data_AVS_bmrb_pdb_report_4995 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4995 _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 4995 1 1 1 1 7 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 4995 1 1 1 1 17 LEU 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 4995 1 1 1 1 7 LEU C 178.5 . 176.97 2.09 4.6413e-01 4995 1 1 1 1 7 LEU CA 57.1 . 55.65 2.21 5.1175e-01 4995 1 1 1 1 7 LEU CB 41.6 . 42.37 1.86 6.7889e-01 4995 1 1 1 1 7 LEU CD1 23.7 . 24.73 1.71 5.4695e-01 4995 1 1 1 1 7 LEU CD2 30.4 M 24.1 1.78 4.0115e-04 4995 1 1 1 1 7 LEU H 8.44 . 8.22 0.65 7.3502e-01 4995 1 1 1 1 7 LEU HA 4.21 . 4.32 0.47 8.1495e-01 4995 1 1 1 1 7 LEU HB2 1.72 . 1.63 0.34 7.9124e-01 4995 1 1 1 1 7 LEU HB3 1.72 . 1.57 0.36 6.7692e-01 4995 1 1 1 1 7 LEU HG 1.63 . 1.54 0.33 7.8506e-01 4995 1 1 1 1 7 LEU HD1 0.95 . 0.77 0.27 5.0499e-01 4995 1 1 1 1 7 LEU HD2 0.95 . 0.76 0.28 4.9741e-01 4995 1 1 1 1 7 LEU N 123.9 . 121.98 4.07 6.3711e-01 4995 1 1 1 1 17 LEU C 179.6 . 176.97 2.09 2.0826e-01 4995 1 1 1 1 17 LEU CA 57.7 . 55.65 2.21 3.5361e-01 4995 1 1 1 1 17 LEU CB 43.2 . 42.37 1.86 6.5543e-01 4995 1 1 1 1 17 LEU CG 27.4 . 26.77 1.25 6.1426e-01 4995 1 1 1 1 17 LEU CD1 27.4 . 24.73 1.71 1.1843e-01 4995 1 1 1 1 17 LEU CD2 30.4 M 24.1 1.78 4.0115e-04 4995 1 1 1 1 17 LEU H 8.4 . 8.22 0.65 7.8184e-01 4995 1 1 1 1 17 LEU HA 4.15 . 4.32 0.47 7.1757e-01 4995 1 1 1 1 17 LEU HB2 1.34 . 1.63 0.34 3.9369e-01 4995 1 1 1 1 17 LEU HB3 2.13 . 1.57 0.36 1.1981e-01 4995 1 1 1 1 17 LEU HG 1.87 . 1.54 0.33 3.1731e-01 4995 1 1 1 1 17 LEU HD1 0.99 . 0.77 0.27 4.1518e-01 4995 1 1 1 1 17 LEU HD2 0.92 . 0.76 0.28 5.6771e-01 4995 1 1 1 1 17 LEU N 122.9 . 121.98 4.07 8.2117e-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 4995 1 1 1 1 7 LEU LYS 0.79 4995 1 1 1 1 7 LEU ARG 0.17 4995 1 1 1 1 7 LEU LEU 0.01 4995 1 1 1 1 17 LEU ARG 0.78 4995 1 1 1 1 17 LEU GLY 0.1 4995 1 1 1 1 17 LEU LYS 0.1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4995 _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 4995 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 4995 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4995 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4995 _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_