data_AVS_bmrb_pdb_report_7025 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7025 _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 7025 1 1 1 1 76 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 7025 1 1 1 1 76 LEU C 175.858 . 176.97 2.09 5.9469e-01 7025 1 1 1 1 76 LEU CA 54.28 . 55.65 2.21 5.3532e-01 7025 1 1 1 1 76 LEU CB 43.507 . 42.37 1.86 5.4101e-01 7025 1 1 1 1 76 LEU CD1 21.821 . 24.73 1.71 8.8911e-02 7025 1 1 1 1 76 LEU CD2 28.874 M 24.1 1.78 7.3179e-03 7025 1 1 1 1 76 LEU H 9.383 . 8.22 0.65 7.3578e-02 7025 1 1 1 1 76 LEU HA 4.268 . 4.32 0.47 9.1190e-01 7025 1 1 1 1 76 LEU HB2 1.901 . 1.63 0.34 4.2542e-01 7025 1 1 1 1 76 LEU HG 1.428 . 1.54 0.33 7.3431e-01 7025 1 1 1 1 76 LEU HD1 0.073 . 0.77 0.27 9.8377e-03 7025 1 1 1 1 76 LEU HD2 0.398 . 0.76 0.28 1.9606e-01 7025 1 1 1 1 76 LEU N 130.042 . 121.98 4.07 4.7610e-02 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 7025 1 1 1 1 76 LEU CYS 0.47 7025 1 1 1 1 76 LEU ALA 0.24 7025 1 1 1 1 76 LEU GLY 0.19 7025 1 1 1 1 76 LEU LYS 0.04 7025 1 1 1 1 76 LEU LEU 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7025 _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 7025 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 7025 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7025 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7025 _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_