data_AVS_bmrb_pdb_report_4740 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4740 _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 4740 1 1 1 1 4 ILE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 4740 1 1 1 1 50 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 4740 1 1 1 1 54 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 4740 1 1 1 1 4 ILE CA 60.2 . 61.59 2.78 6.1707e-01 4740 1 1 1 1 4 ILE CB 39.6 . 38.58 2.09 6.2552e-01 4740 1 1 1 1 4 ILE CG2 25.4 M 17.36 1.6 5.0343e-07 4740 1 1 1 1 4 ILE CD1 19.4 . 13.41 1.91 1.7120e-03 4740 1 1 1 1 4 ILE H 8.18 . 8.26 0.71 9.1029e-01 4740 1 1 1 1 4 ILE HA 5.08 . 4.2 0.56 1.1608e-01 4740 1 1 1 1 4 ILE HB 1.47 . 1.8 0.31 2.8709e-01 4740 1 1 1 1 4 ILE HG2 0.71 . 0.8 0.29 7.5630e-01 4740 1 1 1 1 4 ILE HD1 0.68 . 0.7 0.3 9.4685e-01 4740 1 1 1 1 4 ILE N 122.9 . 121.6 4.72 7.8299e-01 4740 1 1 1 1 50 LEU CA 58.1 . 55.65 2.21 2.6760e-01 4740 1 1 1 1 50 LEU CB 41.6 . 42.37 1.86 6.7889e-01 4740 1 1 1 1 50 LEU CD1 30.1 M 24.73 1.71 1.6875e-03 4740 1 1 1 1 50 LEU CD2 28.4 . 24.1 1.78 1.5704e-02 4740 1 1 1 1 50 LEU H 7.86 . 8.22 0.65 5.7968e-01 4740 1 1 1 1 50 LEU HA 4.02 . 4.32 0.47 5.2328e-01 4740 1 1 1 1 50 LEU HB2 1.79 . 1.63 0.34 6.3793e-01 4740 1 1 1 1 50 LEU HB3 1.36 . 1.57 0.36 5.5967e-01 4740 1 1 1 1 50 LEU HD1 0.81 . 0.77 0.27 8.8223e-01 4740 1 1 1 1 50 LEU N 122.0 . 121.98 4.07 9.9608e-01 4740 1 1 1 1 54 LEU CA 56.8 . 55.65 2.21 6.0281e-01 4740 1 1 1 1 54 LEU CB 41.4 . 42.37 1.86 6.0201e-01 4740 1 1 1 1 54 LEU CD1 28.7 . 24.73 1.71 2.0252e-02 4740 1 1 1 1 54 LEU CD2 29.8 M 24.1 1.78 1.3636e-03 4740 1 1 1 1 54 LEU H 7.97 . 8.22 0.65 7.0052e-01 4740 1 1 1 1 54 LEU HA 3.92 . 4.32 0.47 3.9473e-01 4740 1 1 1 1 54 LEU HB2 1.45 . 1.63 0.34 5.9652e-01 4740 1 1 1 1 54 LEU HB3 1.31 . 1.57 0.36 4.7016e-01 4740 1 1 1 1 54 LEU HG 1.18 . 1.54 0.33 2.7531e-01 4740 1 1 1 1 54 LEU HD1 0.52 . 0.77 0.27 3.5448e-01 4740 1 1 1 1 54 LEU HD2 0.46 . 0.76 0.28 2.8398e-01 4740 1 1 1 1 54 LEU N 121.1 . 121.98 4.07 8.2882e-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 4740 1 1 1 1 4 ILE CYS 0.97 4740 1 1 1 1 4 ILE LEU 0.01 4740 1 1 1 1 50 LEU CYS 0.39 4740 1 1 1 1 50 LEU LYS 0.3 4740 1 1 1 1 50 LEU ARG 0.29 4740 1 1 1 1 54 LEU CYS 0.41 4740 1 1 1 1 54 LEU LYS 0.31 4740 1 1 1 1 54 LEU ARG 0.26 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4740 _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 4740 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 4740 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4740 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4740 _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_