data_AVS_bmrb_pdb_report_11065 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11065 _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 72 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11065 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 72 GLN C 174.832 . 176.39 1.96 4.2667e-01 11065 1 1 1 1 72 GLN CA 57.793 . 56.62 2.19 5.9222e-01 11065 1 1 1 1 72 GLN CB 29.029 . 29.1 1.97 9.7125e-01 11065 1 1 1 1 72 GLN CG 33.952 . 33.72 1.1 8.3296e-01 11065 1 1 1 1 72 GLN H 8.467 . 8.22 0.62 6.9034e-01 11065 1 1 1 1 72 GLN HA 3.962 . 4.28 0.44 4.6985e-01 11065 1 1 1 1 72 GLN HB2 2.169 . 2.05 0.28 6.7084e-01 11065 1 1 1 1 72 GLN HB3 2.330 . 2.04 0.29 3.1731e-01 11065 1 1 1 1 72 GLN HG2 2.577 . 2.32 0.29 3.7551e-01 11065 1 1 1 1 72 GLN HG3 1.821 . 2.32 0.29 8.5307e-02 11065 1 1 1 1 72 GLN HE21 7.239 . 7.17 0.46 8.8076e-01 11065 1 1 1 1 72 GLN HE22 9.125 A 7.07 0.49 2.7423e-05 11065 1 1 1 1 72 GLN N 123.793 . 119.92 4.01 3.3413e-01 11065 1 1 1 1 72 GLN NE2 113.626 . 111.81 2.2 4.0911e-01 11065 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 72 GLN CYS 0.26 11065 1 1 1 1 72 GLN GLN 0.25 11065 1 1 1 1 72 GLN LYS 0.23 11065 1 1 1 1 72 GLN GLU 0.13 11065 1 1 1 1 72 GLN ARG 0.05 11065 1 1 1 1 72 GLN MET 0.04 11065 1 1 1 1 72 GLN ILE 0.01 11065 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11065 _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 11065 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11065 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11065 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11065 _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_