data_AVS_bmrb_pdb_report_30522 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30522 _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 8 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 30522 1 1 1 1 15 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 30522 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 8 LYS CA 57.169 . 56.95 2.2 9.2071e-01 30522 1 1 1 1 8 LYS CB 32.082 . 32.79 1.78 6.9081e-01 30522 1 1 1 1 8 LYS CG 24.876 . 24.89 1.13 9.9012e-01 30522 1 1 1 1 8 LYS CD 28.872 . 28.96 1.08 9.3506e-01 30522 1 1 1 1 8 LYS H 8.544 . 8.19 0.6 5.5519e-01 30522 1 1 1 1 8 LYS HA 4.821 . 4.27 0.44 2.1047e-01 30522 1 1 1 1 8 LYS HB2 1.930 . 1.78 0.25 5.4851e-01 30522 1 1 1 1 8 LYS HB3 1.930 . 1.74 0.27 4.8162e-01 30522 1 1 1 1 8 LYS HG2 1.679 . 1.37 0.26 2.3465e-01 30522 1 1 1 1 8 LYS HG3 1.819 . 1.35 0.28 9.3934e-02 30522 1 1 1 1 8 LYS HE2 3.164 . 2.92 0.19 1.9907e-01 30522 1 1 1 1 8 LYS HE3 3.164 . 2.91 0.2 2.0408e-01 30522 1 1 1 1 8 LYS HZ1 7.652 U . 0 . 30522 1 1 1 1 8 LYS HZ2 7.652 U . 0 . 30522 1 1 1 1 8 LYS HZ3 7.652 U . 0 . 30522 1 1 1 1 8 LYS N 121.770 . 121.05 3.77 8.4854e-01 30522 1 1 1 1 8 LYS NZ 124.166 A 33.81 2.81 0.0000e+00 30522 1 1 1 1 15 LYS CA 54.194 . 56.95 2.2 2.1030e-01 30522 1 1 1 1 15 LYS CB 31.257 . 32.79 1.78 3.8911e-01 30522 1 1 1 1 15 LYS CG 24.448 . 24.89 1.13 6.9569e-01 30522 1 1 1 1 15 LYS CE 42.069 . 41.89 0.82 8.2720e-01 30522 1 1 1 1 15 LYS H 8.095 . 8.19 0.6 8.7419e-01 30522 1 1 1 1 15 LYS HA 4.669 . 4.27 0.44 3.6450e-01 30522 1 1 1 1 15 LYS HB2 1.624 . 1.78 0.25 5.3263e-01 30522 1 1 1 1 15 LYS HB3 2.393 . 1.74 0.27 1.5584e-02 30522 1 1 1 1 15 LYS HG2 1.400 . 1.37 0.26 9.0814e-01 30522 1 1 1 1 15 LYS HG3 1.502 . 1.35 0.28 5.8723e-01 30522 1 1 1 1 15 LYS HE2 2.861 . 2.92 0.19 7.5616e-01 30522 1 1 1 1 15 LYS HE3 2.944 . 2.91 0.2 8.6501e-01 30522 1 1 1 1 15 LYS HZ1 7.481 U . 0 . 30522 1 1 1 1 15 LYS HZ2 7.481 U . 0 . 30522 1 1 1 1 15 LYS HZ3 7.481 U . 0 . 30522 1 1 1 1 15 LYS N 127.209 . 121.05 3.77 1.0232e-01 30522 1 1 1 1 15 LYS NZ 108.545 A 33.81 2.81 0.0000e+00 30522 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 8 LYS LYS 0.51 30522 1 1 1 1 8 LYS CYS 0.48 30522 1 1 1 1 15 LYS LYS 0.52 30522 1 1 1 1 15 LYS CYS 0.37 30522 1 1 1 1 15 LYS ARG 0.07 30522 1 1 1 1 15 LYS GLY 0.01 30522 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30522 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 30522 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30522 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30522 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30522 _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_