data_AVS_bmrb_pdb_report_6877 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6877 _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 35 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 6877 1 1 1 2 1 DG UNSUPPORTED . . . . . . . 6877 1 1 1 2 2 DT UNSUPPORTED . . . . . . . 6877 1 1 1 2 3 DA UNSUPPORTED . . . . . . . 6877 1 1 1 2 4 DA UNSUPPORTED . . . . . . . 6877 1 1 1 2 5 DC UNSUPPORTED . . . . . . . 6877 1 1 1 2 6 DC UNSUPPORTED . . . . . . . 6877 1 1 1 2 7 DG UNSUPPORTED . . . . . . . 6877 1 1 1 2 8 DA UNSUPPORTED . . . . . . . 6877 1 1 1 2 9 DA UNSUPPORTED . . . . . . . 6877 1 1 1 2 10 DA UNSUPPORTED . . . . . . . 6877 1 1 1 2 11 DT UNSUPPORTED . . . . . . . 6877 1 1 1 2 12 DC UNSUPPORTED . . . . . . . 6877 1 1 1 2 13 DG UNSUPPORTED . . . . . . . 6877 1 1 1 2 14 DG UNSUPPORTED . . . . . . . 6877 1 1 1 2 15 DT UNSUPPORTED . . . . . . . 6877 1 1 1 2 16 DT UNSUPPORTED . . . . . . . 6877 1 1 1 2 17 DG UNSUPPORTED . . . . . . . 6877 1 1 1 2 18 DA UNSUPPORTED . . . . . . . 6877 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 35 TRP C 170.270 A 176.1 1.89 2.0379e-03 6877 1 1 1 1 35 TRP CA 52.570 . 57.71 2.65 5.2426e-02 6877 1 1 1 1 35 TRP H 9.760 . 8.35 0.84 9.3236e-02 6877 1 1 1 1 35 TRP HA 5.070 . 4.74 0.55 5.4851e-01 6877 1 1 1 1 35 TRP N 131.650 . 121.87 4.58 3.2731e-02 6877 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 35 TRP ALA 0.28 6877 1 1 1 1 35 TRP ASN 0.24 6877 1 1 1 1 35 TRP ASP 0.12 6877 1 1 1 1 35 TRP LEU 0.06 6877 1 1 1 1 35 TRP CYS 0.05 6877 1 1 1 1 35 TRP MET 0.04 6877 1 1 1 1 35 TRP HIS 0.04 6877 1 1 1 1 35 TRP ARG 0.02 6877 1 1 1 1 35 TRP GLN 0.02 6877 1 1 1 1 35 TRP LYS 0.02 6877 1 1 1 1 35 TRP TRP 0.01 6877 1 1 1 1 35 TRP TYR 0.01 6877 1 1 1 1 35 TRP PHE 0.01 6877 1 1 1 1 35 TRP PRO 0.01 6877 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6877 _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 6877 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6877 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6877 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6877 _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_