data_AVS_bmrb_pdb_report_15350 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15350 _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 7 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15350 1 1 1 1 60 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15350 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 7 VAL CA 69.820 A 62.48 3.04 1.5758e-02 15350 1 1 1 1 7 VAL CB 29.440 . 32.66 1.91 9.1822e-02 15350 1 1 1 1 7 VAL CG1 21.220 . 21.38 1.53 9.1671e-01 15350 1 1 1 1 7 VAL CG2 23.240 . 21.31 1.76 2.7282e-01 15350 1 1 1 1 7 VAL H 9.200 . 8.29 0.71 1.9995e-01 15350 1 1 1 1 7 VAL HA 4.070 . 4.16 0.57 8.7454e-01 15350 1 1 1 1 7 VAL HB 2.320 . 1.99 0.33 3.1731e-01 15350 1 1 1 1 7 VAL HG11 0.990 . 0.84 0.27 5.7851e-01 15350 1 1 1 1 7 VAL HG12 0.990 . 0.84 0.27 5.7851e-01 15350 1 1 1 1 7 VAL HG13 0.990 . 0.84 0.27 5.7851e-01 15350 1 1 1 1 7 VAL HG21 1.220 . 0.83 0.29 1.7868e-01 15350 1 1 1 1 7 VAL HG22 1.220 . 0.83 0.29 1.7868e-01 15350 1 1 1 1 7 VAL HG23 1.220 . 0.83 0.29 1.7868e-01 15350 1 1 1 1 7 VAL N 119.920 . 121.02 4.96 8.2449e-01 15350 1 1 1 1 60 ASP CA 59.290 . 54.52 2.1 2.3121e-02 15350 1 1 1 1 60 ASP CB 42.470 . 40.7 1.67 2.8920e-01 15350 1 1 1 1 60 ASP H 8.490 . 8.33 0.57 7.7894e-01 15350 1 1 1 1 60 ASP HA 3.530 S 4.61 0.31 4.9422e-04 15350 1 1 1 1 60 ASP HB2 1.180 A 2.74 0.29 7.4772e-08 15350 1 1 1 1 60 ASP HB3 2.320 . 2.7 0.29 1.9008e-01 15350 1 1 1 1 60 ASP N 120.620 . 120.73 4.2 9.7911e-01 15350 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 7 VAL VAL 0.99 15350 1 1 1 1 60 ASP ARG 0.24 15350 1 1 1 1 60 ASP PHE 0.2 15350 1 1 1 1 60 ASP LYS 0.19 15350 1 1 1 1 60 ASP TYR 0.13 15350 1 1 1 1 60 ASP LEU 0.11 15350 1 1 1 1 60 ASP ILE 0.05 15350 1 1 1 1 60 ASP GLY 0.02 15350 1 1 1 1 60 ASP ASP 0.01 15350 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15350 _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 15350 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15350 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15350 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15350 _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_