data_AVS_bmrb_pdb_report_19653 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19653 _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 33 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19653 1 1 1 2 1 DG UNSUPPORTED . . . . . . . 19653 1 1 1 2 2 DG UNSUPPORTED . . . . . . . 19653 1 1 1 2 3 DT UNSUPPORTED . . . . . . . 19653 1 1 1 2 4 DG UNSUPPORTED . . . . . . . 19653 1 1 1 2 5 DT UNSUPPORTED . . . . . . . 19653 1 1 1 2 6 DG UNSUPPORTED . . . . . . . 19653 1 1 1 2 7 DC UNSUPPORTED . . . . . . . 19653 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 33 GLN C 175.914 . 176.31 1.95 8.3907e-01 19653 1 1 1 1 33 GLN CA 56.801 . 56.57 2.14 9.1404e-01 19653 1 1 1 1 33 GLN CB 28.377 . 29.19 1.82 6.5509e-01 19653 1 1 1 1 33 GLN CG 31.013 . 33.76 1.11 1.3332e-02 19653 1 1 1 1 33 GLN H 6.706 . 8.22 0.59 1.0285e-02 19653 1 1 1 1 33 GLN HA 4.081 . 4.27 0.44 6.6753e-01 19653 1 1 1 1 33 GLN HB2 1.577 . 2.05 0.25 5.8491e-02 19653 1 1 1 1 33 GLN HB3 1.577 . 2.02 0.28 1.1362e-01 19653 1 1 1 1 33 GLN HG2 0.086 A 2.32 0.27 1.2946e-16 19653 1 1 1 1 33 GLN HG3 1.488 . 2.29 0.29 5.6833e-03 19653 1 1 1 1 33 GLN HE21 6.758 . 7.24 0.45 2.8412e-01 19653 1 1 1 1 33 GLN HE22 6.060 . 7.02 0.44 2.9123e-02 19653 1 1 1 1 33 GLN N 114.346 . 119.89 3.6 1.2356e-01 19653 1 1 1 1 33 GLN NE2 112.413 . 111.87 1.72 7.5223e-01 19653 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 33 GLN CYS 0.32 19653 1 1 1 1 33 GLN ARG 0.3 19653 1 1 1 1 33 GLN LYS 0.27 19653 1 1 1 1 33 GLN MET 0.06 19653 1 1 1 1 33 GLN GLN 0.03 19653 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19653 _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 19653 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19653 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19653 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19653 _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_