data_AVS_bmrb_pdb_report_11390 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11390 _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 60 GLN Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 11390 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 60 GLN CA 58.995 . 56.62 2.19 2.7815e-01 11390 1 1 1 1 60 GLN CB 25.265 . 29.1 1.97 5.1571e-02 11390 1 1 1 1 60 GLN CG 34.762 . 33.72 1.1 3.4350e-01 11390 1 1 1 1 60 GLN H 7.355 . 8.22 0.62 1.6297e-01 11390 1 1 1 1 60 GLN HA 3.180 . 4.28 0.44 1.2419e-02 11390 1 1 1 1 60 GLN HB2 1.621 . 2.05 0.28 1.2549e-01 11390 1 1 1 1 60 GLN HB3 0.326 S 2.04 0.29 3.4139e-09 11390 1 1 1 1 60 GLN HG2 2.054 . 2.32 0.29 3.5902e-01 11390 1 1 1 1 60 GLN HG3 3.038 . 2.32 0.29 1.3291e-02 11390 1 1 1 1 60 GLN HE21 6.785 . 7.17 0.46 4.0262e-01 11390 1 1 1 1 60 GLN HE22 7.819 . 7.07 0.49 1.2637e-01 11390 1 1 1 1 60 GLN N 119.235 . 119.92 4.01 8.6436e-01 11390 1 1 1 1 60 GLN NE2 123.970 A 111.81 2.2 3.2525e-08 11390 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 60 GLN LYS 0.53 11390 1 1 1 1 60 GLN ILE 0.14 11390 1 1 1 1 60 GLN GLN 0.11 11390 1 1 1 1 60 GLN VAL 0.05 11390 1 1 1 1 60 GLN ARG 0.05 11390 1 1 1 1 60 GLN MET 0.04 11390 1 1 1 1 60 GLN GLU 0.04 11390 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11390 _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 11390 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11390 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11390 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11390 _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_