data_AVS_bmrb_pdb_report_50718 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50718 _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 32 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 1 1 1 1 33 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 1 1 1 1 36 PHE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 1 1 1 1 37 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 1 1 1 1 39 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 1 1 1 1 40 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 1 1 1 1 41 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 1 1 1 1 43 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 1 1 1 1 44 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 1 1 1 1 46 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 1 1 1 1 47 ALA Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 1 1 1 1 48 ILE Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 1 1 1 1 50 VAL Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 1 1 1 1 51 MET Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 1 1 1 1 52 LEU Anomalous Indeterminable Consistent Indeterminable Indeterminable Anomalous . . 50718 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 152.606 A 121.86 3.9 3.1811e-15 50718 1 1 1 1 33 PHE N 167.794 A 120.45 4.18 9.7208e-30 50718 1 1 1 1 36 PHE N 165.209 A 120.45 4.18 9.3463e-27 50718 1 1 1 1 37 ALA N 176.351 A 123.23 3.54 6.7141e-51 50718 1 1 1 1 39 ILE N 140.896 A 121.46 4.28 5.5956e-06 50718 1 1 1 1 40 LEU N 181.564 A 121.86 3.9 6.6869e-53 50718 1 1 1 1 41 ILE N 155.431 A 121.46 4.28 2.0688e-15 50718 1 1 1 1 43 LEU N 160.384 A 121.86 3.9 5.1884e-23 50718 1 1 1 1 44 LEU N 186.374 A 121.86 3.9 1.8269e-61 50718 1 1 1 1 46 ILE N 139.381 A 121.46 4.28 2.8248e-05 50718 1 1 1 1 47 ALA N 181.564 A 123.23 3.54 5.2341e-61 50718 1 1 1 1 48 ILE N 170.468 A 121.46 4.28 2.3388e-30 50718 1 1 1 1 50 VAL N 157.016 A 121.14 4.54 2.7402e-15 50718 1 1 1 1 51 MET N 187.563 A 120.09 3.57 1.1405e-79 50718 1 1 1 1 52 LEU N 158.151 A 121.86 3.9 1.3351e-20 50718 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50718 _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 50718 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50718 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50718 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50718 _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_