data_AVS_bmrb_pdb_report_34325 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34325 _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 1 105 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 34325 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 1 105 TRP C 176.464 . 176.12 2.01 8.6411e-01 34325 1 1 1 1 105 TRP CA 57.939 . 57.66 2.58 9.1389e-01 34325 1 1 1 1 105 TRP CB 27.893 . 30.01 2.01 2.9223e-01 34325 1 1 1 1 105 TRP CD1 127.800 . 126.51 1.83 4.8086e-01 34325 1 1 1 1 105 TRP CE3 127.940 S 120.43 1.79 2.7223e-05 34325 1 1 1 1 105 TRP CZ2 102.990 A 114.26 1.12 8.0917e-24 34325 1 1 1 1 105 TRP CZ3 118.230 . 121.35 1.53 4.1429e-02 34325 1 1 1 1 105 TRP CH2 118.230 S 123.86 1.42 7.3461e-05 34325 1 1 1 1 105 TRP H 7.793 . 8.29 0.79 5.2927e-01 34325 1 1 1 1 105 TRP HA 4.556 . 4.68 0.53 8.1501e-01 34325 1 1 1 1 105 TRP HB2 3.012 . 3.19 0.35 6.1105e-01 34325 1 1 1 1 105 TRP HB3 3.617 . 3.12 0.36 1.6742e-01 34325 1 1 1 1 105 TRP HD1 7.020 . 7.14 0.36 7.3888e-01 34325 1 1 1 1 105 TRP HE1 11.020 . 10.08 0.66 1.5438e-01 34325 1 1 1 1 105 TRP HE3 6.767 . 7.31 0.41 1.8537e-01 34325 1 1 1 1 105 TRP HZ2 7.200 . 7.28 0.33 8.0845e-01 34325 1 1 1 1 105 TRP HZ3 6.655 . 6.86 0.4 6.0830e-01 34325 1 1 1 1 105 TRP HH2 6.864 . 6.98 0.39 7.6613e-01 34325 1 1 1 1 105 TRP N 121.816 . 121.68 4.18 9.7404e-01 34325 1 1 1 1 105 TRP NE1 125.822 . 129.32 2.11 9.7354e-02 34325 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 1 105 TRP ALA 0.77 34325 1 1 1 1 105 TRP HIS 0.22 34325 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34325 _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 34325 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34325 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34325 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34325 _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_