data_AVS_bmrb_pdb_report_4165 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4165 _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 44 LEU Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 4165 1 1 1 2 1 DG UNSUPPORTED . . . . . . . 4165 1 1 1 2 2 DA UNSUPPORTED . . . . . . . 4165 1 1 1 2 3 DG UNSUPPORTED . . . . . . . 4165 1 1 1 2 4 DT UNSUPPORTED . . . . . . . 4165 1 1 1 2 5 DA UNSUPPORTED . . . . . . . 4165 1 1 1 2 6 DG UNSUPPORTED . . . . . . . 4165 1 1 1 2 7 DT UNSUPPORTED . . . . . . . 4165 1 1 1 2 8 DA UNSUPPORTED . . . . . . . 4165 1 1 1 2 9 DA UNSUPPORTED . . . . . . . 4165 1 1 1 2 10 DA UNSUPPORTED . . . . . . . 4165 1 1 1 2 11 DT UNSUPPORTED . . . . . . . 4165 1 1 1 2 12 DT UNSUPPORTED . . . . . . . 4165 1 1 1 2 13 DC UNSUPPORTED . . . . . . . 4165 1 1 1 3 1 DG UNSUPPORTED . . . . . . . 4165 1 1 1 3 2 DA UNSUPPORTED . . . . . . . 4165 1 1 1 3 3 DA UNSUPPORTED . . . . . . . 4165 1 1 1 3 4 DT UNSUPPORTED . . . . . . . 4165 1 1 1 3 5 DT UNSUPPORTED . . . . . . . 4165 1 1 1 3 6 DT UNSUPPORTED . . . . . . . 4165 1 1 1 3 7 DA UNSUPPORTED . . . . . . . 4165 1 1 1 3 8 DC UNSUPPORTED . . . . . . . 4165 1 1 1 3 9 DT UNSUPPORTED . . . . . . . 4165 1 1 1 3 10 DA UNSUPPORTED . . . . . . . 4165 1 1 1 3 11 DC UNSUPPORTED . . . . . . . 4165 1 1 1 3 12 DT UNSUPPORTED . . . . . . . 4165 1 1 1 3 13 DC UNSUPPORTED . . . . . . . 4165 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 44 LEU CA 57.31 . 55.65 2.21 4.5257e-01 4165 1 1 1 1 44 LEU CB 42.93 . 42.37 1.86 7.6336e-01 4165 1 1 1 1 44 LEU CG 26.94 . 26.77 1.25 8.9182e-01 4165 1 1 1 1 44 LEU CD1 24.64 . 24.73 1.71 9.5803e-01 4165 1 1 1 1 44 LEU CD2 21.85 . 24.1 1.78 2.0621e-01 4165 1 1 1 1 44 LEU H 9.70 . 8.22 0.65 2.2791e-02 4165 1 1 1 1 44 LEU HA 3.90 . 4.32 0.47 3.7153e-01 4165 1 1 1 1 44 LEU HB2 -0.06 S 1.63 0.34 6.6750e-07 4165 1 1 1 1 44 LEU HB3 1.58 . 1.57 0.36 9.7784e-01 4165 1 1 1 1 44 LEU HG 1.12 . 1.54 0.33 2.0311e-01 4165 1 1 1 1 44 LEU HD11 0.57 . 0.77 0.27 4.5885e-01 4165 1 1 1 1 44 LEU HD12 0.57 . 0.77 0.27 4.5885e-01 4165 1 1 1 1 44 LEU HD13 0.57 . 0.77 0.27 4.5885e-01 4165 1 1 1 1 44 LEU HD21 0.49 . 0.76 0.28 3.3490e-01 4165 1 1 1 1 44 LEU HD22 0.49 . 0.76 0.28 3.3490e-01 4165 1 1 1 1 44 LEU HD23 0.49 . 0.76 0.28 3.3490e-01 4165 1 1 1 1 44 LEU N 105.49 A 121.98 4.07 5.0869e-05 4165 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 44 LEU LEU 0.49 4165 1 1 1 1 44 LEU CYS 0.34 4165 1 1 1 1 44 LEU ARG 0.08 4165 1 1 1 1 44 LEU GLY 0.05 4165 1 1 1 1 44 LEU ALA 0.02 4165 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4165 _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 4165 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4165 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4165 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4165 _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_