data_AVS_bmrb_pdb_report_50779 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50779 _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 8 SER Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50779 1 1 1 1 15 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50779 1 1 1 1 18 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50779 1 1 1 1 21 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50779 1 1 1 1 25 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50779 1 1 1 1 28 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50779 1 1 1 1 29 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50779 1 1 1 1 32 TYR Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50779 1 1 1 1 33 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50779 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 8 SER N 95.2 A 116.28 3.52 2.1161e-09 50779 1 1 1 1 15 VAL N 143.5 A 121.14 4.54 8.4313e-07 50779 1 1 1 1 18 LEU N 177.5 A 121.86 3.9 3.5306e-46 50779 1 1 1 1 21 ILE N 180.4 A 121.46 4.28 3.8076e-43 50779 1 1 1 1 25 VAL N 181.6 A 121.14 4.54 1.8392e-40 50779 1 1 1 1 28 ILE N 172.6 A 121.46 4.28 6.6030e-33 50779 1 1 1 1 29 ILE N 175.8 A 121.46 4.28 6.2022e-37 50779 1 1 1 1 32 TYR N 184.0 A 120.52 4.2 1.3038e-51 50779 1 1 1 1 33 VAL N 155.1 A 121.14 4.54 7.4223e-14 50779 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50779 _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 50779 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50779 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50779 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50779 _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_