data_AVS_bmrb_pdb_report_15411 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15411 _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 15411 1 1 1 1 66 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 15411 1 1 1 1 66 LEU C 177.867 . 176.97 2.09 6.6779e-01 15411 1 1 1 1 66 LEU CA 58.608 . 55.65 2.21 1.8075e-01 15411 1 1 1 1 66 LEU CB 42.587 . 42.37 1.86 9.0712e-01 15411 1 1 1 1 66 LEU CG 26.708 . 26.77 1.25 9.6044e-01 15411 1 1 1 1 66 LEU CD1 25.227 . 24.73 1.71 7.7132e-01 15411 1 1 1 1 66 LEU CD2 28.922 M 24.1 1.78 6.7489e-03 15411 1 1 1 1 66 LEU H 8.395 . 8.22 0.65 7.8775e-01 15411 1 1 1 1 66 LEU HA 3.992 . 4.32 0.47 4.8526e-01 15411 1 1 1 1 66 LEU HB2 2.371 . 1.63 0.34 2.9301e-02 15411 1 1 1 1 66 LEU HB3 1.660 . 1.57 0.36 8.0259e-01 15411 1 1 1 1 66 LEU HG 1.636 . 1.54 0.33 7.7112e-01 15411 1 1 1 1 66 LEU HD1 1.015 . 0.77 0.27 3.6419e-01 15411 1 1 1 1 66 LEU HD2 1.142 . 0.76 0.28 1.7248e-01 15411 1 1 1 1 66 LEU N 120.493 . 121.98 4.07 7.1485e-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 15411 1 1 1 1 66 LEU ARG 0.43 15411 1 1 1 1 66 LEU CYS 0.39 15411 1 1 1 1 66 LEU LYS 0.09 15411 1 1 1 1 66 LEU LEU 0.05 15411 1 1 1 1 66 LEU GLY 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15411 _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 15411 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 15411 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15411 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15411 _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_