data_AVS_bmrb_pdb_report_17728 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17728 _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 26 TRP Anomalous Consistent Consistent Indeterminable Anomalous Indeterminable . . 17728 1 1 1 1 45 PHE Anomalous Consistent Consistent Indeterminable Anomalous Indeterminable . . 17728 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 26 TRP C 178.6 . 176.1 1.89 1.8592e-01 17728 1 1 1 1 26 TRP CA 60.8 . 57.71 2.65 2.4360e-01 17728 1 1 1 1 26 TRP CB 28.8 . 30.16 2.19 5.3460e-01 17728 1 1 1 1 26 TRP CG 114.1 . 110.37 1.55 1.6108e-02 17728 1 1 1 1 26 TRP CD1 127.5 . 126.16 1.76 4.4644e-01 17728 1 1 1 1 26 TRP CD2 129.2 . 127.4 1.33 1.7593e-01 17728 1 1 1 1 26 TRP CE2 139.9 A 137.38 2.86 3.7825e-01 17728 1 1 1 1 26 TRP CE3 119.6 . 120.38 1.5 6.0306e-01 17728 1 1 1 1 26 TRP CZ2 113.3 . 114.19 1.09 4.1421e-01 17728 1 1 1 1 26 TRP CZ3 120.3 . 121.57 1.76 4.7055e-01 17728 1 1 1 1 26 TRP CH2 124.7 . 123.75 1.34 4.7835e-01 17728 1 1 1 1 45 PHE C 178.5 . 175.49 2.13 1.5761e-01 17728 1 1 1 1 45 PHE CA 61.8 . 58.25 2.73 1.9348e-01 17728 1 1 1 1 45 PHE CB 37.9 . 39.95 2.04 3.1494e-01 17728 1 1 1 1 45 PHE CG 141.3 A 138.35 1.12 8.4403e-03 17728 1 1 1 1 45 PHE CD1 130.6 . 131.38 1.38 5.7193e-01 17728 1 1 1 1 45 PHE CD2 130.6 . 131.33 1.48 6.2184e-01 17728 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 26 TRP TRP 0.99 17728 1 1 1 1 45 PHE PHE 0.99 17728 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17728 _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 17728 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17728 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17728 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17728 _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_