data_AVS_bmrb_pdb_report_18571 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18571 _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 28 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18571 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 28 LEU C 179.200 . 176.99 1.98 2.6435e-01 18571 1 1 1 1 28 LEU CA 57.940 . 55.62 2.13 2.7606e-01 18571 1 1 1 1 28 LEU CB 42.090 . 42.31 1.88 9.0684e-01 18571 1 1 1 1 28 LEU CG 26.360 . 26.78 1.1 7.0260e-01 18571 1 1 1 1 28 LEU CD1 26.400 . 24.72 1.59 2.9069e-01 18571 1 1 1 1 28 LEU CD2 23.550 . 24.05 1.7 7.6867e-01 18571 1 1 1 1 28 LEU H 8.183 . 8.23 0.65 9.4236e-01 18571 1 1 1 1 28 LEU HA 4.002 . 4.32 0.47 4.9866e-01 18571 1 1 1 1 28 LEU HB2 2.064 . 1.61 0.34 1.8178e-01 18571 1 1 1 1 28 LEU HB3 1.344 . 1.52 0.36 6.2492e-01 18571 1 1 1 1 28 LEU HG 1.985 . 1.51 0.33 1.5004e-01 18571 1 1 1 1 28 LEU HD11 0.830 . 0.75 0.28 7.7510e-01 18571 1 1 1 1 28 LEU HD12 0.830 . 0.75 0.28 7.7510e-01 18571 1 1 1 1 28 LEU HD13 0.830 . 0.75 0.28 7.7510e-01 18571 1 1 1 1 28 LEU HD21 0.870 . 0.73 0.29 6.2927e-01 18571 1 1 1 1 28 LEU HD22 0.870 . 0.73 0.29 6.2927e-01 18571 1 1 1 1 28 LEU HD23 0.870 . 0.73 0.29 6.2927e-01 18571 1 1 1 1 28 LEU N 177.623 A 121.86 3.9 2.2453e-46 18571 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 28 LEU LEU 0.51 18571 1 1 1 1 28 LEU CYS 0.4 18571 1 1 1 1 28 LEU ARG 0.06 18571 1 1 1 1 28 LEU GLY 0.01 18571 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18571 _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 18571 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18571 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18571 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18571 _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_