data_AVS_bmrb_pdb_report_19542 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19542 _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 57 LYS Anomalous Consistent Suspicious Unknown Anomalous Consistent "C > CA" 1.0000 19542 1 1 1 1 57 LYS . . . . . . "C > CB" 1.0000 19542 1 1 1 1 57 LYS . . . . . . "C > CG" 1.0000 19542 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 57 LYS C 6.768 A 176.64 2 0.0000e+00 19542 1 1 1 1 57 LYS CA 59.018 . 56.95 2.2 3.4722e-01 19542 1 1 1 1 57 LYS CB 33.100 . 32.79 1.78 8.6174e-01 19542 1 1 1 1 57 LYS CG 24.397 . 24.89 1.13 6.6263e-01 19542 1 1 1 1 57 LYS H 6.874 . 8.19 0.6 2.8283e-02 19542 1 1 1 1 57 LYS HA 3.046 . 4.27 0.44 5.4055e-03 19542 1 1 1 1 57 LYS HB2 1.535 . 1.78 0.25 3.2709e-01 19542 1 1 1 1 57 LYS HB3 1.535 . 1.74 0.27 4.4770e-01 19542 1 1 1 1 57 LYS HG2 0.878 . 1.37 0.26 5.8450e-02 19542 1 1 1 1 57 LYS HG3 1.184 . 1.35 0.28 5.5328e-01 19542 1 1 1 1 57 LYS HE2 2.918 . 2.92 0.19 9.9160e-01 19542 1 1 1 1 57 LYS HE3 2.918 . 2.91 0.2 9.6809e-01 19542 1 1 1 1 57 LYS HZ1 7.493 U . 0 . 19542 1 1 1 1 57 LYS HZ2 7.493 U . 0 . 19542 1 1 1 1 57 LYS HZ3 7.493 U . 0 . 19542 1 1 1 1 57 LYS N 124.419 . 121.05 3.77 3.7152e-01 19542 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 57 LYS CYS 0.49 19542 1 1 1 1 57 LYS LYS 0.39 19542 1 1 1 1 57 LYS VAL 0.06 19542 1 1 1 1 57 LYS ARG 0.02 19542 1 1 1 1 57 LYS GLN 0.01 19542 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19542 _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 19542 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19542 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19542 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19542 _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_