data_AVS_bmrb_pdb_report_16260 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16260 _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 . . 16260 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 173.834 . 176.97 2.09 1.3349e-01 16260 1 1 1 1 94 LEU CA 52.966 . 55.65 2.21 2.2456e-01 16260 1 1 1 1 94 LEU CB 44.861 . 42.37 1.86 1.8049e-01 16260 1 1 1 1 94 LEU CG 27.480 . 26.77 1.25 5.7003e-01 16260 1 1 1 1 94 LEU CD1 28.282 . 24.73 1.71 3.7784e-02 16260 1 1 1 1 94 LEU CD2 29.121 A 24.1 1.78 4.7906e-03 16260 1 1 1 1 94 LEU H 9.675 . 8.22 0.65 2.5191e-02 16260 1 1 1 1 94 LEU HA 5.475 . 4.32 0.47 1.3993e-02 16260 1 1 1 1 94 LEU HB2 2.062 . 1.63 0.34 2.0387e-01 16260 1 1 1 1 94 LEU HB3 1.259 . 1.57 0.36 3.8765e-01 16260 1 1 1 1 94 LEU HG 1.848 . 1.54 0.33 3.5065e-01 16260 1 1 1 1 94 LEU HD11 1.007 . 0.77 0.27 3.8006e-01 16260 1 1 1 1 94 LEU HD12 1.007 . 0.77 0.27 3.8006e-01 16260 1 1 1 1 94 LEU HD13 1.007 . 0.77 0.27 3.8006e-01 16260 1 1 1 1 94 LEU HD21 0.940 . 0.76 0.28 5.2032e-01 16260 1 1 1 1 94 LEU HD22 0.940 . 0.76 0.28 5.2032e-01 16260 1 1 1 1 94 LEU HD23 0.940 . 0.76 0.28 5.2032e-01 16260 1 1 1 1 94 LEU N 128.492 . 121.98 4.07 1.0960e-01 16260 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 GLY 0.58 16260 1 1 1 1 94 LEU CYS 0.25 16260 1 1 1 1 94 LEU ARG 0.15 16260 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16260 _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 16260 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16260 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16260 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16260 _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_