data_AVS_bmrb_pdb_report_4633 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4633 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4633 1 1 1 1 6 ILE Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HB > HD1" 0.9941 4633 1 1 1 1 22 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 4633 1 1 1 1 23 GLU Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 4633 1 1 1 1 30 GLY Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "H > HA2" 0.9980 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4633 1 1 1 1 6 ILE H 8.69 . 8.26 0.71 5.4476e-01 4633 1 1 1 1 6 ILE HA 4.85 . 4.2 0.56 2.4576e-01 4633 1 1 1 1 6 ILE HB 1.98 . 1.8 0.31 5.6148e-01 4633 1 1 1 1 6 ILE HG12 1.45 . 1.3 0.4 7.0766e-01 4633 1 1 1 1 6 ILE HG13 1.45 . 1.24 0.4 5.9958e-01 4633 1 1 1 1 6 ILE HD1 2.96 M 0.7 0.3 4.9461e-14 4633 1 1 1 1 22 GLU H 8.28 . 8.34 0.61 9.2165e-01 4633 1 1 1 1 22 GLU HA 3.71 . 4.26 0.43 2.0087e-01 4633 1 1 1 1 22 GLU HB2 1.65 . 2.04 0.22 7.6274e-02 4633 1 1 1 1 22 GLU HB3 1.65 . 2.04 0.23 8.9952e-02 4633 1 1 1 1 22 GLU HG2 1.15 S 2.31 0.21 3.3173e-08 4633 1 1 1 1 22 GLU HG3 0.78 M 2.31 0.21 3.1997e-13 4633 1 1 1 1 23 GLU H 8.4 . 8.34 0.61 9.2165e-01 4633 1 1 1 1 23 GLU HA 3.89 . 4.26 0.43 3.8953e-01 4633 1 1 1 1 23 GLU HG2 1.15 S 2.31 0.21 3.3173e-08 4633 1 1 1 1 23 GLU HG3 0.78 M 2.31 0.21 3.1997e-13 4633 1 1 1 1 30 GLY H 7.3 . 8.34 0.74 1.5990e-01 4633 1 1 1 1 30 GLY HA2 7.31 M 3.95 0.4 4.4648e-17 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4633 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 4633 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 4633 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4633 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4633 _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_