data_AVS_bmrb_pdb_report_19398 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19398 _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 53 LYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19398 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 53 LYS C 179.354 . 176.64 2 1.7478e-01 19398 1 1 1 1 53 LYS CA 60.863 . 56.95 2.2 7.5300e-02 19398 1 1 1 1 53 LYS CB 31.732 . 32.79 1.78 5.5226e-01 19398 1 1 1 1 53 LYS CG 26.006 . 24.89 1.13 3.2334e-01 19398 1 1 1 1 53 LYS CD 29.609 . 28.96 1.08 5.4789e-01 19398 1 1 1 1 53 LYS CE 42.191 . 41.89 0.82 7.1356e-01 19398 1 1 1 1 53 LYS H 7.719 . 8.19 0.6 4.3245e-01 19398 1 1 1 1 53 LYS HA 3.394 . 4.27 0.44 4.6491e-02 19398 1 1 1 1 53 LYS HB2 1.116 . 1.78 0.25 7.9074e-03 19398 1 1 1 1 53 LYS HB3 0.954 . 1.74 0.27 3.6015e-03 19398 1 1 1 1 53 LYS HG2 -0.504 S 1.37 0.26 5.6908e-13 19398 1 1 1 1 53 LYS HG3 -1.164 A 1.35 0.28 2.7431e-19 19398 1 1 1 1 53 LYS HD2 0.534 S 1.61 0.22 1.0037e-06 19398 1 1 1 1 53 LYS HD3 0.534 S 1.6 0.22 1.2632e-06 19398 1 1 1 1 53 LYS HE2 1.940 S 2.92 0.19 2.4974e-07 19398 1 1 1 1 53 LYS HE3 1.715 S 2.91 0.2 2.3009e-09 19398 1 1 1 1 53 LYS N 123.722 . 121.05 3.77 4.7848e-01 19398 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 53 LYS LYS 0.63 19398 1 1 1 1 53 LYS ARG 0.34 19398 1 1 1 1 53 LYS GLY 0.02 19398 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19398 _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 19398 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19398 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19398 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19398 _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_