data_AVS_bmrb_pdb_report_15625 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15625 _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 1 113 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15625 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 1 113 GLN CA 61.622 A 56.62 2.19 2.2370e-02 15625 1 1 1 1 113 GLN CB 28.917 . 29.1 1.97 9.2599e-01 15625 1 1 1 1 113 GLN CG 36.680 . 33.72 1.1 7.1258e-03 15625 1 1 1 1 113 GLN H 9.017 . 8.22 0.62 1.9862e-01 15625 1 1 1 1 113 GLN HA 3.855 . 4.28 0.44 3.3409e-01 15625 1 1 1 1 113 GLN HB2 2.570 . 2.05 0.28 6.3291e-02 15625 1 1 1 1 113 GLN HB3 2.139 . 2.04 0.29 7.3282e-01 15625 1 1 1 1 113 GLN HG2 2.131 . 2.32 0.29 5.1458e-01 15625 1 1 1 1 113 GLN HG3 2.742 . 2.32 0.29 1.4562e-01 15625 1 1 1 1 113 GLN HE21 7.259 . 7.17 0.46 8.4658e-01 15625 1 1 1 1 113 GLN HE22 7.302 . 7.07 0.49 6.3588e-01 15625 1 1 1 1 113 GLN N 126.983 . 119.92 4.01 7.8180e-02 15625 1 1 1 1 113 GLN NE2 114.204 . 111.81 2.2 2.7651e-01 15625 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 1 113 GLN ILE 0.51 15625 1 1 1 1 113 GLN CYS 0.29 15625 1 1 1 1 113 GLN GLU 0.15 15625 1 1 1 1 113 GLN LYS 0.02 15625 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15625 _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 15625 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15625 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15625 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15625 _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_