data_AVS_bmrb_pdb_report_50722 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50722 _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 . . . . . . . 50722 1 1 1 1 32 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 33 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 36 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 37 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 38 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 39 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 40 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 41 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 42 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 43 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 44 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 45 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 46 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 47 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 48 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 49 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 1 1 1 1 51 MET Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50722 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 164.286 A 121.86 3.9 1.4601e-27 50722 1 1 1 1 33 PHE N 187.621 A 120.45 4.18 4.1665e-58 50722 1 1 1 1 36 PHE N 179.137 A 120.45 4.18 8.8773e-45 50722 1 1 1 1 37 ALA N 190.978 A 123.23 3.54 1.2220e-81 50722 1 1 1 1 38 LEU N 146.139 A 121.86 3.9 4.8038e-10 50722 1 1 1 1 39 ILE N 160.492 A 121.46 4.28 7.5384e-20 50722 1 1 1 1 40 LEU N 194.418 A 121.86 3.9 2.9480e-77 50722 1 1 1 1 41 ILE N 171.454 A 121.46 4.28 1.5971e-31 50722 1 1 1 1 42 PHE N 149.993 A 120.45 4.18 1.5752e-12 50722 1 1 1 1 43 LEU N 179.137 A 121.86 3.9 7.8778e-49 50722 1 1 1 1 44 LEU N 198.238 A 121.86 3.9 2.1130e-85 50722 1 1 1 1 45 LEU N 155.494 A 121.86 3.9 6.4597e-18 50722 1 1 1 1 46 ILE N 160.337 A 121.46 4.28 1.0522e-19 50722 1 1 1 1 47 ALA N 191.414 A 123.23 3.54 1.1412e-82 50722 1 1 1 1 48 ILE N 181.841 A 121.46 4.28 3.4045e-45 50722 1 1 1 1 49 ILE N 154.287 A 121.46 4.28 1.7218e-14 50722 1 1 1 1 51 MET N 198.238 A 120.09 3.57 0.0000e+00 50722 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50722 _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 50722 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50722 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50722 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50722 _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_