data_AVS_bmrb_pdb_report_5803 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5803 _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 5803 1 1 1 1 99 ILE Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 5803 1 1 1 1 106 MET Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 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 5803 1 1 1 1 99 ILE H 8.11 . 8.26 0.71 8.3268e-01 5803 1 1 1 1 99 ILE HA 2.79 . 4.2 0.56 1.1807e-02 5803 1 1 1 1 99 ILE HB 1.49 . 1.8 0.31 3.1731e-01 5803 1 1 1 1 99 ILE HG2 -0.25 S 0.8 0.29 2.9382e-04 5803 1 1 1 1 99 ILE HG12 -2.04 M 1.3 0.4 6.8263e-17 5803 1 1 1 1 99 ILE HG13 0.68 . 1.24 0.4 1.6151e-01 5803 1 1 1 1 99 ILE HD1 0.00 . 0.7 0.3 1.9631e-02 5803 1 1 1 1 106 MET H 7.17 . 8.26 0.6 6.9268e-02 5803 1 1 1 1 106 MET HA 3.87 . 4.39 0.46 2.5829e-01 5803 1 1 1 1 106 MET HB2 -1.03 M 2.03 0.38 8.1033e-16 5803 1 1 1 1 106 MET HB3 0.45 S 2.01 0.36 1.4687e-05 5803 1 1 1 1 106 MET HG2 0.51 S 2.44 0.36 8.2712e-08 5803 1 1 1 1 106 MET HG3 -0.06 M 2.41 0.4 6.6163e-10 5803 1 1 1 1 106 MET HE -0.07 S 1.86 0.47 4.0190e-05 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5803 _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 5803 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 5803 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5803 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5803 _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_