data_AVS_bmrb_pdb_report_10037 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10037 _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 10037 1 1 1 1 45 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10037 1 1 1 1 72 CYS 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 10037 1 1 1 1 45 LYS C 175.392 . 176.46 2.05 6.0238e-01 10037 1 1 1 1 45 LYS CA 53.874 . 56.84 2.25 1.8743e-01 10037 1 1 1 1 45 LYS CB 32.558 . 32.83 1.88 8.8496e-01 10037 1 1 1 1 45 LYS CG 25.238 . 24.91 1.31 8.0229e-01 10037 1 1 1 1 45 LYS CD 29.522 . 28.78 1.39 5.9347e-01 10037 1 1 1 1 45 LYS CE 42.181 . 41.78 0.98 6.8240e-01 10037 1 1 1 1 45 LYS H 8.065 . 8.22 0.64 8.0863e-01 10037 1 1 1 1 45 LYS HA 4.066 . 4.28 0.45 6.3439e-01 10037 1 1 1 1 45 LYS HB2 0.649 S 1.79 0.25 5.0188e-06 10037 1 1 1 1 45 LYS HB3 -1.404 M 1.78 0.26 1.7615e-34 10037 1 1 1 1 45 LYS HG2 -0.404 S 1.38 0.27 3.9111e-11 10037 1 1 1 1 45 LYS HG3 0.283 S 1.37 0.29 1.7805e-04 10037 1 1 1 1 45 LYS HD2 0.995 . 1.61 0.25 1.3894e-02 10037 1 1 1 1 45 LYS HD3 0.995 . 1.61 0.25 1.3894e-02 10037 1 1 1 1 45 LYS HE2 2.520 . 2.93 0.2 4.0364e-02 10037 1 1 1 1 45 LYS HE3 2.407 . 2.93 0.2 8.9227e-03 10037 1 1 1 1 45 LYS N 127.682 . 121.16 4.11 1.1254e-01 10037 1 1 1 1 72 CYS C 177.775 . 174.78 1.99 1.3232e-01 10037 1 1 1 1 72 CYS CA 66.084 . 57.43 3.41 1.1154e-02 10037 1 1 1 1 72 CYS CB 26.169 . 34.15 6.77 2.3845e-01 10037 1 1 1 1 72 CYS H 11.329 M 8.42 0.66 1.0453e-05 10037 1 1 1 1 72 CYS HA 3.696 . 4.73 0.57 6.9672e-02 10037 1 1 1 1 72 CYS HB2 3.063 . 2.95 0.43 7.9271e-01 10037 1 1 1 1 72 CYS HB3 3.217 . 2.98 0.45 5.9842e-01 10037 1 1 1 1 72 CYS N 123.937 . 119.95 4.79 4.0521e-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 10037 1 1 1 1 45 LYS LYS 0.44 10037 1 1 1 1 45 LYS CYS 0.3 10037 1 1 1 1 45 LYS ARG 0.19 10037 1 1 1 1 45 LYS MET 0.03 10037 1 1 1 1 45 LYS GLY 0.01 10037 1 1 1 1 72 CYS ILE 0.52 10037 1 1 1 1 72 CYS PRO 0.39 10037 1 1 1 1 72 CYS CYS 0.04 10037 1 1 1 1 72 CYS VAL 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10037 _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 10037 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 10037 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10037 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10037 _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_