data_AVS_bmrb_pdb_report_11204 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11204 _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 40 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11204 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 40 LYS C 168.909 A 176.46 2.05 2.3013e-04 11204 1 1 1 1 40 LYS CA 54.443 . 56.84 2.25 2.8673e-01 11204 1 1 1 1 40 LYS CB 32.947 . 32.83 1.88 9.5038e-01 11204 1 1 1 1 40 LYS CG 25.250 . 24.91 1.31 7.9522e-01 11204 1 1 1 1 40 LYS CD 29.153 . 28.78 1.39 7.8843e-01 11204 1 1 1 1 40 LYS CE 42.152 . 41.78 0.98 7.0425e-01 11204 1 1 1 1 40 LYS H 7.787 . 8.22 0.64 4.9868e-01 11204 1 1 1 1 40 LYS HA 4.485 . 4.28 0.45 6.4871e-01 11204 1 1 1 1 40 LYS HB2 1.702 . 1.79 0.25 7.2484e-01 11204 1 1 1 1 40 LYS HB3 1.381 . 1.78 0.26 1.2488e-01 11204 1 1 1 1 40 LYS HG2 1.452 . 1.38 0.27 7.8973e-01 11204 1 1 1 1 40 LYS HG3 1.360 . 1.37 0.29 9.7249e-01 11204 1 1 1 1 40 LYS HD2 1.608 . 1.61 0.25 9.9362e-01 11204 1 1 1 1 40 LYS HD3 1.556 . 1.61 0.25 8.2899e-01 11204 1 1 1 1 40 LYS HE2 2.956 . 2.93 0.2 8.9657e-01 11204 1 1 1 1 40 LYS HE3 2.900 . 2.93 0.2 8.8076e-01 11204 1 1 1 1 40 LYS N 123.632 . 121.16 4.11 5.4753e-01 11204 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 40 LYS LYS 0.44 11204 1 1 1 1 40 LYS CYS 0.32 11204 1 1 1 1 40 LYS ARG 0.18 11204 1 1 1 1 40 LYS MET 0.02 11204 1 1 1 1 40 LYS GLY 0.01 11204 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11204 _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 11204 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11204 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11204 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11204 _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_