data_AVS_bmrb_pdb_report_15956 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15956 _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 85 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15956 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 85 GLN C 169.48 A 176.39 1.96 4.2267e-04 15956 1 1 1 1 85 GLN CA 53.11 . 56.62 2.19 1.0899e-01 15956 1 1 1 1 85 GLN CB 30.00 . 29.1 1.97 6.4778e-01 15956 1 1 1 1 85 GLN CG 33.85 . 33.72 1.1 9.0592e-01 15956 1 1 1 1 85 GLN H 8.78 . 8.22 0.62 3.6641e-01 15956 1 1 1 1 85 GLN HA 4.57 . 4.28 0.44 5.0984e-01 15956 1 1 1 1 85 GLN HB2 1.92 . 2.05 0.28 6.4244e-01 15956 1 1 1 1 85 GLN HB3 1.78 . 2.04 0.29 3.6996e-01 15956 1 1 1 1 85 GLN HG2 2.14 . 2.32 0.29 5.3480e-01 15956 1 1 1 1 85 GLN HG3 2.14 . 2.32 0.29 5.3480e-01 15956 1 1 1 1 85 GLN HE21 6.65 . 7.17 0.46 2.5829e-01 15956 1 1 1 1 85 GLN HE22 7.37 . 7.07 0.49 5.4038e-01 15956 1 1 1 1 85 GLN N 122.79 . 119.92 4.01 4.7417e-01 15956 1 1 1 1 85 GLN NE2 111.30 . 111.81 2.2 8.1668e-01 15956 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 85 GLN CYS 0.28 15956 1 1 1 1 85 GLN GLN 0.26 15956 1 1 1 1 85 GLN LYS 0.17 15956 1 1 1 1 85 GLN MET 0.17 15956 1 1 1 1 85 GLN GLU 0.07 15956 1 1 1 1 85 GLN ARG 0.02 15956 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15956 _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 15956 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15956 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15956 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15956 _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_