data_AVS_bmrb_pdb_report_17038 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17038 _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 14 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE3 > HB3" 0.9974 17038 1 1 1 1 71 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17038 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 14 LYS C 174.2 . 176.46 2.05 2.7027e-01 17038 1 1 1 1 14 LYS CA 56.5 . 56.84 2.25 8.7989e-01 17038 1 1 1 1 14 LYS CB 35.5 . 32.83 1.88 1.5555e-01 17038 1 1 1 1 14 LYS CG 24.3 . 24.91 1.31 6.4147e-01 17038 1 1 1 1 14 LYS CD 29.4 . 28.78 1.39 6.5557e-01 17038 1 1 1 1 14 LYS CE 40.4 . 41.78 0.98 1.5908e-01 17038 1 1 1 1 14 LYS H 7.99 . 8.22 0.64 7.1931e-01 17038 1 1 1 1 14 LYS HA 4.78 . 4.28 0.45 2.6652e-01 17038 1 1 1 1 14 LYS HB2 1.41 . 1.79 0.25 1.2851e-01 17038 1 1 1 1 14 LYS HB3 1.76 . 1.78 0.26 9.3868e-01 17038 1 1 1 1 14 LYS HG2 0.84 . 1.38 0.27 4.5500e-02 17038 1 1 1 1 14 LYS HG3 1.05 . 1.37 0.29 2.6983e-01 17038 1 1 1 1 14 LYS HD2 0.75 S 1.61 0.25 5.8171e-04 17038 1 1 1 1 14 LYS HD3 1.07 . 1.61 0.25 3.0773e-02 17038 1 1 1 1 14 LYS HE2 2.20 S 2.93 0.2 2.6224e-04 17038 1 1 1 1 14 LYS HE3 1.48 A 2.93 0.2 4.1677e-13 17038 1 1 1 1 14 LYS N 120.9 . 121.16 4.11 9.4956e-01 17038 1 1 1 1 71 LEU C 174.3 . 176.97 2.09 2.0142e-01 17038 1 1 1 1 71 LEU CA 53.8 . 55.65 2.21 4.0253e-01 17038 1 1 1 1 71 LEU CB 46.0 . 42.37 1.86 5.0984e-02 17038 1 1 1 1 71 LEU CG 27.5 . 26.77 1.25 5.5922e-01 17038 1 1 1 1 71 LEU CD1 22.2 . 24.73 1.71 1.3900e-01 17038 1 1 1 1 71 LEU CD2 26.8 . 24.1 1.78 1.2930e-01 17038 1 1 1 1 71 LEU H 9.45 . 8.22 0.65 5.8450e-02 17038 1 1 1 1 71 LEU HA 4.78 . 4.32 0.47 3.2772e-01 17038 1 1 1 1 71 LEU HB2 1.24 . 1.63 0.34 2.5136e-01 17038 1 1 1 1 71 LEU HB3 1.80 . 1.57 0.36 5.2290e-01 17038 1 1 1 1 71 LEU HG 1.23 . 1.54 0.33 3.4753e-01 17038 1 1 1 1 71 LEU HD11 0.05 . 0.77 0.27 7.6608e-03 17038 1 1 1 1 71 LEU HD12 0.05 . 0.77 0.27 7.6608e-03 17038 1 1 1 1 71 LEU HD13 0.05 . 0.77 0.27 7.6608e-03 17038 1 1 1 1 71 LEU HD21 0.46 . 0.76 0.28 2.8398e-01 17038 1 1 1 1 71 LEU HD22 0.46 . 0.76 0.28 2.8398e-01 17038 1 1 1 1 71 LEU HD23 0.46 . 0.76 0.28 2.8398e-01 17038 1 1 1 1 71 LEU N 105.7 A 121.98 4.07 6.3342e-05 17038 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 14 LYS LYS 0.82 17038 1 1 1 1 14 LYS MET 0.09 17038 1 1 1 1 14 LYS ARG 0.07 17038 1 1 1 1 71 LEU GLY 0.67 17038 1 1 1 1 71 LEU ALA 0.2 17038 1 1 1 1 71 LEU LEU 0.1 17038 1 1 1 1 71 LEU ARG 0.01 17038 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17038 _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 17038 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17038 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17038 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17038 _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_