data_AVS_bmrb_pdb_report_50464 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 50464 _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 2 LEU Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CB > CG" 0.9976 50464 1 1 1 1 2 LEU . . . . . . "CB > CD1" 0.9993 50464 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 2 LEU CB 26.885 S 42.31 1.88 2.3100e-16 50464 1 1 1 1 2 LEU CG 46.499 A 26.78 1.1 7.3428e-72 50464 1 1 1 1 2 LEU CD1 28.101 . 24.72 1.59 3.3469e-02 50464 1 1 1 1 2 LEU CD2 25.321 . 24.05 1.7 4.5467e-01 50464 1 1 1 1 2 LEU H 7.743 . 8.23 0.65 4.5372e-01 50464 1 1 1 1 2 LEU HA 5.082 . 4.32 0.47 1.0496e-01 50464 1 1 1 1 2 LEU HB2 1.925 . 1.61 0.34 3.5420e-01 50464 1 1 1 1 2 LEU HB3 1.696 . 1.52 0.36 6.2492e-01 50464 1 1 1 1 2 LEU HG 1.496 . 1.51 0.33 9.6616e-01 50464 1 1 1 1 2 LEU HD11 0.987 . 0.75 0.28 3.9731e-01 50464 1 1 1 1 2 LEU HD12 0.987 . 0.75 0.28 3.9731e-01 50464 1 1 1 1 2 LEU HD13 0.987 . 0.75 0.28 3.9731e-01 50464 1 1 1 1 2 LEU HD21 0.917 . 0.73 0.29 5.1904e-01 50464 1 1 1 1 2 LEU HD22 0.917 . 0.73 0.29 5.1904e-01 50464 1 1 1 1 2 LEU HD23 0.917 . 0.73 0.29 5.1904e-01 50464 1 1 1 1 2 LEU N 120.241 . 121.86 3.9 6.7805e-01 50464 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 2 LEU GLY 0.99 50464 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 50464 _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 50464 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 50464 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 50464 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 50464 _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_