data_AVS_bmrb_pdb_report_15063 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15063 _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 56 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15063 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 56 GLN C 174.199 . 176.31 1.95 2.7900e-01 15063 1 1 1 1 56 GLN CA 54.566 . 56.57 2.14 3.4904e-01 15063 1 1 1 1 56 GLN CB 29.643 . 29.19 1.82 8.0344e-01 15063 1 1 1 1 56 GLN CG 33.638 . 33.76 1.11 9.1248e-01 15063 1 1 1 1 56 GLN H 9.092 . 8.22 0.59 1.3942e-01 15063 1 1 1 1 56 GLN HA 3.991 . 4.27 0.44 5.2602e-01 15063 1 1 1 1 56 GLN HB2 -0.134 A 2.05 0.25 2.4151e-18 15063 1 1 1 1 56 GLN HB3 1.492 . 2.02 0.28 5.9334e-02 15063 1 1 1 1 56 GLN HG2 0.805 S 2.32 0.27 2.0103e-08 15063 1 1 1 1 56 GLN HG3 1.160 S 2.29 0.29 9.7572e-05 15063 1 1 1 1 56 GLN HE21 6.472 . 7.24 0.45 8.7884e-02 15063 1 1 1 1 56 GLN HE22 6.610 . 7.02 0.44 3.5143e-01 15063 1 1 1 1 56 GLN N 124.355 . 119.89 3.6 2.1487e-01 15063 1 1 1 1 56 GLN NE2 109.752 . 111.87 1.72 2.1817e-01 15063 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 56 GLN GLN 0.34 15063 1 1 1 1 56 GLN LYS 0.26 15063 1 1 1 1 56 GLN CYS 0.22 15063 1 1 1 1 56 GLN MET 0.1 15063 1 1 1 1 56 GLN GLU 0.04 15063 1 1 1 1 56 GLN ARG 0.02 15063 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15063 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 15063 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15063 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15063 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15063 _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_