data_AVS_bmrb_pdb_report_15380 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15380 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15380 1 1 1 1 1 MET Anomalous Consistent Consistent Indeterminable Duplicate Anomalous . . 15380 1 1 1 1 13 LYS Anomalous Consistent Consistent Indeterminable Duplicate Anomalous . . 15380 1 1 1 1 28 LYS Anomalous Consistent Consistent Indeterminable Duplicate Anomalous . . 15380 1 1 1 1 31 LYS Anomalous Consistent Consistent Indeterminable Duplicate Anomalous . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15380 1 1 1 1 1 MET C 171.38 D 176.3 2.13 2.0896e-02 15380 1 1 1 1 1 MET CA 54.27 D 56.16 2.34 4.1927e-01 15380 1 1 1 1 1 MET CB 32.45 D 32.9 2.23 8.4008e-01 15380 1 1 1 1 1 MET CG 30.17 D 32.07 1.45 1.9008e-01 15380 1 1 1 1 1 MET CE 15.86 D 17.21 3.42 6.9304e-01 15380 1 1 1 1 1 MET N 40.04 M 120.1 3.88 0.0000e+00 15380 1 1 1 1 13 LYS C 175.72 D 176.46 2.05 7.1812e-01 15380 1 1 1 1 13 LYS CA 53.35 D 56.84 2.25 1.2087e-01 15380 1 1 1 1 13 LYS CB 38.92 D 32.83 1.88 1.1980e-03 15380 1 1 1 1 13 LYS CG 26.08 D 24.91 1.31 3.7179e-01 15380 1 1 1 1 13 LYS CD 29.76 D 28.78 1.39 4.8079e-01 15380 1 1 1 1 13 LYS CE 43.02 D 41.78 0.98 2.0576e-01 15380 1 1 1 1 13 LYS N 123.30 D 121.16 4.11 6.0259e-01 15380 1 1 1 1 13 LYS NZ 31.52 M 71.86 52.41 4.4148e-01 15380 1 1 1 1 28 LYS C 179.09 D 176.46 2.05 1.9952e-01 15380 1 1 1 1 28 LYS CA 60.19 D 56.84 2.25 1.3652e-01 15380 1 1 1 1 28 LYS CB 32.77 D 32.83 1.88 9.7454e-01 15380 1 1 1 1 28 LYS CG 26.37 D 24.91 1.31 2.6506e-01 15380 1 1 1 1 28 LYS CD 30.08 D 28.78 1.39 3.4966e-01 15380 1 1 1 1 28 LYS CE 42.31 D 41.78 0.98 5.8863e-01 15380 1 1 1 1 28 LYS N 117.38 D 121.16 4.11 3.5773e-01 15380 1 1 1 1 28 LYS NZ 32.92 M 71.86 52.41 4.5749e-01 15380 1 1 1 1 31 LYS C 179.59 D 176.46 2.05 1.2680e-01 15380 1 1 1 1 31 LYS CA 60.11 D 56.84 2.25 1.4613e-01 15380 1 1 1 1 31 LYS CB 31.60 D 32.83 1.88 5.1295e-01 15380 1 1 1 1 31 LYS CG 27.31 D 24.91 1.31 6.6943e-02 15380 1 1 1 1 31 LYS CD 29.40 D 28.78 1.39 6.5557e-01 15380 1 1 1 1 31 LYS CE 41.18 D 41.78 0.98 5.4038e-01 15380 1 1 1 1 31 LYS N 120.59 D 121.16 4.11 8.8970e-01 15380 1 1 1 1 31 LYS NZ 32.21 M 71.86 52.41 4.4933e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15380 1 1 1 1 1 MET MET 0.73 15380 1 1 1 1 1 MET ALA 0.26 15380 1 1 1 1 13 LYS GLY 0.91 15380 1 1 1 1 13 LYS LYS 0.06 15380 1 1 1 1 13 LYS MET 0.01 15380 1 1 1 1 28 LYS LYS 0.9 15380 1 1 1 1 28 LYS GLY 0.06 15380 1 1 1 1 28 LYS MET 0.03 15380 1 1 1 1 31 LYS LYS 0.96 15380 1 1 1 1 31 LYS MET 0.02 15380 1 1 1 1 31 LYS GLY 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15380 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 15380 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 15380 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15380 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15380 _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_