data_AVS_bmrb_pdb_report_10126 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10126 _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 10126 1 1 1 1 89 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HB2" 0.9970 10126 1 1 1 1 89 LYS . . . . . . "HE2 > HB3" 0.9957 10126 1 1 1 1 89 LYS . . . . . . "HE3 > HB3" 0.9974 10126 1 1 1 1 89 LYS . . . . . . "HE2 > HG2" 0.9988 10126 1 1 1 1 89 LYS . . . . . . "HE2 > HD2" 0.9981 10126 1 1 1 1 89 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 10126 1 1 1 1 89 LYS C 176.276 . 176.46 2.05 9.2848e-01 10126 1 1 1 1 89 LYS CA 57.611 . 56.84 2.25 7.3185e-01 10126 1 1 1 1 89 LYS CB 33.861 . 32.83 1.88 5.8341e-01 10126 1 1 1 1 89 LYS CG 27.363 . 24.91 1.31 6.1135e-02 10126 1 1 1 1 89 LYS CD 29.705 . 28.78 1.39 5.0575e-01 10126 1 1 1 1 89 LYS CE 41.986 . 41.78 0.98 8.3351e-01 10126 1 1 1 1 89 LYS H 8.131 . 8.22 0.64 8.8940e-01 10126 1 1 1 1 89 LYS HA 4.493 . 4.28 0.45 6.3598e-01 10126 1 1 1 1 89 LYS HB2 1.709 . 1.79 0.25 7.4594e-01 10126 1 1 1 1 89 LYS HB3 2.143 . 1.78 0.26 1.6267e-01 10126 1 1 1 1 89 LYS HG2 1.301 . 1.38 0.27 7.6983e-01 10126 1 1 1 1 89 LYS HG3 1.178 . 1.37 0.29 5.0793e-01 10126 1 1 1 1 89 LYS HD2 1.454 . 1.61 0.25 5.3263e-01 10126 1 1 1 1 89 LYS HD3 1.567 . 1.61 0.25 8.6344e-01 10126 1 1 1 1 89 LYS HE2 1.178 M 2.93 0.2 1.9525e-18 10126 1 1 1 1 89 LYS HE3 2.028 S 2.93 0.2 6.4828e-06 10126 1 1 1 1 89 LYS N 121.455 . 121.16 4.11 9.4278e-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 10126 1 1 1 1 89 LYS ARG 0.61 10126 1 1 1 1 89 LYS LYS 0.35 10126 1 1 1 1 89 LYS GLY 0.01 10126 1 1 1 1 89 LYS MET 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10126 _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 10126 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 10126 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10126 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10126 _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_