data_AVS_bmrb_pdb_report_11083 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11083 _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 94 LEU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11083 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 94 LEU C 173.681 . 176.97 2.09 1.1556e-01 11083 1 1 1 1 94 LEU CA 51.493 . 55.65 2.21 5.9973e-02 11083 1 1 1 1 94 LEU CB 41.572 . 42.37 1.86 6.6790e-01 11083 1 1 1 1 94 LEU CG 26.625 . 26.77 1.25 9.0765e-01 11083 1 1 1 1 94 LEU CD1 29.805 A 24.73 1.71 2.9990e-03 11083 1 1 1 1 94 LEU CD2 25.868 . 24.1 1.78 3.2058e-01 11083 1 1 1 1 94 LEU H 7.647 . 8.22 0.65 3.7803e-01 11083 1 1 1 1 94 LEU HA 5.004 . 4.32 0.47 1.4558e-01 11083 1 1 1 1 94 LEU HB2 1.334 . 1.63 0.34 3.8398e-01 11083 1 1 1 1 94 LEU HB3 2.172 . 1.57 0.36 9.4481e-02 11083 1 1 1 1 94 LEU HG 1.701 . 1.54 0.33 6.2564e-01 11083 1 1 1 1 94 LEU HD11 0.939 . 0.77 0.27 5.3136e-01 11083 1 1 1 1 94 LEU HD12 0.939 . 0.77 0.27 5.3136e-01 11083 1 1 1 1 94 LEU HD13 0.939 . 0.77 0.27 5.3136e-01 11083 1 1 1 1 94 LEU HD21 1.027 . 0.76 0.28 3.4030e-01 11083 1 1 1 1 94 LEU HD22 1.027 . 0.76 0.28 3.4030e-01 11083 1 1 1 1 94 LEU HD23 1.027 . 0.76 0.28 3.4030e-01 11083 1 1 1 1 94 LEU N 116.294 . 121.98 4.07 1.6240e-01 11083 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 94 LEU CYS 0.48 11083 1 1 1 1 94 LEU ARG 0.3 11083 1 1 1 1 94 LEU LYS 0.12 11083 1 1 1 1 94 LEU LEU 0.05 11083 1 1 1 1 94 LEU GLY 0.02 11083 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11083 _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 11083 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11083 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11083 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11083 _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_