data_AVS_bmrb_pdb_report_7024 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7024 _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 7024 1 1 1 1 20 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7024 1 1 1 1 75 ASP 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 7024 1 1 1 1 20 LEU CA 52.507 . 55.65 2.21 1.5498e-01 7024 1 1 1 1 20 LEU CB 43.742 . 42.37 1.86 4.6074e-01 7024 1 1 1 1 20 LEU CG 26.829 . 26.77 1.25 9.6235e-01 7024 1 1 1 1 20 LEU CD1 25.506 . 24.73 1.71 6.4997e-01 7024 1 1 1 1 20 LEU CD2 25.805 . 24.1 1.78 3.3813e-01 7024 1 1 1 1 20 LEU H 5.049 M 8.22 0.65 1.0692e-06 7024 1 1 1 1 20 LEU HA 4.304 . 4.32 0.47 9.7284e-01 7024 1 1 1 1 20 LEU HB2 1.408 . 1.63 0.34 5.1379e-01 7024 1 1 1 1 20 LEU HB3 1.408 . 1.57 0.36 6.5271e-01 7024 1 1 1 1 20 LEU HG 1.686 . 1.54 0.33 6.5818e-01 7024 1 1 1 1 20 LEU HD1 1.051 . 0.77 0.27 2.9800e-01 7024 1 1 1 1 20 LEU HD2 0.939 . 0.76 0.28 5.2264e-01 7024 1 1 1 1 20 LEU N 129.067 . 121.98 4.07 8.1635e-02 7024 1 1 1 1 75 ASP CA 61.182 M 54.52 2.1 1.5119e-03 7024 1 1 1 1 75 ASP CB 40.318 . 40.7 1.67 8.1907e-01 7024 1 1 1 1 75 ASP H 8.3659 . 8.33 0.57 9.4978e-01 7024 1 1 1 1 75 ASP N 124.9996 . 120.73 4.2 3.0936e-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 7024 1 1 1 1 20 LEU LEU 0.53 7024 1 1 1 1 20 LEU GLY 0.23 7024 1 1 1 1 20 LEU CYS 0.17 7024 1 1 1 1 20 LEU ARG 0.04 7024 1 1 1 1 75 ASP ILE 0.32 7024 1 1 1 1 75 ASP PHE 0.25 7024 1 1 1 1 75 ASP TYR 0.19 7024 1 1 1 1 75 ASP CYS 0.16 7024 1 1 1 1 75 ASP LYS 0.02 7024 1 1 1 1 75 ASP LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7024 _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 7024 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 7024 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7024 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7024 _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_