data_AVS_bmrb_pdb_report_50723 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50723 _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 . . . . . . . 50723 1 1 1 1 33 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50723 1 1 1 1 37 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50723 1 1 1 1 38 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50723 1 1 1 1 40 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50723 1 1 1 1 41 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50723 1 1 1 1 42 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50723 1 1 1 1 43 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50723 1 1 1 1 45 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50723 1 1 1 1 46 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50723 1 1 1 1 48 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50723 1 1 1 1 49 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50723 1 1 1 1 51 MET Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50723 1 1 1 3 1 CA UNSUPPORTED . . . . . . . 50723 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 33 PHE N 187.573 A 120.45 4.18 5.0141e-58 50723 1 1 1 1 37 ALA N 192.695 A 123.23 3.54 9.8603e-86 50723 1 1 1 1 38 LEU N 144.669 A 121.86 3.9 4.9614e-09 50723 1 1 1 1 40 LEU N 199.806 A 121.86 3.9 7.2687e-89 50723 1 1 1 1 41 ILE N 169.227 A 121.46 4.28 6.3623e-29 50723 1 1 1 1 42 PHE N 147.7 A 120.45 4.18 7.0712e-11 50723 1 1 1 1 43 LEU N 180.728 A 121.86 3.9 1.7639e-51 50723 1 1 1 1 45 LEU N 155.088 A 121.86 3.9 1.5955e-17 50723 1 1 1 1 46 ILE N 162.057 A 121.46 4.28 2.4173e-21 50723 1 1 1 1 48 ILE N 182.11 A 121.46 4.28 1.3938e-45 50723 1 1 1 1 49 ILE N 151.017 A 121.46 4.28 4.9907e-12 50723 1 1 1 1 51 MET N 199.891 A 120.09 3.57 0.0000e+00 50723 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50723 _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 50723 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50723 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50723 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50723 _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_