data_AVS_bmrb_pdb_report_16934 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16934 _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 90 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16934 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 90 LEU C 177.459 . 176.97 2.09 8.1501e-01 16934 1 1 1 1 90 LEU CA 53.298 . 55.65 2.21 2.8721e-01 16934 1 1 1 1 90 LEU CB 44.821 . 42.37 1.86 1.8759e-01 16934 1 1 1 1 90 LEU CG 26.921 . 26.77 1.25 9.0385e-01 16934 1 1 1 1 90 LEU CD1 25.975 . 24.73 1.71 4.6657e-01 16934 1 1 1 1 90 LEU CD2 22.678 . 24.1 1.78 4.2436e-01 16934 1 1 1 1 90 LEU H 7.636 . 8.22 0.65 3.6894e-01 16934 1 1 1 1 90 LEU HA 5.083 . 4.32 0.47 1.0450e-01 16934 1 1 1 1 90 LEU HB2 1.987 . 1.63 0.34 2.9372e-01 16934 1 1 1 1 90 LEU HB3 1.434 . 1.57 0.36 7.0560e-01 16934 1 1 1 1 90 LEU HG 1.551 . 1.54 0.33 9.7341e-01 16934 1 1 1 1 90 LEU HD11 0.920 . 0.77 0.27 5.7851e-01 16934 1 1 1 1 90 LEU HD12 0.920 . 0.77 0.27 5.7851e-01 16934 1 1 1 1 90 LEU HD13 0.920 . 0.77 0.27 5.7851e-01 16934 1 1 1 1 90 LEU HD21 1.005 . 0.76 0.28 3.8157e-01 16934 1 1 1 1 90 LEU HD22 1.005 . 0.76 0.28 3.8157e-01 16934 1 1 1 1 90 LEU HD23 1.005 . 0.76 0.28 3.8157e-01 16934 1 1 1 1 90 LEU N 109.155 A 121.98 4.07 1.6265e-03 16934 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.PRTL_comp_type _AVS_analysis.PRTL_probability_score _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 90 LEU GLY 0.5 16934 1 1 1 1 90 LEU LEU 0.37 16934 1 1 1 1 90 LEU ALA 0.08 16934 1 1 1 1 90 LEU ARG 0.02 16934 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16934 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 16934 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16934 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16934 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16934 _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_