data_AVS_bmrb_pdb_report_11323 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11323 _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 43 GLN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB3" 0.9992 11323 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 11323 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 43 GLN C 179.048 . 176.39 1.96 1.7506e-01 11323 1 1 1 1 43 GLN CA 58.934 . 56.62 2.19 2.9068e-01 11323 1 1 1 1 43 GLN CB 28.262 . 29.1 1.97 6.7056e-01 11323 1 1 1 1 43 GLN CG 33.400 . 33.72 1.1 7.7112e-01 11323 1 1 1 1 43 GLN H 6.942 . 8.22 0.62 3.9275e-02 11323 1 1 1 1 43 GLN HA 2.162 A 4.28 0.44 1.4821e-06 11323 1 1 1 1 43 GLN HB2 1.308 . 2.05 0.28 8.0492e-03 11323 1 1 1 1 43 GLN HB3 2.172 . 2.04 0.29 6.4898e-01 11323 1 1 1 1 43 GLN HG2 1.908 . 2.32 0.29 1.5541e-01 11323 1 1 1 1 43 GLN HG3 2.032 . 2.32 0.29 3.2066e-01 11323 1 1 1 1 43 GLN HE21 7.546 . 7.17 0.46 4.1371e-01 11323 1 1 1 1 43 GLN HE22 7.147 . 7.07 0.49 8.7513e-01 11323 1 1 1 1 43 GLN N 119.024 . 119.92 4.01 8.2319e-01 11323 1 1 1 1 43 GLN NE2 111.560 . 111.81 2.2 9.0953e-01 11323 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 43 GLN CYS 0.3 11323 1 1 1 1 43 GLN LYS 0.26 11323 1 1 1 1 43 GLN GLN 0.23 11323 1 1 1 1 43 GLN ARG 0.11 11323 1 1 1 1 43 GLN GLU 0.07 11323 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11323 _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 11323 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11323 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11323 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11323 _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_