data_AVS_bmrb_pdb_report_17476 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17476 _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 41 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17476 1 1 1 1 78 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17476 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 41 GLU C 177.200 . 176.93 2.11 8.9818e-01 17476 1 1 1 1 41 GLU CA 57.820 . 57.42 2.19 8.5507e-01 17476 1 1 1 1 41 GLU CB 29.080 . 30.07 1.84 5.9055e-01 17476 1 1 1 1 41 GLU H 8.869 . 8.34 0.61 3.8583e-01 17476 1 1 1 1 41 GLU HA 3.714 . 4.26 0.43 2.0417e-01 17476 1 1 1 1 41 GLU HB2 1.159 S 2.04 0.22 6.2137e-05 17476 1 1 1 1 41 GLU HB3 1.528 . 2.04 0.23 2.6008e-02 17476 1 1 1 1 41 GLU HG2 2.034 . 2.31 0.21 1.8875e-01 17476 1 1 1 1 41 GLU HG3 0.698 A 2.31 0.21 1.6389e-14 17476 1 1 1 1 41 GLU N 125.330 . 120.68 3.68 2.0638e-01 17476 1 1 1 1 78 TRP C 172.920 . 176.1 1.89 9.2464e-02 17476 1 1 1 1 78 TRP CA 55.170 . 57.71 2.65 3.3782e-01 17476 1 1 1 1 78 TRP CB 33.910 . 30.16 2.19 8.6836e-02 17476 1 1 1 1 78 TRP H 9.443 . 8.35 0.84 1.9319e-01 17476 1 1 1 1 78 TRP HA 4.845 . 4.74 0.55 8.4860e-01 17476 1 1 1 1 78 TRP HB2 2.739 . 3.22 0.36 1.8151e-01 17476 1 1 1 1 78 TRP HB3 2.844 . 3.18 0.36 3.5065e-01 17476 1 1 1 1 78 TRP HD1 5.124 A 7.16 0.34 2.1213e-09 17476 1 1 1 1 78 TRP HE1 9.224 . 10.13 0.53 8.7371e-02 17476 1 1 1 1 78 TRP HE3 7.231 . 7.17 1.03 9.5277e-01 17476 1 1 1 1 78 TRP HZ2 7.137 . 7.14 0.89 9.9731e-01 17476 1 1 1 1 78 TRP HZ3 7.229 . 6.68 1.02 5.9041e-01 17476 1 1 1 1 78 TRP HH2 6.983 . 6.82 0.94 8.6233e-01 17476 1 1 1 1 78 TRP N 129.310 . 121.87 4.58 1.0428e-01 17476 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 41 GLU LYS 0.14 17476 1 1 1 1 41 GLU TRP 0.14 17476 1 1 1 1 41 GLU GLN 0.14 17476 1 1 1 1 41 GLU GLU 0.13 17476 1 1 1 1 41 GLU HIS 0.12 17476 1 1 1 1 41 GLU CYS 0.12 17476 1 1 1 1 41 GLU ARG 0.1 17476 1 1 1 1 41 GLU ILE 0.05 17476 1 1 1 1 41 GLU LEU 0.01 17476 1 1 1 1 78 TRP CYS 0.26 17476 1 1 1 1 78 TRP GLN 0.26 17476 1 1 1 1 78 TRP LYS 0.21 17476 1 1 1 1 78 TRP GLU 0.07 17476 1 1 1 1 78 TRP HIS 0.05 17476 1 1 1 1 78 TRP TRP 0.04 17476 1 1 1 1 78 TRP ARG 0.04 17476 1 1 1 1 78 TRP VAL 0.01 17476 1 1 1 1 78 TRP TYR 0.01 17476 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17476 _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 17476 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17476 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17476 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17476 _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_