data_AVS_bmrb_pdb_report_15902 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15902 _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 59 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15902 1 1 1 1 60 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15902 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 59 GLN C 174.1 . 176.39 1.96 2.4266e-01 15902 1 1 1 1 59 GLN CA 57.1 . 56.62 2.19 8.2651e-01 15902 1 1 1 1 59 GLN CB 28.9 . 29.1 1.97 9.1914e-01 15902 1 1 1 1 59 GLN CG 33.4 . 33.72 1.1 7.7112e-01 15902 1 1 1 1 59 GLN CD 179.4 . 179.68 1.17 8.1086e-01 15902 1 1 1 1 59 GLN H 8.39 . 8.22 0.62 7.8394e-01 15902 1 1 1 1 59 GLN HA 1.83 A 4.28 0.44 2.5741e-08 15902 1 1 1 1 59 GLN HB2 1.57 . 2.05 0.28 8.6476e-02 15902 1 1 1 1 59 GLN HB3 1.57 . 2.04 0.29 1.0508e-01 15902 1 1 1 1 59 GLN HG2 1.79 . 2.32 0.29 6.7612e-02 15902 1 1 1 1 59 GLN HG3 1.79 . 2.32 0.29 6.7612e-02 15902 1 1 1 1 59 GLN HE21 7.47 . 7.17 0.46 5.1429e-01 15902 1 1 1 1 59 GLN HE22 6.81 . 7.07 0.49 5.9569e-01 15902 1 1 1 1 59 GLN N 124.0 . 119.92 4.01 3.0894e-01 15902 1 1 1 1 59 GLN NE2 111.5 . 111.81 2.2 8.8794e-01 15902 1 1 1 1 60 LEU CA 52.8 . 55.65 2.21 1.9719e-01 15902 1 1 1 1 60 LEU CB 46.7 . 42.37 1.86 1.9914e-02 15902 1 1 1 1 60 LEU CG 26.3 . 26.77 1.25 7.0692e-01 15902 1 1 1 1 60 LEU CD1 26.7 . 24.73 1.71 2.4930e-01 15902 1 1 1 1 60 LEU CD2 23.0 . 24.1 1.78 5.3659e-01 15902 1 1 1 1 60 LEU H 5.32 A 8.22 0.65 8.1373e-06 15902 1 1 1 1 60 LEU HA 4.37 . 4.32 0.47 9.1528e-01 15902 1 1 1 1 60 LEU HB2 1.17 . 1.63 0.34 1.7607e-01 15902 1 1 1 1 60 LEU HB3 1.25 . 1.57 0.36 3.7406e-01 15902 1 1 1 1 60 LEU HG 1.51 . 1.54 0.33 9.2757e-01 15902 1 1 1 1 60 LEU HD11 0.63 . 0.77 0.27 6.0410e-01 15902 1 1 1 1 60 LEU HD12 0.63 . 0.77 0.27 6.0410e-01 15902 1 1 1 1 60 LEU HD13 0.63 . 0.77 0.27 6.0410e-01 15902 1 1 1 1 60 LEU HD21 0.80 . 0.76 0.28 8.8640e-01 15902 1 1 1 1 60 LEU HD22 0.80 . 0.76 0.28 8.8640e-01 15902 1 1 1 1 60 LEU HD23 0.80 . 0.76 0.28 8.8640e-01 15902 1 1 1 1 60 LEU N 121.8 . 121.98 4.07 9.6472e-01 15902 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 59 GLN GLN 0.79 15902 1 1 1 1 59 GLN GLU 0.2 15902 1 1 1 1 60 LEU GLY 0.62 15902 1 1 1 1 60 LEU LEU 0.21 15902 1 1 1 1 60 LEU ALA 0.15 15902 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15902 _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 15902 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15902 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15902 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15902 _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_