data_AVS_bmrb_pdb_report_15734 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15734 _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 15734 1 1 1 1 104 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 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 15734 1 1 1 1 104 ILE C 173.100 . 175.82 1.95 1.6305e-01 15734 1 1 1 1 104 ILE CA 60.730 . 61.59 2.78 7.5705e-01 15734 1 1 1 1 104 ILE CB 44.700 M 38.58 2.09 3.4090e-03 15734 1 1 1 1 104 ILE CG1 27.200 . 27.65 2.32 8.4620e-01 15734 1 1 1 1 104 ILE CG2 15.300 . 17.36 1.6 1.9792e-01 15734 1 1 1 1 104 ILE CD1 18.000 . 13.41 1.91 1.6255e-02 15734 1 1 1 1 104 ILE H 8.690 . 8.26 0.71 5.4476e-01 15734 1 1 1 1 104 ILE HA 5.002 . 4.2 0.56 1.5210e-01 15734 1 1 1 1 104 ILE HB 1.492 . 1.8 0.31 3.2044e-01 15734 1 1 1 1 104 ILE HG2 0.890 . 0.8 0.29 7.5630e-01 15734 1 1 1 1 104 ILE HG12 0.860 . 1.3 0.4 2.7133e-01 15734 1 1 1 1 104 ILE HG13 1.370 . 1.24 0.4 7.4518e-01 15734 1 1 1 1 104 ILE HD1 0.862 . 0.7 0.3 5.8920e-01 15734 1 1 1 1 104 ILE N 118.341 . 121.6 4.72 4.8990e-01 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.PRTL_comp_type _AVS_analysis.PRTL_probability_score 15734 1 1 1 1 104 ILE GLY 0.63 15734 1 1 1 1 104 ILE CYS 0.35 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15734 _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 15734 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 15734 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15734 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15734 _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_