data_AVS_bmrb_pdb_report_17768 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17768 _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 15 LYS Anomalous Suspicious Consistent Suspicious Anomalous Consistent . . 17768 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 15 LYS CA 58.300 . 56.95 2.2 5.3946e-01 17768 1 1 1 1 15 LYS CB 31.800 . 32.79 1.78 5.7809e-01 17768 1 1 1 1 15 LYS CG 28.900 S 24.89 1.13 3.8718e-04 17768 1 1 1 1 15 LYS CD 42.700 A 28.96 1.08 4.4502e-37 17768 1 1 1 1 15 LYS H 7.470 . 8.19 0.6 2.3014e-01 17768 1 1 1 1 15 LYS HA 3.620 . 4.27 0.44 1.3960e-01 17768 1 1 1 1 15 LYS HB2 1.050 . 1.78 0.25 3.5003e-03 17768 1 1 1 1 15 LYS HB3 0.880 . 1.74 0.27 1.4466e-03 17768 1 1 1 1 15 LYS HG2 1.310 . 1.37 0.26 8.1749e-01 17768 1 1 1 1 15 LYS HG3 1.230 . 1.35 0.28 6.6823e-01 17768 1 1 1 1 15 LYS HD2 2.760 S 1.61 0.22 1.7203e-07 17768 1 1 1 1 15 LYS HD3 2.690 S 1.6 0.22 7.2500e-07 17768 1 1 1 1 15 LYS N 116.200 . 121.05 3.77 1.9828e-01 17768 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 15 LYS ARG 0.91 17768 1 1 1 1 15 LYS GLY 0.08 17768 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17768 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 17768 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17768 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17768 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17768 _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_