data_AVS_bmrb_pdb_report_7299 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7299 _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 1 ACE UNSUPPORTED . . . . . . . 7299 1 1 1 1 2 LYS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HA > HE2" 0.9935 7299 1 1 1 1 32 ILE Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7299 1 1 1 1 241 NH UNSUPPORTED . . . . . . . 7299 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 2 LYS H 8.200 . 8.19 0.6 9.8670e-01 7299 1 1 1 1 2 LYS HA 4.240 . 4.27 0.44 9.4564e-01 7299 1 1 1 1 2 LYS HB2 1.440 . 1.78 0.25 1.7383e-01 7299 1 1 1 1 2 LYS HG2 1.810 . 1.37 0.26 9.0587e-02 7299 1 1 1 1 2 LYS HD2 1.720 . 1.61 0.22 6.1707e-01 7299 1 1 1 1 2 LYS HE2 7.750 A 2.92 0.19 0.0000e+00 7299 1 1 1 1 2 LYS HE3 3.040 . 2.91 0.2 5.1569e-01 7299 1 1 1 1 32 ILE HA 4.560 . 4.18 0.56 4.9741e-01 7299 1 1 1 1 32 ILE HB 2.200 . 1.78 0.29 1.4754e-01 7299 1 1 1 1 32 ILE HG12 1.980 . 1.28 0.4 8.0118e-02 7299 1 1 1 1 32 ILE HG13 1.980 . 1.19 0.41 5.4001e-02 7299 1 1 1 1 32 ILE HG21 2.120 S 0.77 0.27 5.7330e-07 7299 1 1 1 1 32 ILE HG22 2.120 S 0.77 0.27 5.7330e-07 7299 1 1 1 1 32 ILE HG23 2.120 S 0.77 0.27 5.7330e-07 7299 1 1 1 1 32 ILE HD11 3.810 A 0.68 0.29 3.7104e-27 7299 1 1 1 1 32 ILE HD12 3.810 A 0.68 0.29 3.7104e-27 7299 1 1 1 1 32 ILE HD13 3.810 A 0.68 0.29 3.7104e-27 7299 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7299 _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 7299 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7299 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7299 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7299 _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_