data_AVS_bmrb_pdb_report_291 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 291 _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 29 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 291 1 1 1 1 67 THR Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 291 1 1 1 1 89 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 291 1 1 1 1 92 SER Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 291 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 29 LEU HD11 3.81 A 0.75 0.28 8.4163e-28 291 1 1 1 1 29 LEU HD12 3.81 A 0.75 0.28 8.4163e-28 291 1 1 1 1 29 LEU HD13 3.81 A 0.75 0.28 8.4163e-28 291 1 1 1 1 29 LEU HD21 5.53 A 0.73 0.29 1.5558e-61 291 1 1 1 1 29 LEU HD22 5.53 A 0.73 0.29 1.5558e-61 291 1 1 1 1 29 LEU HD23 5.53 A 0.73 0.29 1.5558e-61 291 1 1 1 1 67 THR HA 2.5 S 4.46 0.48 4.4394e-05 291 1 1 1 1 67 THR HB 2.68 S 4.17 0.33 6.3272e-06 291 1 1 1 1 67 THR HG21 -1.51 A 1.14 0.23 1.0252e-30 291 1 1 1 1 67 THR HG22 -1.51 A 1.14 0.23 1.0252e-30 291 1 1 1 1 67 THR HG23 -1.51 A 1.14 0.23 1.0252e-30 291 1 1 1 1 89 LEU HD21 8.71 A 0.73 0.29 0.0000e+00 291 1 1 1 1 89 LEU HD22 8.71 A 0.73 0.29 0.0000e+00 291 1 1 1 1 89 LEU HD23 8.71 A 0.73 0.29 0.0000e+00 291 1 1 1 1 92 SER HG 9.71 A 5.36 1.03 2.4075e-05 291 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 291 _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 291 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 291 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 291 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 291 _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_