data_AVS_bmrb_pdb_report_15091 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15091 _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 1 113 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15091 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 1 113 LEU CA 55.107 . 55.65 2.21 8.0591e-01 15091 1 1 1 1 113 LEU CB 39.512 . 42.37 1.86 1.2440e-01 15091 1 1 1 1 113 LEU CG 25.956 . 26.77 1.25 5.1492e-01 15091 1 1 1 1 113 LEU CD1 23.144 . 24.73 1.71 3.5367e-01 15091 1 1 1 1 113 LEU CD2 19.862 . 24.1 1.78 1.7270e-02 15091 1 1 1 1 113 LEU H 7.890 . 8.22 0.65 6.1167e-01 15091 1 1 1 1 113 LEU HA 4.211 . 4.32 0.47 8.1660e-01 15091 1 1 1 1 113 LEU HB2 3.148 A 1.63 0.34 8.0179e-06 15091 1 1 1 1 113 LEU HB3 3.148 A 1.57 0.36 1.1688e-05 15091 1 1 1 1 113 LEU HG 1.687 . 1.54 0.33 6.5599e-01 15091 1 1 1 1 113 LEU HD11 0.957 . 0.77 0.27 4.8857e-01 15091 1 1 1 1 113 LEU HD12 0.957 . 0.77 0.27 4.8857e-01 15091 1 1 1 1 113 LEU HD13 0.957 . 0.77 0.27 4.8857e-01 15091 1 1 1 1 113 LEU HD21 0.914 . 0.76 0.28 5.8232e-01 15091 1 1 1 1 113 LEU HD22 0.914 . 0.76 0.28 5.8232e-01 15091 1 1 1 1 113 LEU HD23 0.914 . 0.76 0.28 5.8232e-01 15091 1 1 1 1 113 LEU N 120.080 . 121.98 4.07 6.4062e-01 15091 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 1 113 LEU ALA 0.85 15091 1 1 1 1 113 LEU LEU 0.14 15091 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15091 _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.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 15091 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15091 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15091 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15091 _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_