data_AVS_bmrb_pdb_report_17524 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17524 _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 1 115 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17524 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 1 115 TRP C 178.136 . 176.1 1.89 2.8137e-01 17524 1 1 1 1 115 TRP CA 57.598 . 57.71 2.65 9.6629e-01 17524 1 1 1 1 115 TRP CB 30.766 . 30.16 2.19 7.8200e-01 17524 1 1 1 1 115 TRP CD1 122.851 . 126.16 1.76 6.0093e-02 17524 1 1 1 1 115 TRP CZ2 114.014 . 114.19 1.09 8.7173e-01 17524 1 1 1 1 115 TRP CZ3 119.694 . 121.57 1.76 2.8646e-01 17524 1 1 1 1 115 TRP CH2 122.961 . 123.75 1.34 5.5599e-01 17524 1 1 1 1 115 TRP H 8.058 . 8.35 0.84 7.2813e-01 17524 1 1 1 1 115 TRP HA 3.792 . 4.74 0.55 8.4774e-02 17524 1 1 1 1 115 TRP HB2 2.472 . 3.22 0.36 3.7730e-02 17524 1 1 1 1 115 TRP HB3 3.166 . 3.18 0.36 9.6898e-01 17524 1 1 1 1 115 TRP HD1 7.107 . 7.16 0.34 8.7613e-01 17524 1 1 1 1 115 TRP HE1 11.920 A 10.13 0.53 7.3186e-04 17524 1 1 1 1 115 TRP HZ2 7.304 . 7.14 0.89 8.5380e-01 17524 1 1 1 1 115 TRP HZ3 6.431 . 6.68 1.02 8.0714e-01 17524 1 1 1 1 115 TRP HH2 6.621 . 6.82 0.94 8.3234e-01 17524 1 1 1 1 115 TRP N 122.266 . 121.87 4.58 9.3110e-01 17524 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 1 115 TRP CYS 0.62 17524 1 1 1 1 115 TRP TRP 0.37 17524 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17524 _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 17524 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17524 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17524 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17524 _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_