data_AVS_bmrb_pdb_report_17632 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17632 _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 81 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17632 1 1 1 2 5 PTR UNSUPPORTED . . . . . . . 17632 1 1 1 2 9 PTR UNSUPPORTED . . . . . . . 17632 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 81 LEU CA 58.626 . 55.65 2.21 1.7811e-01 17632 1 1 1 1 81 LEU CB 41.969 . 42.37 1.86 8.2931e-01 17632 1 1 1 1 81 LEU CG 28.444 . 26.77 1.25 1.8051e-01 17632 1 1 1 1 81 LEU CD1 27.554 . 24.73 1.71 9.8644e-02 17632 1 1 1 1 81 LEU CD2 24.386 . 24.1 1.78 8.7235e-01 17632 1 1 1 1 81 LEU H 6.748 . 8.22 0.65 2.3536e-02 17632 1 1 1 1 81 LEU HA 2.026 A 4.32 0.47 1.0563e-06 17632 1 1 1 1 81 LEU HB2 1.549 . 1.63 0.34 8.1170e-01 17632 1 1 1 1 81 LEU HB3 1.107 . 1.57 0.36 1.9840e-01 17632 1 1 1 1 81 LEU HG 0.891 . 1.54 0.33 4.9222e-02 17632 1 1 1 1 81 LEU HD11 1.352 . 0.77 0.27 3.1118e-02 17632 1 1 1 1 81 LEU HD12 1.352 . 0.77 0.27 3.1118e-02 17632 1 1 1 1 81 LEU HD13 1.352 . 0.77 0.27 3.1118e-02 17632 1 1 1 1 81 LEU HD21 0.537 . 0.76 0.28 4.2578e-01 17632 1 1 1 1 81 LEU HD22 0.537 . 0.76 0.28 4.2578e-01 17632 1 1 1 1 81 LEU HD23 0.537 . 0.76 0.28 4.2578e-01 17632 1 1 1 1 81 LEU N 121.757 . 121.98 4.07 9.5631e-01 17632 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 81 LEU CYS 0.38 17632 1 1 1 1 81 LEU ARG 0.31 17632 1 1 1 1 81 LEU LEU 0.15 17632 1 1 1 1 81 LEU LYS 0.12 17632 1 1 1 1 81 LEU GLY 0.01 17632 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17632 _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 17632 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17632 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17632 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17632 _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_