data_AVS_bmrb_pdb_report_16109 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16109 _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 52 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16109 1 1 1 1 54 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16109 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 52 LYS C 182.257 A 176.46 2.05 4.6868e-03 16109 1 1 1 1 52 LYS CA 59.310 . 56.84 2.25 2.7230e-01 16109 1 1 1 1 52 LYS CB 33.380 . 32.83 1.88 7.6986e-01 16109 1 1 1 1 52 LYS CG 26.760 . 24.91 1.31 1.5789e-01 16109 1 1 1 1 52 LYS CD 30.190 . 28.78 1.39 3.1040e-01 16109 1 1 1 1 52 LYS CE 44.240 . 41.78 0.98 1.2066e-02 16109 1 1 1 1 52 LYS H 8.711 . 8.22 0.64 4.4297e-01 16109 1 1 1 1 52 LYS HA 4.542 . 4.28 0.45 5.6042e-01 16109 1 1 1 1 52 LYS HB2 1.952 . 1.79 0.25 5.1699e-01 16109 1 1 1 1 52 LYS HB3 1.421 . 1.78 0.26 1.6735e-01 16109 1 1 1 1 52 LYS HG2 1.306 . 1.38 0.27 7.8403e-01 16109 1 1 1 1 52 LYS HG3 1.306 . 1.37 0.29 8.2533e-01 16109 1 1 1 1 52 LYS HD2 1.628 . 1.61 0.25 9.4260e-01 16109 1 1 1 1 52 LYS HD3 1.598 . 1.61 0.25 9.6172e-01 16109 1 1 1 1 52 LYS HE2 2.951 . 2.93 0.2 9.1638e-01 16109 1 1 1 1 52 LYS HE3 2.951 . 2.93 0.2 9.1638e-01 16109 1 1 1 1 52 LYS N 119.050 . 121.16 4.11 6.0768e-01 16109 1 1 1 1 54 HIS C 180.735 A 175.19 2.14 9.5664e-03 16109 1 1 1 1 54 HIS CA 60.010 . 56.37 2.4 1.2935e-01 16109 1 1 1 1 54 HIS CB 31.620 . 29.95 2.15 4.3731e-01 16109 1 1 1 1 54 HIS CE1 140.323 . 136.05 3.58 2.3264e-01 16109 1 1 1 1 54 HIS H 8.310 . 8.25 0.74 9.3538e-01 16109 1 1 1 1 54 HIS HA 4.566 . 4.62 0.51 9.1568e-01 16109 1 1 1 1 54 HIS HB2 3.644 . 3.12 0.43 2.2299e-01 16109 1 1 1 1 54 HIS HB3 2.975 . 3.11 0.45 7.6418e-01 16109 1 1 1 1 54 HIS HE1 7.922 . 8.08 0.57 7.8163e-01 16109 1 1 1 1 54 HIS N 124.425 . 119.44 4.52 2.7008e-01 16109 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 52 LYS CYS 0.41 16109 1 1 1 1 52 LYS ARG 0.33 16109 1 1 1 1 52 LYS GLY 0.21 16109 1 1 1 1 52 LYS LYS 0.02 16109 1 1 1 1 52 LYS MET 0.01 16109 1 1 1 1 54 HIS CYS 0.48 16109 1 1 1 1 54 HIS TRP 0.35 16109 1 1 1 1 54 HIS HIS 0.15 16109 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16109 _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 16109 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16109 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16109 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16109 _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_