data_AVS_bmrb_pdb_report_16983 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16983 _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 26 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16983 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 16983 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 26 GLN C 175.212 . 176.39 1.96 5.4783e-01 16983 1 1 1 1 26 GLN CA 53.792 . 56.62 2.19 1.9659e-01 16983 1 1 1 1 26 GLN CB 28.786 . 29.1 1.97 8.7336e-01 16983 1 1 1 1 26 GLN CG 32.880 . 33.72 1.1 4.4508e-01 16983 1 1 1 1 26 GLN H 8.223 . 8.22 0.62 9.9614e-01 16983 1 1 1 1 26 GLN HA 4.220 . 4.28 0.44 8.9153e-01 16983 1 1 1 1 26 GLN HB2 1.162 . 2.05 0.28 1.5169e-03 16983 1 1 1 1 26 GLN HB3 -0.560 A 2.04 0.29 3.0883e-19 16983 1 1 1 1 26 GLN HG2 1.377 . 2.32 0.29 1.1471e-03 16983 1 1 1 1 26 GLN HG3 0.617 S 2.32 0.29 4.2950e-09 16983 1 1 1 1 26 GLN HE21 6.940 . 7.17 0.46 6.1707e-01 16983 1 1 1 1 26 GLN HE22 6.460 . 7.07 0.49 2.1317e-01 16983 1 1 1 1 26 GLN N 123.224 . 119.92 4.01 4.0997e-01 16983 1 1 1 1 26 GLN NE2 110.026 . 111.81 2.2 4.1742e-01 16983 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 26 GLN LYS 0.27 16983 1 1 1 1 26 GLN CYS 0.25 16983 1 1 1 1 26 GLN GLN 0.23 16983 1 1 1 1 26 GLN ARG 0.11 16983 1 1 1 1 26 GLN MET 0.08 16983 1 1 1 1 26 GLN GLU 0.02 16983 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16983 _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 16983 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16983 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16983 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16983 _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_