data_AVS_bmrb_pdb_report_5875 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5875 _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 5875 1 1 1 1 31 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HB2" 0.9970 5875 1 1 1 1 31 LYS . . . . . . "HE2 > HD3" 0.9989 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 5875 1 1 1 1 31 LYS CA 61.7460 . 56.84 2.25 2.9225e-02 5875 1 1 1 1 31 LYS CB 32.5930 . 32.83 1.88 8.9968e-01 5875 1 1 1 1 31 LYS CG 28.2400 . 24.91 1.31 1.1022e-02 5875 1 1 1 1 31 LYS CD 29.8400 . 28.78 1.39 4.4571e-01 5875 1 1 1 1 31 LYS CE 41.1221 . 41.78 0.98 5.0201e-01 5875 1 1 1 1 31 LYS H 8.1288 . 8.22 0.64 8.8669e-01 5875 1 1 1 1 31 LYS HA 3.6676 . 4.28 0.45 1.7355e-01 5875 1 1 1 1 31 LYS HB2 1.5860 . 1.79 0.25 4.1450e-01 5875 1 1 1 1 31 LYS HG2 0.9760 . 1.38 0.27 1.3458e-01 5875 1 1 1 1 31 LYS HG3 0.9380 . 1.37 0.29 1.3631e-01 5875 1 1 1 1 31 LYS HD2 0.9600 . 1.61 0.25 9.3224e-03 5875 1 1 1 1 31 LYS HD3 1.1710 . 1.61 0.25 7.9089e-02 5875 1 1 1 1 31 LYS HE2 1.1650 M 2.93 0.2 1.0946e-18 5875 1 1 1 1 31 LYS HE3 1.8470 S 2.93 0.2 6.1289e-08 5875 1 1 1 1 31 LYS N 118.5449 . 121.16 4.11 5.2460e-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 5875 1 1 1 1 31 LYS LYS 0.88 5875 1 1 1 1 31 LYS GLY 0.08 5875 1 1 1 1 31 LYS MET 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5875 _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 5875 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 5875 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5875 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5875 _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_