data_AVS_bmrb_pdb_report_7061 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7061 _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 7061 1 1 1 1 14 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7061 1 1 1 1 30 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7061 1 1 1 1 41 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 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 7061 1 1 1 1 14 LYS CA 55.7100 . 56.84 2.25 6.1551e-01 7061 1 1 1 1 14 LYS CB 33.0400 . 32.83 1.88 9.1106e-01 7061 1 1 1 1 14 LYS CG 24.6100 . 24.91 1.31 8.1886e-01 7061 1 1 1 1 14 LYS CD 29.0300 . 28.78 1.39 8.5727e-01 7061 1 1 1 1 14 LYS CE 42.1000 . 41.78 0.98 7.4402e-01 7061 1 1 1 1 14 LYS H 8.8400 . 8.22 0.64 3.3267e-01 7061 1 1 1 1 14 LYS HA 4.6500 . 4.28 0.45 4.1095e-01 7061 1 1 1 1 14 LYS HB2 1.5900 . 1.79 0.25 4.2371e-01 7061 1 1 1 1 14 LYS HB3 1.8200 . 1.78 0.26 8.7773e-01 7061 1 1 1 1 14 LYS HG2 1.3500 . 1.38 0.27 9.1153e-01 7061 1 1 1 1 14 LYS HG3 1.5200 . 1.37 0.29 6.0499e-01 7061 1 1 1 1 14 LYS HD2 0.0300 M 1.61 0.25 2.6156e-10 7061 1 1 1 1 14 LYS HD3 0.9600 . 1.61 0.25 9.3224e-03 7061 1 1 1 1 14 LYS HE2 2.7700 . 2.93 0.2 4.2371e-01 7061 1 1 1 1 14 LYS HE3 2.7700 . 2.93 0.2 4.2371e-01 7061 1 1 1 1 14 LYS N 124.2300 . 121.16 4.11 4.5509e-01 7061 1 1 1 1 30 LYS CA 57.3700 . 56.84 2.25 8.1378e-01 7061 1 1 1 1 30 LYS CB 32.1200 . 32.83 1.88 7.0568e-01 7061 1 1 1 1 30 LYS CG 24.6400 . 24.91 1.31 8.3671e-01 7061 1 1 1 1 30 LYS CD 28.4900 . 28.78 1.39 8.3473e-01 7061 1 1 1 1 30 LYS CE 42.1800 . 41.78 0.98 6.8315e-01 7061 1 1 1 1 30 LYS H 7.8700 . 8.22 0.64 5.8446e-01 7061 1 1 1 1 30 LYS HA 4.2200 . 4.28 0.45 8.9393e-01 7061 1 1 1 1 30 LYS HB2 1.7000 . 1.79 0.25 7.1885e-01 7061 1 1 1 1 30 LYS HB3 1.7000 . 1.78 0.26 7.5832e-01 7061 1 1 1 1 30 LYS HG2 1.3600 . 1.38 0.27 9.4095e-01 7061 1 1 1 1 30 LYS HG3 1.5700 . 1.37 0.29 4.9041e-01 7061 1 1 1 1 30 LYS HD2 0.0300 M 1.61 0.25 2.6156e-10 7061 1 1 1 1 30 LYS HD3 0.9600 . 1.61 0.25 9.3224e-03 7061 1 1 1 1 30 LYS HE2 2.9700 . 2.93 0.2 8.4148e-01 7061 1 1 1 1 30 LYS HE3 2.9700 . 2.93 0.2 8.4148e-01 7061 1 1 1 1 30 LYS N 112.1900 . 121.16 4.11 2.9074e-02 7061 1 1 1 1 41 LYS CA 57.0100 . 56.84 2.25 9.3977e-01 7061 1 1 1 1 41 LYS CB 28.3900 . 32.83 1.88 1.8191e-02 7061 1 1 1 1 41 LYS CG 25.3700 . 24.91 1.31 7.2548e-01 7061 1 1 1 1 41 LYS CD 28.4900 . 28.78 1.39 8.3473e-01 7061 1 1 1 1 41 LYS CE 42.3700 . 41.78 0.98 5.4715e-01 7061 1 1 1 1 41 LYS H 7.9500 . 8.22 0.64 6.7312e-01 7061 1 1 1 1 41 LYS HA 3.8100 . 4.28 0.45 2.9628e-01 7061 1 1 1 1 41 LYS HB2 1.1700 . 1.79 0.25 1.3138e-02 7061 1 1 1 1 41 LYS HB3 1.3500 . 1.78 0.26 9.8159e-02 7061 1 1 1 1 41 LYS HG2 0.9900 . 1.38 0.27 1.4861e-01 7061 1 1 1 1 41 LYS HG3 0.9900 . 1.37 0.29 1.9008e-01 7061 1 1 1 1 41 LYS HD2 0.0300 M 1.61 0.25 2.6156e-10 7061 1 1 1 1 41 LYS HD3 0.9600 . 1.61 0.25 9.3224e-03 7061 1 1 1 1 41 LYS HE2 2.6500 . 2.93 0.2 1.6151e-01 7061 1 1 1 1 41 LYS HE3 2.6500 . 2.93 0.2 1.6151e-01 7061 1 1 1 1 41 LYS N 115.2800 . 121.16 4.11 1.5253e-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 7061 1 1 1 1 14 LYS LYS 0.41 7061 1 1 1 1 14 LYS CYS 0.36 7061 1 1 1 1 14 LYS ARG 0.17 7061 1 1 1 1 14 LYS MET 0.03 7061 1 1 1 1 30 LYS LYS 0.35 7061 1 1 1 1 30 LYS CYS 0.34 7061 1 1 1 1 30 LYS ARG 0.26 7061 1 1 1 1 30 LYS MET 0.02 7061 1 1 1 1 41 LYS CYS 0.36 7061 1 1 1 1 41 LYS ARG 0.35 7061 1 1 1 1 41 LYS LYS 0.15 7061 1 1 1 1 41 LYS LEU 0.1 7061 1 1 1 1 41 LYS GLY 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7061 _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 7061 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 7061 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7061 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7061 _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_