data_AVS_bmrb_pdb_report_10084 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10084 _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 10084 1 1 1 1 85 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HB2" 0.9970 10084 1 1 1 1 85 LYS . . . . . . "HE3 > HB2" 0.9970 10084 1 1 1 1 85 LYS . . . . . . "HE3 > HB3" 0.9974 10084 1 1 1 1 85 LYS . . . . . . "HE2 > HD2" 0.9981 10084 1 1 1 1 85 LYS . . . . . . "HE3 > HD2" 0.9989 10084 1 1 1 1 85 LYS . . . . . . "HE3 > 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 10084 1 1 1 1 85 LYS C 176.300 . 176.46 2.05 9.3779e-01 10084 1 1 1 1 85 LYS CA 58.028 . 56.84 2.25 5.9750e-01 10084 1 1 1 1 85 LYS CB 34.600 . 32.83 1.88 3.4645e-01 10084 1 1 1 1 85 LYS CG 26.466 . 24.91 1.31 2.3492e-01 10084 1 1 1 1 85 LYS CD 30.722 . 28.78 1.39 1.6238e-01 10084 1 1 1 1 85 LYS CE 41.841 . 41.78 0.98 9.5037e-01 10084 1 1 1 1 85 LYS H 8.135 . 8.22 0.64 8.9434e-01 10084 1 1 1 1 85 LYS HA 4.104 . 4.28 0.45 6.9571e-01 10084 1 1 1 1 85 LYS HB2 1.884 . 1.79 0.25 7.0692e-01 10084 1 1 1 1 85 LYS HB3 1.413 . 1.78 0.26 1.5809e-01 10084 1 1 1 1 85 LYS HG2 0.894 . 1.38 0.27 7.1861e-02 10084 1 1 1 1 85 LYS HG3 0.644 . 1.37 0.29 1.2299e-02 10084 1 1 1 1 85 LYS HD2 1.838 . 1.61 0.25 3.6177e-01 10084 1 1 1 1 85 LYS HD3 1.713 . 1.61 0.25 6.8034e-01 10084 1 1 1 1 85 LYS HE2 1.836 S 2.93 0.2 4.5004e-08 10084 1 1 1 1 85 LYS HE3 0.935 M 2.93 0.2 1.9610e-23 10084 1 1 1 1 85 LYS N 125.456 . 121.16 4.11 2.9590e-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 10084 1 1 1 1 85 LYS ARG 0.58 10084 1 1 1 1 85 LYS LYS 0.36 10084 1 1 1 1 85 LYS MET 0.03 10084 1 1 1 1 85 LYS GLY 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10084 _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 10084 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 10084 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10084 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10084 _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_