data_AVS_bmrb_pdb_report_25342 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25342 _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 13 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 25342 1 1 1 2 1 FMN UNSUPPORTED . . . . . . . 25342 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 13 TRP C 175.708 . 176.12 2.01 8.3759e-01 25342 1 1 1 1 13 TRP CA 58.116 . 57.66 2.58 8.5971e-01 25342 1 1 1 1 13 TRP CB 27.635 . 30.01 2.01 2.3737e-01 25342 1 1 1 1 13 TRP CE3 116.858 . 120.43 1.79 4.5985e-02 25342 1 1 1 1 13 TRP CZ2 109.100 A 114.26 1.12 4.0824e-06 25342 1 1 1 1 13 TRP H 9.755 . 8.29 0.79 6.3678e-02 25342 1 1 1 1 13 TRP HA 4.636 . 4.68 0.53 9.3384e-01 25342 1 1 1 1 13 TRP HB2 3.793 . 3.19 0.35 8.4914e-02 25342 1 1 1 1 13 TRP HB3 4.230 . 3.12 0.36 2.0470e-03 25342 1 1 1 1 13 TRP HE1 10.917 . 10.08 0.66 2.0473e-01 25342 1 1 1 1 13 TRP HE3 7.224 . 7.31 0.41 8.3386e-01 25342 1 1 1 1 13 TRP HZ2 6.883 . 7.28 0.33 2.2896e-01 25342 1 1 1 1 13 TRP N 135.232 . 121.68 4.18 1.1865e-03 25342 1 1 1 1 13 TRP NE1 129.932 . 129.32 2.11 7.7178e-01 25342 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 13 TRP HIS 0.98 25342 1 1 1 1 13 TRP TRP 0.01 25342 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25342 _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 25342 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25342 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25342 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25342 _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_