data_AVS_bmrb_pdb_report_25127 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25127 _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 1 164 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25127 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 1 164 ILE CA 60.034 . 61.61 2.68 5.5649e-01 25127 1 1 1 1 164 ILE CB 37.221 . 38.63 2.02 4.8547e-01 25127 1 1 1 1 164 ILE CG1 27.151 . 27.71 1.68 7.3933e-01 25127 1 1 1 1 164 ILE CG2 17.272 . 17.53 1.36 8.4954e-01 25127 1 1 1 1 164 ILE CD1 10.746 . 13.43 1.67 1.0801e-01 25127 1 1 1 1 164 ILE HA 4.972 . 4.18 0.56 1.5728e-01 25127 1 1 1 1 164 ILE HB 0.940 . 1.78 0.29 3.7729e-03 25127 1 1 1 1 164 ILE HG12 -0.168 S 1.28 0.4 2.9460e-04 25127 1 1 1 1 164 ILE HG13 0.473 . 1.19 0.41 8.0329e-02 25127 1 1 1 1 164 ILE HG21 0.226 . 0.77 0.27 4.3924e-02 25127 1 1 1 1 164 ILE HG22 0.226 . 0.77 0.27 4.3924e-02 25127 1 1 1 1 164 ILE HG23 0.226 . 0.77 0.27 4.3924e-02 25127 1 1 1 1 164 ILE HD11 -1.468 A 0.68 0.29 1.2929e-13 25127 1 1 1 1 164 ILE HD12 -1.468 A 0.68 0.29 1.2929e-13 25127 1 1 1 1 164 ILE HD13 -1.468 A 0.68 0.29 1.2929e-13 25127 1 1 1 1 164 ILE N 131.645 . 121.46 4.28 1.7328e-02 25127 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 1 164 ILE ILE 0.99 25127 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25127 _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 25127 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25127 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25127 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25127 _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_