data_AVS_bmrb_pdb_report_50721 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50721 _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 33 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50721 1 1 1 1 36 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50721 1 1 1 1 37 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50721 1 1 1 1 38 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50721 1 1 1 1 39 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50721 1 1 1 1 40 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50721 1 1 1 1 41 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50721 1 1 1 1 48 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50721 1 1 1 1 49 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50721 1 1 1 1 51 MET Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50721 1 1 1 3 1 CA UNSUPPORTED . . . . . . . 50721 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 181.764 A 120.45 4.18 1.0271e-48 50721 1 1 1 1 36 PHE N 176.173 A 120.45 4.18 1.5312e-40 50721 1 1 1 1 37 ALA N 190.01 A 123.23 3.54 2.2377e-79 50721 1 1 1 1 38 LEU N 145.636 A 121.86 3.9 1.0848e-09 50721 1 1 1 1 39 ILE N 156.669 A 121.46 4.28 1.9292e-16 50721 1 1 1 1 40 LEU N 194.505 A 121.86 3.9 1.9438e-77 50721 1 1 1 1 41 ILE N 166.594 A 121.46 4.28 5.3387e-26 50721 1 1 1 1 48 ILE N 179.483 A 121.46 4.28 7.2242e-42 50721 1 1 1 1 49 ILE N 150.949 A 121.46 4.28 5.5811e-12 50721 1 1 1 1 51 MET N 202.893 A 120.09 3.57 0.0000e+00 50721 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50721 _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 50721 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50721 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50721 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50721 _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_