data_AVS_bmrb_pdb_report_15190 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15190 _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 19 TRP Anomalous Consistent Consistent Anomalous Anomalous Consistent . . 15190 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 19 TRP C 170.195 A 176.1 1.89 1.7821e-03 15190 1 1 1 1 19 TRP CA 56.750 . 57.71 2.65 7.1715e-01 15190 1 1 1 1 19 TRP CB 33.935 . 30.16 2.19 8.4754e-02 15190 1 1 1 1 19 TRP CD1 127.634 . 126.16 1.76 4.0231e-01 15190 1 1 1 1 19 TRP CE3 120.484 . 120.38 1.5 9.4472e-01 15190 1 1 1 1 19 TRP CZ2 114.734 . 114.19 1.09 6.1772e-01 15190 1 1 1 1 19 TRP CZ3 121.438 . 121.57 1.76 9.4021e-01 15190 1 1 1 1 19 TRP CH2 123.768 . 123.75 1.34 9.8928e-01 15190 1 1 1 1 19 TRP H 9.079 . 8.35 0.84 3.8547e-01 15190 1 1 1 1 19 TRP HA 4.300 . 4.74 0.55 4.2371e-01 15190 1 1 1 1 19 TRP HB2 2.975 . 3.22 0.36 4.9615e-01 15190 1 1 1 1 19 TRP HB3 2.975 . 3.18 0.36 5.6905e-01 15190 1 1 1 1 19 TRP HD1 5.213 A 7.16 0.34 1.0254e-08 15190 1 1 1 1 19 TRP HE1 9.723 . 10.13 0.53 4.4253e-01 15190 1 1 1 1 19 TRP HE3 7.432 . 7.17 1.03 7.9921e-01 15190 1 1 1 1 19 TRP HZ2 7.323 . 7.14 0.89 8.3709e-01 15190 1 1 1 1 19 TRP HZ3 6.892 . 6.68 1.02 8.3535e-01 15190 1 1 1 1 19 TRP HH2 7.027 . 6.82 0.94 8.2571e-01 15190 1 1 1 1 19 TRP N 130.082 . 121.87 4.58 7.2971e-02 15190 1 1 1 1 19 TRP NE1 128.507 . 129.48 2.56 7.0389e-01 15190 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 19 TRP CYS 0.58 15190 1 1 1 1 19 TRP TRP 0.4 15190 1 1 1 1 19 TRP HIS 0.01 15190 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15190 _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 15190 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15190 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15190 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15190 _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_