data_AVS_bmrb_pdb_report_18283 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18283 _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 52 GLN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18283 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 52 GLN C 175.203 . 176.31 1.95 5.7024e-01 18283 1 1 1 1 52 GLN CA 56.148 . 56.57 2.14 8.4367e-01 18283 1 1 1 1 52 GLN CB 28.483 . 29.19 1.82 6.9767e-01 18283 1 1 1 1 52 GLN CG 33.539 . 33.76 1.11 8.4219e-01 18283 1 1 1 1 52 GLN H 8.469 . 8.22 0.59 6.7300e-01 18283 1 1 1 1 52 GLN HA 4.178 . 4.27 0.44 8.3438e-01 18283 1 1 1 1 52 GLN HB2 1.927 . 2.05 0.25 6.2272e-01 18283 1 1 1 1 52 GLN HB3 2.040 . 2.02 0.28 9.4306e-01 18283 1 1 1 1 52 GLN HG2 2.214 . 2.32 0.27 6.9462e-01 18283 1 1 1 1 52 GLN HG3 2.214 . 2.29 0.29 7.9327e-01 18283 1 1 1 1 52 GLN HE21 8.232 . 7.24 0.45 2.7493e-02 18283 1 1 1 1 52 GLN HE22 7.777 . 7.02 0.44 8.5350e-02 18283 1 1 1 1 52 GLN N 123.718 . 119.89 3.6 2.8763e-01 18283 1 1 1 1 52 GLN NE2 125.331 A 111.87 1.72 5.0299e-15 18283 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 52 GLN GLN 0.29 18283 1 1 1 1 52 GLN LYS 0.28 18283 1 1 1 1 52 GLN CYS 0.24 18283 1 1 1 1 52 GLN ARG 0.09 18283 1 1 1 1 52 GLN MET 0.04 18283 1 1 1 1 52 GLN GLU 0.03 18283 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18283 _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 18283 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18283 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18283 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18283 _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_