data_AVS_bmrb_pdb_report_11156 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11156 _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 37 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11156 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 37 LYS C 175.778 . 176.46 2.05 7.3937e-01 11156 1 1 1 1 37 LYS CA 55.914 . 56.84 2.25 6.8066e-01 11156 1 1 1 1 37 LYS CB 32.640 . 32.83 1.88 9.1950e-01 11156 1 1 1 1 37 LYS CG 23.939 . 24.91 1.31 4.5856e-01 11156 1 1 1 1 37 LYS CD 30.188 . 28.78 1.39 3.1108e-01 11156 1 1 1 1 37 LYS CE 41.369 . 41.78 0.98 6.7493e-01 11156 1 1 1 1 37 LYS H 8.774 . 8.22 0.64 3.8670e-01 11156 1 1 1 1 37 LYS HA 4.182 . 4.28 0.45 8.2760e-01 11156 1 1 1 1 37 LYS HB2 1.271 . 1.79 0.25 3.7894e-02 11156 1 1 1 1 37 LYS HB3 1.449 . 1.78 0.26 2.0299e-01 11156 1 1 1 1 37 LYS HG2 0.527 . 1.38 0.27 1.5817e-03 11156 1 1 1 1 37 LYS HG3 -0.867 A 1.37 0.29 1.2213e-14 11156 1 1 1 1 37 LYS HD2 1.007 . 1.61 0.25 1.5865e-02 11156 1 1 1 1 37 LYS HD3 1.159 . 1.61 0.25 7.1231e-02 11156 1 1 1 1 37 LYS HE2 2.093 S 2.93 0.2 2.8517e-05 11156 1 1 1 1 37 LYS HE3 2.093 S 2.93 0.2 2.8517e-05 11156 1 1 1 1 37 LYS N 125.870 . 121.16 4.11 2.5180e-01 11156 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 37 LYS CYS 0.46 11156 1 1 1 1 37 LYS LYS 0.45 11156 1 1 1 1 37 LYS ARG 0.07 11156 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11156 _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.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 11156 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11156 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11156 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11156 _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_