4.28 8.8899e-23 50719 1 1 1 1 43 LEU N 166.225 A 121.86 3.9 5.5295e-30 50719 1 1 1 1 44 LEU N 191.046 A 121.86 3.9 2.0594e-70 50719 1 1 1 1 45 LEU N 145.564 A 121.86 3.9 1.2173e-09 50719 1 1 1 1 46 ILE N 144.477 A 121.46 4.28 7.5400e-08 50719 1 1 1 1 47 ALA N 185.659 A 123.23 3.54 1.3197e-69 50719 1 1 1 1 48 ILE N 175.909 A 121.46 4.28 4.4784e-37 50719 1 1 1 1 49 ILE N 139.221 A 121.46 4.28 3.3281e-05 50719 1 1 1 1 50 VAL N 160.138 A 121.14 4.54 8.7069e-18 50719 1 1 1 1 51 MET N 190.866 A 120.09 3.57 1.8043e-87 50719 1 1 1 1 52 LEU N 163.655 A 121.86 3.9 8.5012e-27 50719 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50719 _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 50719 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50719 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50719 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50719 _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_