data_AVS_bmrb_pdb_report_10313 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10313 _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 12 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE3 > HB2" 0.9970 10313 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 12 LYS C 172.678 . 176.46 2.05 6.5055e-02 10313 1 1 1 1 12 LYS CA 56.818 . 56.84 2.25 9.9220e-01 10313 1 1 1 1 12 LYS CB 37.209 . 32.83 1.88 1.9846e-02 10313 1 1 1 1 12 LYS CG 25.388 . 24.91 1.31 7.1520e-01 10313 1 1 1 1 12 LYS CD 28.956 . 28.78 1.39 8.9924e-01 10313 1 1 1 1 12 LYS CE 40.648 . 41.78 0.98 2.4805e-01 10313 1 1 1 1 12 LYS H 7.840 . 8.22 0.64 5.5268e-01 10313 1 1 1 1 12 LYS HA 4.215 . 4.28 0.45 8.8515e-01 10313 1 1 1 1 12 LYS HB2 1.518 . 1.79 0.25 2.7660e-01 10313 1 1 1 1 12 LYS HB3 0.720 S 1.78 0.26 4.5636e-05 10313 1 1 1 1 12 LYS HG2 -0.048 S 1.38 0.27 1.2306e-07 10313 1 1 1 1 12 LYS HG3 0.992 . 1.37 0.29 1.9242e-01 10313 1 1 1 1 12 LYS HD2 -0.672 A 1.61 0.25 6.9776e-20 10313 1 1 1 1 12 LYS HD3 0.671 S 1.61 0.25 1.7265e-04 10313 1 1 1 1 12 LYS HE2 1.662 S 2.93 0.2 2.2977e-10 10313 1 1 1 1 12 LYS HE3 1.496 S 2.93 0.2 7.4998e-13 10313 1 1 1 1 12 LYS N 121.840 . 121.16 4.11 8.6859e-01 10313 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 12 LYS CYS 0.71 10313 1 1 1 1 12 LYS LYS 0.18 10313 1 1 1 1 12 LYS ARG 0.09 10313 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10313 _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 10313 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10313 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10313 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10313 _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_