data_AVS_bmrb_pdb_report_36078 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 36078 _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 24 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 36078 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 24 LEU C 174.774 . 176.99 1.98 2.6306e-01 36078 1 1 1 1 24 LEU CA 52.687 . 55.62 2.13 1.6851e-01 36078 1 1 1 1 24 LEU CB 45.694 . 42.31 1.88 7.1861e-02 36078 1 1 1 1 24 LEU CG 26.362 . 26.78 1.1 7.0395e-01 36078 1 1 1 1 24 LEU CD1 25.559 . 24.72 1.59 5.9773e-01 36078 1 1 1 1 24 LEU CD2 27.050 . 24.05 1.7 7.7613e-02 36078 1 1 1 1 24 LEU H 8.481 . 8.23 0.65 6.9938e-01 36078 1 1 1 1 24 LEU HA 6.257 A 4.32 0.47 3.7678e-05 36078 1 1 1 1 24 LEU HB2 1.363 . 1.61 0.34 4.6755e-01 36078 1 1 1 1 24 LEU HB3 1.801 . 1.52 0.36 4.3506e-01 36078 1 1 1 1 24 LEU HG 1.282 . 1.51 0.33 4.8962e-01 36078 1 1 1 1 24 LEU HD11 0.241 . 0.75 0.28 6.9086e-02 36078 1 1 1 1 24 LEU HD12 0.241 . 0.75 0.28 6.9086e-02 36078 1 1 1 1 24 LEU HD13 0.241 . 0.75 0.28 6.9086e-02 36078 1 1 1 1 24 LEU HD21 0.491 . 0.73 0.29 4.0986e-01 36078 1 1 1 1 24 LEU HD22 0.491 . 0.73 0.29 4.0986e-01 36078 1 1 1 1 24 LEU HD23 0.491 . 0.73 0.29 4.0986e-01 36078 1 1 1 1 24 LEU N 119.702 . 121.86 3.9 5.8004e-01 36078 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 24 LEU GLY 0.86 36078 1 1 1 1 24 LEU LEU 0.13 36078 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 36078 _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 36078 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 36078 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 36078 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 36078 _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_