data_AVS_bmrb_pdb_report_17272 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17272 _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 31 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17272 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 31 GLN CA 58.900 . 56.62 2.19 2.9783e-01 17272 1 1 1 1 31 GLN CB 26.949 . 29.1 1.97 2.7489e-01 17272 1 1 1 1 31 GLN CG 32.450 . 33.72 1.1 2.4828e-01 17272 1 1 1 1 31 GLN H 8.418 . 8.22 0.62 7.4946e-01 17272 1 1 1 1 31 GLN HA 3.031 . 4.28 0.44 4.5307e-03 17272 1 1 1 1 31 GLN HB2 1.496 . 2.05 0.28 4.7864e-02 17272 1 1 1 1 31 GLN HB3 0.777 S 2.04 0.29 1.3296e-05 17272 1 1 1 1 31 GLN HG2 1.672 . 2.32 0.29 2.5451e-02 17272 1 1 1 1 31 GLN HG3 0.245 A 2.32 0.29 8.3568e-13 17272 1 1 1 1 31 GLN N 117.200 . 119.92 4.01 4.9758e-01 17272 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 31 GLN CYS 0.36 17272 1 1 1 1 31 GLN ARG 0.25 17272 1 1 1 1 31 GLN LYS 0.18 17272 1 1 1 1 31 GLN GLN 0.12 17272 1 1 1 1 31 GLN PRO 0.02 17272 1 1 1 1 31 GLN MET 0.01 17272 1 1 1 1 31 GLN GLU 0.01 17272 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17272 _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 17272 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17272 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17272 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17272 _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_