data_AVS_bmrb_pdb_report_15487 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15487 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15487 1 1 1 1 42 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15487 1 1 1 1 42 TRP CA 57.715 . 57.71 2.65 9.9849e-01 15487 1 1 1 1 42 TRP CB 24.746 . 30.16 2.19 1.3430e-02 15487 1 1 1 1 42 TRP CD1 126.052 . 126.16 1.76 9.5107e-01 15487 1 1 1 1 42 TRP CZ2 112.652 . 114.19 1.09 1.5824e-01 15487 1 1 1 1 42 TRP CZ3 122.278 . 121.57 1.76 6.8748e-01 15487 1 1 1 1 42 TRP CH2 119.434 M 123.75 1.34 1.2779e-03 15487 1 1 1 1 42 TRP H 8.857 . 8.35 0.84 5.4613e-01 15487 1 1 1 1 42 TRP HA 4.021 . 4.74 0.55 1.9112e-01 15487 1 1 1 1 42 TRP HB2 3.084 . 3.22 0.36 7.0560e-01 15487 1 1 1 1 42 TRP HB3 3.364 . 3.18 0.36 6.0927e-01 15487 1 1 1 1 42 TRP HD1 7.489 . 7.16 0.34 3.3322e-01 15487 1 1 1 1 42 TRP HE1 10.212 . 10.13 0.53 8.7704e-01 15487 1 1 1 1 42 TRP HZ2 7.408 . 7.14 0.89 7.6332e-01 15487 1 1 1 1 42 TRP HZ3 7.117 . 6.68 1.02 6.6834e-01 15487 1 1 1 1 42 TRP HH2 6.892 . 6.82 0.94 9.3895e-01 15487 1 1 1 1 42 TRP N 119.811 . 121.87 4.58 6.5303e-01 15487 1 1 1 1 42 TRP NE1 130.160 . 129.48 2.56 7.9053e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15487 1 1 1 1 42 TRP CYS 0.98 15487 1 1 1 1 42 TRP TRP 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15487 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 15487 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 15487 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15487 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15487 _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_