data_AVS_bmrb_pdb_report_5345 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5345 _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 18 GLN Anomalous Consistent Consistent Anomalous Duplicate Duplicate . . 5345 1 1 1 2 1 DG UNSUPPORTED . . . . . . . 5345 1 1 1 2 2 DA UNSUPPORTED . . . . . . . 5345 1 1 1 2 3 DA UNSUPPORTED . . . . . . . 5345 1 1 1 2 4 DT UNSUPPORTED . . . . . . . 5345 1 1 1 2 5 DT UNSUPPORTED . . . . . . . 5345 1 1 1 2 6 DG UNSUPPORTED . . . . . . . 5345 1 1 1 2 7 DT UNSUPPORTED . . . . . . . 5345 1 1 1 2 8 DG UNSUPPORTED . . . . . . . 5345 1 1 1 2 9 DA UNSUPPORTED . . . . . . . 5345 1 1 1 2 10 DG UNSUPPORTED . . . . . . . 5345 1 1 1 2 11 DC UNSUPPORTED . . . . . . . 5345 1 1 1 2 12 DG UNSUPPORTED . . . . . . . 5345 1 1 1 2 13 DG UNSUPPORTED . . . . . . . 5345 1 1 1 2 14 DA UNSUPPORTED . . . . . . . 5345 1 1 1 2 15 DT UNSUPPORTED . . . . . . . 5345 1 1 1 2 16 DA UNSUPPORTED . . . . . . . 5345 1 1 1 2 17 DA UNSUPPORTED . . . . . . . 5345 1 1 1 2 18 DC UNSUPPORTED . . . . . . . 5345 1 1 1 2 19 DA UNSUPPORTED . . . . . . . 5345 1 1 1 2 20 DA UNSUPPORTED . . . . . . . 5345 1 1 1 2 21 DT UNSUPPORTED . . . . . . . 5345 1 1 1 2 22 DT UNSUPPORTED . . . . . . . 5345 1 1 1 2 23 DT UNSUPPORTED . . . . . . . 5345 1 1 1 3 1 DA UNSUPPORTED . . . . . . . 5345 1 1 1 3 2 DA UNSUPPORTED . . . . . . . 5345 1 1 1 3 3 DA UNSUPPORTED . . . . . . . 5345 1 1 1 3 4 DT UNSUPPORTED . . . . . . . 5345 1 1 1 3 5 DT UNSUPPORTED . . . . . . . 5345 1 1 1 3 6 DG UNSUPPORTED . . . . . . . 5345 1 1 1 3 7 DT UNSUPPORTED . . . . . . . 5345 1 1 1 3 8 DT UNSUPPORTED . . . . . . . 5345 1 1 1 3 9 DA UNSUPPORTED . . . . . . . 5345 1 1 1 3 10 DT UNSUPPORTED . . . . . . . 5345 1 1 1 3 11 DC UNSUPPORTED . . . . . . . 5345 1 1 1 3 12 DC UNSUPPORTED . . . . . . . 5345 1 1 1 3 13 DG UNSUPPORTED . . . . . . . 5345 1 1 1 3 14 DC UNSUPPORTED . . . . . . . 5345 1 1 1 3 15 DT UNSUPPORTED . . . . . . . 5345 1 1 1 3 16 DC UNSUPPORTED . . . . . . . 5345 1 1 1 3 17 DA UNSUPPORTED . . . . . . . 5345 1 1 1 3 18 DC UNSUPPORTED . . . . . . . 5345 1 1 1 3 19 DA UNSUPPORTED . . . . . . . 5345 1 1 1 3 20 DA UNSUPPORTED . . . . . . . 5345 1 1 1 3 21 DT UNSUPPORTED . . . . . . . 5345 1 1 1 3 22 DT UNSUPPORTED . . . . . . . 5345 1 1 1 3 23 DC UNSUPPORTED . . . . . . . 5345 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 18 GLN C 177.943 D 176.39 1.96 4.2816e-01 5345 1 1 1 1 18 GLN CA 56.004 D 56.62 2.19 7.7850e-01 5345 1 1 1 1 18 GLN CB 28.150 D 29.1 1.97 6.2964e-01 5345 1 1 1 1 18 GLN H 5.600 A 8.22 0.62 2.3809e-05 5345 1 1 1 1 18 GLN HA 4.250 D 4.28 0.44 9.4564e-01 5345 1 1 1 1 18 GLN HB2 2.230 D 2.05 0.28 5.2032e-01 5345 1 1 1 1 18 GLN HB3 2.340 D 2.04 0.29 3.0091e-01 5345 1 1 1 1 18 GLN HG2 2.450 D 2.32 0.29 6.5395e-01 5345 1 1 1 1 18 GLN HG3 2.450 D 2.32 0.29 6.5395e-01 5345 1 1 1 1 18 GLN HE21 6.651 D 7.17 0.46 2.5921e-01 5345 1 1 1 1 18 GLN HE22 7.244 D 7.07 0.49 7.2251e-01 5345 1 1 1 1 18 GLN N 121.900 D 119.92 4.01 6.2147e-01 5345 1 1 1 1 18 GLN NE2 110.650 D 111.81 2.2 5.9800e-01 5345 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 18 GLN GLN 0.16 5345 1 1 1 1 18 GLN LYS 0.16 5345 1 1 1 1 18 GLN ARG 0.16 5345 1 1 1 1 18 GLN HIS 0.13 5345 1 1 1 1 18 GLN CYS 0.12 5345 1 1 1 1 18 GLN LEU 0.1 5345 1 1 1 1 18 GLN GLU 0.09 5345 1 1 1 1 18 GLN ILE 0.02 5345 1 1 1 1 18 GLN MET 0.02 5345 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5345 _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 5345 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 5345 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 5345 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5345 _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_