data_AVS_bmrb_pdb_report_10267 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10267 _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 21 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10267 1 1 1 1 71 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10267 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 21 LYS C 174.133 . 176.46 2.05 2.5632e-01 10267 1 1 1 1 21 LYS CA 53.840 . 56.84 2.25 1.8242e-01 10267 1 1 1 1 21 LYS CB 36.553 . 32.83 1.88 4.7668e-02 10267 1 1 1 1 21 LYS CG 21.695 . 24.91 1.31 1.4120e-02 10267 1 1 1 1 21 LYS CD 28.082 . 28.78 1.39 6.1556e-01 10267 1 1 1 1 21 LYS CE 42.730 . 41.78 0.98 3.3235e-01 10267 1 1 1 1 21 LYS H 9.001 . 8.22 0.64 2.2235e-01 10267 1 1 1 1 21 LYS HA 4.887 . 4.28 0.45 1.7737e-01 10267 1 1 1 1 21 LYS HB2 1.492 . 1.79 0.25 2.3326e-01 10267 1 1 1 1 21 LYS HB3 1.204 . 1.78 0.26 2.6734e-02 10267 1 1 1 1 21 LYS HG2 0.883 . 1.38 0.27 6.5660e-02 10267 1 1 1 1 21 LYS HG3 0.800 . 1.37 0.29 4.9354e-02 10267 1 1 1 1 21 LYS HD2 0.644 S 1.61 0.25 1.1155e-04 10267 1 1 1 1 21 LYS HD3 -0.567 A 1.61 0.25 3.0928e-18 10267 1 1 1 1 21 LYS HE2 2.565 . 2.93 0.2 6.8001e-02 10267 1 1 1 1 21 LYS HE3 2.402 . 2.93 0.2 8.2906e-03 10267 1 1 1 1 21 LYS N 120.938 . 121.16 4.11 9.5692e-01 10267 1 1 1 1 71 ASP C 174.896 . 176.41 1.77 3.9235e-01 10267 1 1 1 1 71 ASP CA 58.334 . 54.52 2.1 6.9341e-02 10267 1 1 1 1 71 ASP CB 46.097 . 40.7 1.67 1.2304e-03 10267 1 1 1 1 71 ASP H 5.373 A 8.33 0.57 2.1289e-07 10267 1 1 1 1 71 ASP HA 4.413 . 4.61 0.31 5.2511e-01 10267 1 1 1 1 71 ASP HB2 2.286 . 2.74 0.29 1.1746e-01 10267 1 1 1 1 71 ASP HB3 2.188 . 2.7 0.29 7.7477e-02 10267 1 1 1 1 71 ASP N 119.008 . 120.73 4.2 6.8181e-01 10267 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 21 LYS CYS 0.56 10267 1 1 1 1 21 LYS ALA 0.31 10267 1 1 1 1 21 LYS GLY 0.07 10267 1 1 1 1 21 LYS LYS 0.02 10267 1 1 1 1 21 LYS MET 0.01 10267 1 1 1 1 21 LYS ARG 0.01 10267 1 1 1 1 71 ASP GLY 0.65 10267 1 1 1 1 71 ASP CYS 0.22 10267 1 1 1 1 71 ASP LEU 0.07 10267 1 1 1 1 71 ASP ARG 0.02 10267 1 1 1 1 71 ASP PHE 0.01 10267 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10267 _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 10267 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10267 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10267 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10267 _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_