data_AVS_bmrb_pdb_report_18709 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18709 _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 56 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE2 > HB2" 0.9970 18709 1 1 1 1 56 LYS . . . . . . "HE2 > HB3" 0.9957 18709 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 56 LYS C 180.132 . 176.64 2 8.0811e-02 18709 1 1 1 1 56 LYS CA 59.502 . 56.95 2.2 2.4605e-01 18709 1 1 1 1 56 LYS CB 32.855 . 32.79 1.78 9.7087e-01 18709 1 1 1 1 56 LYS CG 26.238 . 24.89 1.13 2.3290e-01 18709 1 1 1 1 56 LYS CD 29.199 . 28.96 1.08 8.2486e-01 18709 1 1 1 1 56 LYS CE 41.971 . 41.89 0.82 9.2131e-01 18709 1 1 1 1 56 LYS H 8.115 . 8.19 0.6 9.0052e-01 18709 1 1 1 1 56 LYS HA 4.098 . 4.27 0.44 6.9586e-01 18709 1 1 1 1 56 LYS HB2 1.566 . 1.78 0.25 3.9200e-01 18709 1 1 1 1 56 LYS HB3 1.766 . 1.74 0.27 9.2329e-01 18709 1 1 1 1 56 LYS HG2 -0.012 S 1.37 0.26 1.0643e-07 18709 1 1 1 1 56 LYS HG3 0.997 . 1.35 0.28 2.0741e-01 18709 1 1 1 1 56 LYS HD2 0.819 S 1.61 0.22 3.2383e-04 18709 1 1 1 1 56 LYS HD3 0.866 S 1.6 0.22 8.4882e-04 18709 1 1 1 1 56 LYS HE2 1.245 A 2.92 0.19 1.1884e-18 18709 1 1 1 1 56 LYS HE3 1.928 S 2.91 0.2 9.1076e-07 18709 1 1 1 1 56 LYS N 116.710 . 121.05 3.77 2.4965e-01 18709 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 56 LYS CYS 0.46 18709 1 1 1 1 56 LYS LYS 0.36 18709 1 1 1 1 56 LYS ARG 0.16 18709 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18709 _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 18709 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18709 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18709 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18709 _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_