data_AVS_bmrb_pdb_report_34121 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34121 _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 1 206 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 34121 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 34121 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 1 206 LYS CA 57.237 . 56.95 2.2 8.9621e-01 34121 1 1 1 1 206 LYS CB 33.233 . 32.79 1.78 8.0346e-01 34121 1 1 1 1 206 LYS CG 26.736 . 24.89 1.13 1.0234e-01 34121 1 1 1 1 206 LYS CD 29.977 . 28.96 1.08 3.4636e-01 34121 1 1 1 1 206 LYS CE 42.638 . 41.89 0.82 3.6167e-01 34121 1 1 1 1 206 LYS H 9.112 . 8.19 0.6 1.2437e-01 34121 1 1 1 1 206 LYS HA 4.814 . 4.27 0.44 2.1632e-01 34121 1 1 1 1 206 LYS HB2 0.451 S 1.78 0.25 1.0607e-07 34121 1 1 1 1 206 LYS HB3 -1.020 A 1.74 0.27 1.5768e-24 34121 1 1 1 1 206 LYS HG2 0.477 S 1.37 0.26 5.9340e-04 34121 1 1 1 1 206 LYS HG3 0.106 S 1.35 0.28 8.8772e-06 34121 1 1 1 1 206 LYS HD2 0.099 S 1.61 0.22 6.5025e-12 34121 1 1 1 1 206 LYS HD3 -0.360 S 1.6 0.22 5.1453e-19 34121 1 1 1 1 206 LYS HE2 1.592 S 2.92 0.19 2.7592e-12 34121 1 1 1 1 206 LYS HE3 0.980 A 2.91 0.2 4.9156e-22 34121 1 1 1 1 206 LYS N 119.990 . 121.05 3.77 7.7858e-01 34121 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 1 206 LYS ARG 0.64 34121 1 1 1 1 206 LYS LYS 0.32 34121 1 1 1 1 206 LYS GLY 0.02 34121 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34121 _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 34121 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34121 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34121 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34121 _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_