data_AVS_bmrb_pdb_report_15914 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15914 _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 60 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15914 1 1 1 1 64 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15914 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 60 LYS C 177.908 . 176.46 2.05 4.7998e-01 15914 1 1 1 1 60 LYS CA 56.623 . 56.84 2.25 9.2317e-01 15914 1 1 1 1 60 LYS CB 32.279 . 32.83 1.88 7.6946e-01 15914 1 1 1 1 60 LYS CG 25.559 . 24.91 1.31 6.2030e-01 15914 1 1 1 1 60 LYS CD 29.147 . 28.78 1.39 7.9176e-01 15914 1 1 1 1 60 LYS CE 42.045 . 41.78 0.98 7.8685e-01 15914 1 1 1 1 60 LYS H 5.892 S 8.22 0.64 2.7530e-04 15914 1 1 1 1 60 LYS HA 3.798 . 4.28 0.45 2.8412e-01 15914 1 1 1 1 60 LYS HB2 -0.212 A 1.79 0.25 1.1659e-15 15914 1 1 1 1 60 LYS HB3 1.312 . 1.78 0.26 7.1861e-02 15914 1 1 1 1 60 LYS HG2 0.878 . 1.38 0.27 6.2991e-02 15914 1 1 1 1 60 LYS HG3 0.981 . 1.37 0.29 1.7980e-01 15914 1 1 1 1 60 LYS HD2 1.452 . 1.61 0.25 5.2739e-01 15914 1 1 1 1 60 LYS HD3 1.452 . 1.61 0.25 5.2739e-01 15914 1 1 1 1 60 LYS HE2 2.730 . 2.93 0.2 3.1731e-01 15914 1 1 1 1 60 LYS HE3 2.730 . 2.93 0.2 3.1731e-01 15914 1 1 1 1 60 LYS N 121.527 . 121.16 4.11 9.2885e-01 15914 1 1 1 1 64 THR CA 69.362 A 62.15 2.72 8.0142e-03 15914 1 1 1 1 64 THR CB 66.962 . 69.64 1.7 1.1519e-01 15914 1 1 1 1 64 THR CG2 21.686 . 21.44 1.39 8.5953e-01 15914 1 1 1 1 64 THR H 7.747 . 8.27 0.62 3.9892e-01 15914 1 1 1 1 64 THR HA 4.266 . 4.48 0.5 6.6865e-01 15914 1 1 1 1 64 THR HB 4.443 . 4.17 0.37 4.6061e-01 15914 1 1 1 1 64 THR HG21 1.200 . 1.16 0.28 8.8640e-01 15914 1 1 1 1 64 THR HG22 1.200 . 1.16 0.28 8.8640e-01 15914 1 1 1 1 64 THR HG23 1.200 . 1.16 0.28 8.8640e-01 15914 1 1 1 1 64 THR N 113.755 . 115.7 5.05 7.0013e-01 15914 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 60 LYS LYS 0.59 15914 1 1 1 1 60 LYS ARG 0.35 15914 1 1 1 1 60 LYS MET 0.03 15914 1 1 1 1 60 LYS GLY 0.01 15914 1 1 1 1 64 THR THR 0.99 15914 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15914 _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 15914 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15914 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15914 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15914 _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_