data_AVS_bmrb_pdb_report_15208 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15208 _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 15208 1 1 1 1 89 LEU Anomalous Consistent Consistent Anomalous Consistent 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 15208 1 1 1 1 89 LEU C 176.504 . 176.97 2.09 8.2356e-01 15208 1 1 1 1 89 LEU CA 59.056 . 55.65 2.21 1.2327e-01 15208 1 1 1 1 89 LEU CB 42.634 . 42.37 1.86 8.8713e-01 15208 1 1 1 1 89 LEU CG 26.747 . 26.77 1.25 9.8532e-01 15208 1 1 1 1 89 LEU CD1 26.353 . 24.73 1.71 3.4256e-01 15208 1 1 1 1 89 LEU CD2 25.749 . 24.1 1.78 3.5424e-01 15208 1 1 1 1 89 LEU H 9.601 . 8.22 0.65 3.3619e-02 15208 1 1 1 1 89 LEU HA 2.246 M 4.32 0.47 1.0206e-05 15208 1 1 1 1 89 LEU HB2 1.443 . 1.63 0.34 5.8232e-01 15208 1 1 1 1 89 LEU HB3 1.443 . 1.57 0.36 7.2425e-01 15208 1 1 1 1 89 LEU HG 1.312 . 1.54 0.33 4.8962e-01 15208 1 1 1 1 89 LEU HD1 0.817 . 0.77 0.27 8.6181e-01 15208 1 1 1 1 89 LEU HD2 0.783 . 0.76 0.28 9.3453e-01 15208 1 1 1 1 89 LEU N 135.067 . 121.98 4.07 1.3023e-03 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 15208 1 1 1 1 89 LEU LEU 0.41 15208 1 1 1 1 89 LEU CYS 0.38 15208 1 1 1 1 89 LEU ARG 0.14 15208 1 1 1 1 89 LEU GLY 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15208 _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 15208 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 15208 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15208 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15208 _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_