data_AVS_bmrb_pdb_report_11429 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11429 _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 57 LYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11429 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 57 LYS C 179.40 . 176.64 2 1.6759e-01 11429 1 1 1 1 57 LYS CA 59.76 . 56.95 2.2 2.0151e-01 11429 1 1 1 1 57 LYS CB 33.24 . 32.79 1.78 8.0042e-01 11429 1 1 1 1 57 LYS H 8.17 . 8.19 0.6 9.7341e-01 11429 1 1 1 1 57 LYS HA 4.09 . 4.27 0.44 6.8247e-01 11429 1 1 1 1 57 LYS HB2 1.60 . 1.78 0.25 4.7153e-01 11429 1 1 1 1 57 LYS HB3 1.75 . 1.74 0.27 9.7046e-01 11429 1 1 1 1 57 LYS HG2 0.88 . 1.37 0.26 5.9482e-02 11429 1 1 1 1 57 LYS HG3 0.98 . 1.35 0.28 1.8636e-01 11429 1 1 1 1 57 LYS HD2 1.24 . 1.61 0.22 9.2604e-02 11429 1 1 1 1 57 LYS HD3 1.24 . 1.6 0.22 1.0176e-01 11429 1 1 1 1 57 LYS HE2 3.03 . 2.92 0.19 5.6262e-01 11429 1 1 1 1 57 LYS HE3 3.03 . 2.91 0.2 5.4851e-01 11429 1 1 1 1 57 LYS NZ 117.37 A 33.81 2.81 0.0000e+00 11429 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 57 LYS CYS 0.28 11429 1 1 1 1 57 LYS VAL 0.19 11429 1 1 1 1 57 LYS LYS 0.13 11429 1 1 1 1 57 LYS GLN 0.09 11429 1 1 1 1 57 LYS MET 0.08 11429 1 1 1 1 57 LYS TRP 0.06 11429 1 1 1 1 57 LYS ARG 0.05 11429 1 1 1 1 57 LYS HIS 0.04 11429 1 1 1 1 57 LYS GLU 0.02 11429 1 1 1 1 57 LYS PRO 0.01 11429 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11429 _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 11429 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11429 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11429 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11429 _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_