data_AVS_bmrb_pdb_report_17754 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17754 _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 37 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17754 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 37 GLN C 174.3 . 176.39 1.96 2.8628e-01 17754 1 1 1 1 37 GLN CA 53.9 . 56.62 2.19 2.1423e-01 17754 1 1 1 1 37 GLN CB 30.4 . 29.1 1.97 5.0932e-01 17754 1 1 1 1 37 GLN CG 33.0 . 33.72 1.1 5.1276e-01 17754 1 1 1 1 37 GLN H 8.76 . 8.22 0.62 3.8377e-01 17754 1 1 1 1 37 GLN HA 3.30 . 4.28 0.44 2.5929e-02 17754 1 1 1 1 37 GLN HB2 -0.34 A 2.05 0.28 1.3929e-17 17754 1 1 1 1 37 GLN HB3 0.63 S 2.04 0.29 1.1617e-06 17754 1 1 1 1 37 GLN HG2 2.20 . 2.32 0.29 6.7903e-01 17754 1 1 1 1 37 GLN HG3 1.02 S 2.32 0.29 7.3684e-06 17754 1 1 1 1 37 GLN HE21 6.96 . 7.17 0.46 6.4801e-01 17754 1 1 1 1 37 GLN HE22 6.96 . 7.07 0.49 8.2238e-01 17754 1 1 1 1 37 GLN N 129.9 . 119.92 4.01 1.2818e-02 17754 1 1 1 1 37 GLN NE2 107.8 . 111.81 2.2 6.8345e-02 17754 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 37 GLN MET 0.33 17754 1 1 1 1 37 GLN GLN 0.31 17754 1 1 1 1 37 GLN LYS 0.24 17754 1 1 1 1 37 GLN GLU 0.05 17754 1 1 1 1 37 GLN ARG 0.04 17754 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17754 _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 17754 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17754 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17754 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17754 _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_