data_AVS_bmrb_pdb_report_16134 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16134 _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 51 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16134 1 1 1 1 63 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16134 1 1 1 1 101 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16134 1 1 1 1 106 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16134 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 51 ILE CA 65.830 . 61.59 2.78 1.2721e-01 16134 1 1 1 1 51 ILE CB 45.745 A 38.58 2.09 6.0753e-04 16134 1 1 1 1 51 ILE H 8.117 . 8.26 0.71 8.4038e-01 16134 1 1 1 1 51 ILE N 121.296 . 121.6 4.72 9.4865e-01 16134 1 1 1 1 63 GLU CA 60.400 . 57.42 2.19 1.7360e-01 16134 1 1 1 1 63 GLU CB 30.092 . 30.07 1.84 9.9046e-01 16134 1 1 1 1 63 GLU H 4.244 A 8.34 0.61 1.8838e-11 16134 1 1 1 1 63 GLU N 120.894 . 120.68 3.68 9.5363e-01 16134 1 1 1 1 101 LEU CA 57.479 . 55.65 2.21 4.0790e-01 16134 1 1 1 1 101 LEU CB 29.379 A 42.37 1.86 2.8606e-12 16134 1 1 1 1 101 LEU H 8.538 . 8.22 0.65 6.2468e-01 16134 1 1 1 1 101 LEU N 121.437 . 121.98 4.07 8.9387e-01 16134 1 1 1 1 106 LEU CA 58.871 . 55.65 2.21 1.4499e-01 16134 1 1 1 1 106 LEU CB 42.731 . 42.37 1.86 8.4611e-01 16134 1 1 1 1 106 LEU H 3.012 A 8.22 0.65 1.1258e-15 16134 1 1 1 1 106 LEU N 119.280 . 121.98 4.07 5.0708e-01 16134 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 51 ILE GLY 0.98 16134 1 1 1 1 51 ILE CYS 0.01 16134 1 1 1 1 63 GLU TRP 0.16 16134 1 1 1 1 63 GLU CYS 0.15 16134 1 1 1 1 63 GLU ILE 0.14 16134 1 1 1 1 63 GLU GLU 0.11 16134 1 1 1 1 63 GLU ARG 0.09 16134 1 1 1 1 63 GLU VAL 0.08 16134 1 1 1 1 63 GLU HIS 0.06 16134 1 1 1 1 63 GLU GLN 0.05 16134 1 1 1 1 63 GLU LYS 0.05 16134 1 1 1 1 63 GLU PRO 0.03 16134 1 1 1 1 63 GLU MET 0.02 16134 1 1 1 1 101 LEU TRP 0.14 16134 1 1 1 1 101 LEU GLU 0.14 16134 1 1 1 1 101 LEU GLN 0.13 16134 1 1 1 1 101 LEU LYS 0.13 16134 1 1 1 1 101 LEU HIS 0.13 16134 1 1 1 1 101 LEU CYS 0.11 16134 1 1 1 1 101 LEU ARG 0.11 16134 1 1 1 1 101 LEU ILE 0.03 16134 1 1 1 1 101 LEU MET 0.03 16134 1 1 1 1 106 LEU ARG 0.25 16134 1 1 1 1 106 LEU LYS 0.15 16134 1 1 1 1 106 LEU CYS 0.15 16134 1 1 1 1 106 LEU PHE 0.14 16134 1 1 1 1 106 LEU LEU 0.12 16134 1 1 1 1 106 LEU TYR 0.09 16134 1 1 1 1 106 LEU ILE 0.03 16134 1 1 1 1 106 LEU GLY 0.02 16134 1 1 1 1 106 LEU ASP 0.02 16134 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16134 _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 16134 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16134 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16134 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16134 _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_