data_AVS_bmrb_pdb_report_18333 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18333 _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 84 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18333 1 1 1 1 207 PTR UNSUPPORTED . . . . . . . 18333 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 84 LEU CA 58.2615 . 55.62 2.13 2.1492e-01 18333 1 1 1 1 84 LEU CB 42.5445 . 42.31 1.88 9.0073e-01 18333 1 1 1 1 84 LEU CG 27.5173 . 26.78 1.1 5.0268e-01 18333 1 1 1 1 84 LEU CD1 23.5062 . 24.72 1.59 4.4523e-01 18333 1 1 1 1 84 LEU CD2 28.9148 . 24.05 1.7 4.2145e-03 18333 1 1 1 1 84 LEU H 6.8934 . 8.23 0.65 3.9753e-02 18333 1 1 1 1 84 LEU HA 1.9171 A 4.32 0.47 3.1783e-07 18333 1 1 1 1 84 LEU HB2 0.6454 . 1.61 0.34 4.5531e-03 18333 1 1 1 1 84 LEU HB3 0.8536 . 1.52 0.36 6.4154e-02 18333 1 1 1 1 84 LEU HG 1.1789 . 1.51 0.33 3.1570e-01 18333 1 1 1 1 84 LEU HD11 0.4426 . 0.75 0.28 2.7227e-01 18333 1 1 1 1 84 LEU HD12 0.4426 . 0.75 0.28 2.7227e-01 18333 1 1 1 1 84 LEU HD13 0.4426 . 0.75 0.28 2.7227e-01 18333 1 1 1 1 84 LEU HD21 0.6420 . 0.73 0.29 7.6155e-01 18333 1 1 1 1 84 LEU HD22 0.6420 . 0.73 0.29 7.6155e-01 18333 1 1 1 1 84 LEU HD23 0.6420 . 0.73 0.29 7.6155e-01 18333 1 1 1 1 84 LEU N 123.0697 . 121.86 3.9 7.5642e-01 18333 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 84 LEU CYS 0.46 18333 1 1 1 1 84 LEU ARG 0.41 18333 1 1 1 1 84 LEU LYS 0.06 18333 1 1 1 1 84 LEU LEU 0.03 18333 1 1 1 1 84 LEU GLY 0.02 18333 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18333 _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 18333 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18333 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18333 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18333 _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_