data_AVS_bmrb_pdb_report_17192 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17192 _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 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17192 1 1 1 1 75 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17192 1 1 1 1 87 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17192 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 CYS C 177.194 . 174.78 1.99 2.2510e-01 17192 1 1 1 1 52 CYS CA 65.816 . 57.43 3.41 1.3923e-02 17192 1 1 1 1 52 CYS CB 27.397 . 34.15 6.77 3.1853e-01 17192 1 1 1 1 52 CYS H 7.571 . 8.42 0.66 1.9832e-01 17192 1 1 1 1 52 CYS HA 4.220 . 4.73 0.57 3.7093e-01 17192 1 1 1 1 52 CYS HB2 2.446 . 2.95 0.43 2.4116e-01 17192 1 1 1 1 52 CYS HB3 3.116 . 2.98 0.45 7.6248e-01 17192 1 1 1 1 52 CYS HG 2.852 A 1.66 0.48 1.3016e-02 17192 1 1 1 1 52 CYS N 116.463 . 119.95 4.79 4.6663e-01 17192 1 1 1 1 75 GLU C 177.795 . 176.93 2.11 6.8184e-01 17192 1 1 1 1 75 GLU CA 59.353 . 57.42 2.19 3.7743e-01 17192 1 1 1 1 75 GLU CB 30.367 . 30.07 1.84 8.7177e-01 17192 1 1 1 1 75 GLU CG 35.982 . 36.01 1.51 9.8521e-01 17192 1 1 1 1 75 GLU H 7.396 . 8.34 0.61 1.2173e-01 17192 1 1 1 1 75 GLU HA 3.585 . 4.26 0.43 1.1647e-01 17192 1 1 1 1 75 GLU HB2 1.776 . 2.04 0.22 2.3014e-01 17192 1 1 1 1 75 GLU HB3 1.450 . 2.04 0.23 1.0311e-02 17192 1 1 1 1 75 GLU HG2 1.814 . 2.31 0.21 1.8181e-02 17192 1 1 1 1 75 GLU HG3 0.703 A 2.31 0.21 1.9729e-14 17192 1 1 1 1 75 GLU N 122.828 . 120.68 3.68 5.5943e-01 17192 1 1 1 1 87 CYS C 176.787 . 174.78 1.99 3.1319e-01 17192 1 1 1 1 87 CYS CA 63.809 . 57.43 3.41 6.1390e-02 17192 1 1 1 1 87 CYS CB 26.744 . 34.15 6.77 2.7398e-01 17192 1 1 1 1 87 CYS H 8.304 . 8.42 0.66 8.6048e-01 17192 1 1 1 1 87 CYS HA 3.756 . 4.73 0.57 8.7493e-02 17192 1 1 1 1 87 CYS HB2 2.268 . 2.95 0.43 1.1273e-01 17192 1 1 1 1 87 CYS HB3 2.462 . 2.98 0.45 2.4969e-01 17192 1 1 1 1 87 CYS HG 1.315 A 1.66 0.48 4.7230e-01 17192 1 1 1 1 87 CYS N 120.507 . 119.95 4.79 9.0743e-01 17192 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 CYS ILE 0.47 17192 1 1 1 1 52 CYS PRO 0.45 17192 1 1 1 1 52 CYS CYS 0.04 17192 1 1 1 1 52 CYS VAL 0.01 17192 1 1 1 1 75 GLU GLU 0.35 17192 1 1 1 1 75 GLU CYS 0.34 17192 1 1 1 1 75 GLU ILE 0.13 17192 1 1 1 1 75 GLU MET 0.06 17192 1 1 1 1 75 GLU LYS 0.06 17192 1 1 1 1 75 GLU GLN 0.04 17192 1 1 1 1 87 CYS PRO 0.52 17192 1 1 1 1 87 CYS ILE 0.38 17192 1 1 1 1 87 CYS CYS 0.05 17192 1 1 1 1 87 CYS TRP 0.01 17192 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17192 _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 17192 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17192 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17192 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17192 _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_