data_AVS_bmrb_pdb_report_25917 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25917 _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 27 LYS Anomalous Consistent Consistent Unknown Anomalous Consistent . . 25917 1 1 1 1 29 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 25917 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 27 LYS C 54.469 A 176.64 2 0.0000e+00 25917 1 1 1 1 27 LYS CB 30.360 . 32.79 1.78 1.7220e-01 25917 1 1 1 1 27 LYS CG 22.775 . 24.89 1.13 6.1251e-02 25917 1 1 1 1 27 LYS CE 39.234 . 41.89 0.82 1.1994e-03 25917 1 1 1 1 27 LYS H 8.461 . 8.19 0.6 6.5151e-01 25917 1 1 1 1 27 LYS HA 4.303 . 4.27 0.44 9.4021e-01 25917 1 1 1 1 27 LYS HB2 1.629 . 1.78 0.25 5.4584e-01 25917 1 1 1 1 27 LYS HB3 1.768 . 1.74 0.27 9.1740e-01 25917 1 1 1 1 27 LYS HG2 1.161 . 1.37 0.26 4.2149e-01 25917 1 1 1 1 27 LYS HG3 1.161 . 1.35 0.28 4.9968e-01 25917 1 1 1 1 27 LYS HE2 2.825 . 2.92 0.19 6.1707e-01 25917 1 1 1 1 27 LYS HE3 2.825 . 2.91 0.2 6.7084e-01 25917 1 1 1 1 27 LYS HZ1 7.448 U . 0 . 25917 1 1 1 1 27 LYS HZ2 7.448 U . 0 . 25917 1 1 1 1 27 LYS HZ3 7.448 U . 0 . 25917 1 1 1 1 27 LYS N 119.792 . 121.05 3.77 7.3862e-01 25917 1 1 1 1 29 LEU CA 52.134 . 55.62 2.13 1.0171e-01 25917 1 1 1 1 29 LEU CB 26.262 A 42.31 1.88 1.3874e-17 25917 1 1 1 1 29 LEU CD1 22.047 . 24.72 1.59 9.2737e-02 25917 1 1 1 1 29 LEU CD2 22.047 . 24.05 1.7 2.3870e-01 25917 1 1 1 1 29 LEU H 8.290 . 8.23 0.65 9.2645e-01 25917 1 1 1 1 29 LEU HA 4.320 . 4.32 0.47 1.0000e+00 25917 1 1 1 1 29 LEU HB2 1.721 . 1.61 0.34 7.4407e-01 25917 1 1 1 1 29 LEU HB3 1.650 . 1.52 0.36 7.1802e-01 25917 1 1 1 1 29 LEU HG 1.365 . 1.51 0.33 6.6038e-01 25917 1 1 1 1 29 LEU HD11 0.886 . 0.75 0.28 6.2717e-01 25917 1 1 1 1 29 LEU HD12 0.886 . 0.75 0.28 6.2717e-01 25917 1 1 1 1 29 LEU HD13 0.886 . 0.75 0.28 6.2717e-01 25917 1 1 1 1 29 LEU HD21 0.812 . 0.73 0.29 7.7736e-01 25917 1 1 1 1 29 LEU HD22 0.812 . 0.73 0.29 7.7736e-01 25917 1 1 1 1 29 LEU HD23 0.812 . 0.73 0.29 7.7736e-01 25917 1 1 1 1 29 LEU N 118.006 . 121.86 3.9 3.2305e-01 25917 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 27 LYS LEU 0.71 25917 1 1 1 1 27 LYS LYS 0.27 25917 1 1 1 1 27 LYS MET 0.01 25917 1 1 1 1 29 LEU CYS 0.99 25917 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25917 _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 25917 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25917 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25917 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25917 _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_