data_AVS_bmrb_pdb_report_17691 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17691 _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 42 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17691 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 42 TRP C 177.529 . 176.1 1.89 4.4960e-01 17691 1 1 1 1 42 TRP CA 59.221 . 57.71 2.65 5.6855e-01 17691 1 1 1 1 42 TRP CB 30.220 . 30.16 2.19 9.7814e-01 17691 1 1 1 1 42 TRP CD1 130.845 A 126.16 1.76 7.7694e-03 17691 1 1 1 1 42 TRP CE3 122.432 . 120.38 1.5 1.7131e-01 17691 1 1 1 1 42 TRP CZ2 112.815 . 114.19 1.09 2.0714e-01 17691 1 1 1 1 42 TRP CZ3 121.423 . 121.57 1.76 9.3344e-01 17691 1 1 1 1 42 TRP CH2 127.062 . 123.75 1.34 1.3449e-02 17691 1 1 1 1 42 TRP HA 3.595 . 4.74 0.55 3.7359e-02 17691 1 1 1 1 42 TRP HB2 3.059 . 3.22 0.36 6.5471e-01 17691 1 1 1 1 42 TRP HB3 3.336 . 3.18 0.36 6.6477e-01 17691 1 1 1 1 42 TRP HD1 7.250 . 7.16 0.34 7.9124e-01 17691 1 1 1 1 42 TRP HE3 5.565 . 7.17 1.03 1.1917e-01 17691 1 1 1 1 42 TRP HZ2 7.140 . 7.14 0.89 1.0000e+00 17691 1 1 1 1 42 TRP HZ3 6.067 . 6.68 1.02 5.4785e-01 17691 1 1 1 1 42 TRP HH2 6.932 . 6.82 0.94 9.0516e-01 17691 1 1 1 1 42 TRP N 121.111 . 121.87 4.58 8.6838e-01 17691 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 42 TRP HIS 0.95 17691 1 1 1 1 42 TRP TRP 0.04 17691 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17691 _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 17691 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17691 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17691 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17691 _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_