data_AVS_bmrb_pdb_report_5361 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5361 _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 34 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5361 1 1 1 2 1 DG UNSUPPORTED . . . . . . . 5361 1 1 1 2 2 DT UNSUPPORTED . . . . . . . 5361 1 1 1 2 3 DT UNSUPPORTED . . . . . . . 5361 1 1 1 2 4 DA UNSUPPORTED . . . . . . . 5361 1 1 1 2 5 DG UNSUPPORTED . . . . . . . 5361 1 1 1 2 6 DG UNSUPPORTED . . . . . . . 5361 1 1 1 2 7 DG UNSUPPORTED . . . . . . . 5361 1 1 1 2 8 DT UNSUPPORTED . . . . . . . 5361 1 1 1 2 9 DT UNSUPPORTED . . . . . . . 5361 1 1 1 2 10 DA UNSUPPORTED . . . . . . . 5361 1 1 1 2 11 DG UNSUPPORTED . . . . . . . 5361 1 1 1 2 12 DG UNSUPPORTED . . . . . . . 5361 1 1 1 2 13 DG UNSUPPORTED . . . . . . . 5361 1 1 1 3 1 DC UNSUPPORTED . . . . . . . 5361 1 1 1 3 2 DC UNSUPPORTED . . . . . . . 5361 1 1 1 3 3 DC UNSUPPORTED . . . . . . . 5361 1 1 1 3 4 DT UNSUPPORTED . . . . . . . 5361 1 1 1 3 5 DA UNSUPPORTED . . . . . . . 5361 1 1 1 3 6 DA UNSUPPORTED . . . . . . . 5361 1 1 1 3 7 DC UNSUPPORTED . . . . . . . 5361 1 1 1 3 8 DC UNSUPPORTED . . . . . . . 5361 1 1 1 3 9 DC UNSUPPORTED . . . . . . . 5361 1 1 1 3 10 DT UNSUPPORTED . . . . . . . 5361 1 1 1 3 11 DA UNSUPPORTED . . . . . . . 5361 1 1 1 3 12 DA UNSUPPORTED . . . . . . . 5361 1 1 1 3 13 DC UNSUPPORTED . . . . . . . 5361 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 34 TRP C 176.4 . 176.1 1.89 8.7388e-01 5361 1 1 1 1 34 TRP CA 56.1 . 57.71 2.65 5.4349e-01 5361 1 1 1 1 34 TRP CB 27.7 . 30.16 2.19 2.6132e-01 5361 1 1 1 1 34 TRP H 6.56 . 8.35 0.84 3.3093e-02 5361 1 1 1 1 34 TRP HA 4.21 . 4.74 0.55 3.3523e-01 5361 1 1 1 1 34 TRP HB2 3.37 . 3.22 0.36 6.7692e-01 5361 1 1 1 1 34 TRP HB3 3.61 . 3.18 0.36 2.3230e-01 5361 1 1 1 1 34 TRP HD1 7.50 . 7.16 0.34 3.1731e-01 5361 1 1 1 1 34 TRP HE1 12.14 A 10.13 0.53 1.4917e-04 5361 1 1 1 1 34 TRP HE3 7.14 . 7.17 1.03 9.7676e-01 5361 1 1 1 1 34 TRP HZ2 7.83 . 7.14 0.89 4.3817e-01 5361 1 1 1 1 34 TRP HZ3 6.28 . 6.68 1.02 6.9494e-01 5361 1 1 1 1 34 TRP HH2 7.83 . 6.82 0.94 2.8261e-01 5361 1 1 1 1 34 TRP N 119.8 . 121.87 4.58 6.5129e-01 5361 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 34 TRP ARG 0.17 5361 1 1 1 1 34 TRP GLN 0.14 5361 1 1 1 1 34 TRP LEU 0.14 5361 1 1 1 1 34 TRP LYS 0.13 5361 1 1 1 1 34 TRP CYS 0.11 5361 1 1 1 1 34 TRP HIS 0.1 5361 1 1 1 1 34 TRP TRP 0.08 5361 1 1 1 1 34 TRP GLU 0.06 5361 1 1 1 1 34 TRP ILE 0.02 5361 1 1 1 1 34 TRP MET 0.01 5361 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5361 _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 5361 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 5361 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 5361 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5361 _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_