data_AVS_bmrb_pdb_report_16312 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16312 _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 52 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16312 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 52 LYS CA 52.8 . 56.84 2.25 7.2565e-02 16312 1 1 1 1 52 LYS CB 33.1 . 32.83 1.88 8.8580e-01 16312 1 1 1 1 52 LYS CG 24.5 . 24.91 1.31 7.5430e-01 16312 1 1 1 1 52 LYS CD 28.8 . 28.78 1.39 9.8852e-01 16312 1 1 1 1 52 LYS CE 42.2 . 41.78 0.98 6.6823e-01 16312 1 1 1 1 52 LYS H 11.84 A 8.22 0.64 1.5472e-08 16312 1 1 1 1 52 LYS HA 4.98 . 4.28 0.45 1.1981e-01 16312 1 1 1 1 52 LYS HB2 2.23 . 1.79 0.25 7.8408e-02 16312 1 1 1 1 52 LYS HB3 1.63 . 1.78 0.26 5.6399e-01 16312 1 1 1 1 52 LYS HG2 1.73 . 1.38 0.27 1.9487e-01 16312 1 1 1 1 52 LYS HG3 1.72 . 1.37 0.29 2.2747e-01 16312 1 1 1 1 52 LYS HD2 1.61 . 1.61 0.25 1.0000e+00 16312 1 1 1 1 52 LYS HD3 1.61 . 1.61 0.25 1.0000e+00 16312 1 1 1 1 52 LYS HE2 3.07 . 2.93 0.2 4.8393e-01 16312 1 1 1 1 52 LYS HE3 3.06 . 2.93 0.2 5.1569e-01 16312 1 1 1 1 52 LYS N 133.9 . 121.16 4.11 1.9368e-03 16312 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 52 LYS LYS 0.71 16312 1 1 1 1 52 LYS ARG 0.2 16312 1 1 1 1 52 LYS MET 0.03 16312 1 1 1 1 52 LYS GLY 0.03 16312 1 1 1 1 52 LYS ALA 0.01 16312 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16312 _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 16312 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16312 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16312 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16312 _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_