data_AVS_bmrb_pdb_report_17493 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17493 _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 86 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17493 1 1 1 1 150 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17493 1 1 1 1 156 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17493 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 86 GLU CA 58.318 . 57.42 2.19 6.8177e-01 17493 1 1 1 1 86 GLU CB 29.016 . 30.07 1.84 5.6676e-01 17493 1 1 1 1 86 GLU H 7.758 . 8.34 0.61 3.4003e-01 17493 1 1 1 1 86 GLU HA 4.298 . 4.26 0.43 9.2958e-01 17493 1 1 1 1 86 GLU HB2 3.180 S 2.04 0.22 2.1973e-07 17493 1 1 1 1 86 GLU HB3 3.180 A 2.04 0.23 7.1766e-07 17493 1 1 1 1 86 GLU N 120.309 . 120.68 3.68 9.1970e-01 17493 1 1 1 1 150 ARG CA 54.578 . 56.95 2.41 3.2500e-01 17493 1 1 1 1 150 ARG CB 33.902 . 30.66 1.77 6.7005e-02 17493 1 1 1 1 150 ARG CG 26.660 . 27.31 1.65 6.9363e-01 17493 1 1 1 1 150 ARG CD 44.156 . 43.1 1.1 3.3706e-01 17493 1 1 1 1 150 ARG H 8.268 . 8.24 0.6 9.6278e-01 17493 1 1 1 1 150 ARG HA 6.013 A 4.27 0.44 7.4523e-05 17493 1 1 1 1 150 ARG HB2 1.720 . 1.79 0.28 8.0259e-01 17493 1 1 1 1 150 ARG HB3 1.720 . 1.78 0.28 8.3032e-01 17493 1 1 1 1 150 ARG HG2 1.675 . 1.58 0.27 7.2495e-01 17493 1 1 1 1 150 ARG HG3 1.675 . 1.58 0.27 7.2495e-01 17493 1 1 1 1 150 ARG HD2 3.355 . 3.13 0.23 3.2795e-01 17493 1 1 1 1 150 ARG HD3 3.105 . 3.13 0.22 9.0953e-01 17493 1 1 1 1 150 ARG N 122.184 . 120.61 3.9 6.8651e-01 17493 1 1 1 1 156 HIS CA 54.650 . 56.37 2.4 4.7358e-01 17493 1 1 1 1 156 HIS CB 29.486 . 29.95 2.15 8.2913e-01 17493 1 1 1 1 156 HIS H 6.162 . 8.25 0.74 4.7782e-03 17493 1 1 1 1 156 HIS HA 4.506 . 4.62 0.51 8.2312e-01 17493 1 1 1 1 156 HIS HB2 2.930 . 3.12 0.43 6.5859e-01 17493 1 1 1 1 156 HIS HB3 0.056 A 3.11 0.45 1.1475e-11 17493 1 1 1 1 156 HIS HD2 8.060 . 7.08 0.5 4.9996e-02 17493 1 1 1 1 156 HIS N 106.683 . 119.44 4.52 4.7674e-03 17493 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 86 GLU TRP 0.14 17493 1 1 1 1 86 GLU LYS 0.13 17493 1 1 1 1 86 GLU GLU 0.13 17493 1 1 1 1 86 GLU GLN 0.13 17493 1 1 1 1 86 GLU CYS 0.12 17493 1 1 1 1 86 GLU HIS 0.11 17493 1 1 1 1 86 GLU ARG 0.09 17493 1 1 1 1 86 GLU ILE 0.07 17493 1 1 1 1 86 GLU LEU 0.01 17493 1 1 1 1 86 GLU VAL 0.01 17493 1 1 1 1 150 ARG CYS 0.49 17493 1 1 1 1 150 ARG GLY 0.28 17493 1 1 1 1 150 ARG ARG 0.17 17493 1 1 1 1 150 ARG LYS 0.04 17493 1 1 1 1 156 HIS HIS 0.18 17493 1 1 1 1 156 HIS GLN 0.16 17493 1 1 1 1 156 HIS CYS 0.13 17493 1 1 1 1 156 HIS LYS 0.13 17493 1 1 1 1 156 HIS ARG 0.12 17493 1 1 1 1 156 HIS TRP 0.12 17493 1 1 1 1 156 HIS GLU 0.1 17493 1 1 1 1 156 HIS LEU 0.02 17493 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17493 _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 17493 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17493 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17493 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17493 _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_