data_AVS_bmrb_pdb_report_6298 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6298 _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 6298 1 1 1 1 3 LYS 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 6298 1 1 1 1 3 LYS C 174.298 . 176.46 2.05 2.9159e-01 6298 1 1 1 1 3 LYS CA 57.006 . 56.84 2.25 9.4119e-01 6298 1 1 1 1 3 LYS CB 32.787 . 32.83 1.88 9.8175e-01 6298 1 1 1 1 3 LYS CG 26.485 . 24.91 1.31 2.2925e-01 6298 1 1 1 1 3 LYS CD 29.339 . 28.78 1.39 6.8757e-01 6298 1 1 1 1 3 LYS CE 41.916 . 41.78 0.98 8.8963e-01 6298 1 1 1 1 3 LYS H 3.63 M 8.22 0.64 7.3977e-13 6298 1 1 1 1 3 LYS HA 3.603 . 4.28 0.45 1.3247e-01 6298 1 1 1 1 3 LYS HB2 0.705 S 1.79 0.25 1.4248e-05 6298 1 1 1 1 3 LYS HB3 1.445 . 1.78 0.26 1.9759e-01 6298 1 1 1 1 3 LYS HG2 0.909 . 1.38 0.27 8.1082e-02 6298 1 1 1 1 3 LYS HG3 0.963 . 1.37 0.29 1.6048e-01 6298 1 1 1 1 3 LYS HD2 1.465 . 1.61 0.25 5.6191e-01 6298 1 1 1 1 3 LYS HD3 1.469 . 1.61 0.25 5.7275e-01 6298 1 1 1 1 3 LYS HE2 2.932 . 2.93 0.2 9.9202e-01 6298 1 1 1 1 3 LYS HE3 2.924 . 2.93 0.2 9.7607e-01 6298 1 1 1 1 3 LYS N 114.564 . 121.16 4.11 1.0852e-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 6298 1 1 1 1 3 LYS CYS 0.36 6298 1 1 1 1 3 LYS LYS 0.33 6298 1 1 1 1 3 LYS ARG 0.27 6298 1 1 1 1 3 LYS MET 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6298 _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 6298 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 6298 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6298 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6298 _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_