data_AVS_bmrb_pdb_report_15557 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15557 _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 1 124 LEU Anomalous Suspicious Consistent Suspicious Anomalous Consistent . . 15557 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 1 124 LEU C 177.8 . 176.97 2.09 6.9127e-01 15557 1 1 1 1 124 LEU CA 52.6 . 55.65 2.21 1.6756e-01 15557 1 1 1 1 124 LEU CB 43.2 . 42.37 1.86 6.5543e-01 15557 1 1 1 1 124 LEU CG 20.3 A 26.77 1.25 2.2669e-07 15557 1 1 1 1 124 LEU CD1 25.2 . 24.73 1.71 7.8343e-01 15557 1 1 1 1 124 LEU CD2 25.2 . 24.1 1.78 5.3659e-01 15557 1 1 1 1 124 LEU H 7.07 . 8.22 0.65 7.6855e-02 15557 1 1 1 1 124 LEU HA 4.15 . 4.32 0.47 7.1757e-01 15557 1 1 1 1 124 LEU HB2 1.50 . 1.63 0.34 7.0220e-01 15557 1 1 1 1 124 LEU HB3 1.15 . 1.57 0.36 2.4334e-01 15557 1 1 1 1 124 LEU HG -0.24 S 1.54 0.33 6.8929e-08 15557 1 1 1 1 124 LEU HD11 -0.67 S 0.77 0.27 9.6426e-08 15557 1 1 1 1 124 LEU HD12 -0.67 S 0.77 0.27 9.6426e-08 15557 1 1 1 1 124 LEU HD13 -0.67 S 0.77 0.27 9.6426e-08 15557 1 1 1 1 124 LEU HD21 -0.67 S 0.76 0.28 3.2707e-07 15557 1 1 1 1 124 LEU HD22 -0.67 S 0.76 0.28 3.2707e-07 15557 1 1 1 1 124 LEU HD23 -0.67 S 0.76 0.28 3.2707e-07 15557 1 1 1 1 124 LEU N 113.8 . 121.98 4.07 4.4449e-02 15557 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 1 124 LEU ALA 0.71 15557 1 1 1 1 124 LEU CYS 0.15 15557 1 1 1 1 124 LEU GLY 0.13 15557 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15557 _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 15557 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15557 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15557 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15557 _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_