data_AVS_bmrb_pdb_report_18302 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18302 _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 2 8 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18302 1 1 1 3 1 CA UNSUPPORTED . . . . . . . 18302 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 2 8 TRP C 178.3770 . 176.12 2.01 2.6149e-01 18302 1 1 1 2 8 TRP CA 61.6650 . 57.66 2.58 1.2058e-01 18302 1 1 1 2 8 TRP CB 29.3880 . 30.01 2.01 7.5698e-01 18302 1 1 1 2 8 TRP H 8.7320 . 8.29 0.79 5.7582e-01 18302 1 1 1 2 8 TRP HA 4.5970 . 4.68 0.53 8.7556e-01 18302 1 1 1 2 8 TRP HB2 3.0170 . 3.19 0.35 6.2110e-01 18302 1 1 1 2 8 TRP HB3 3.1070 . 3.12 0.36 9.7119e-01 18302 1 1 1 2 8 TRP HD1 7.3180 . 7.14 0.36 6.2099e-01 18302 1 1 1 2 8 TRP HE3 9.9490 A 7.31 0.41 1.2219e-10 18302 1 1 1 2 8 TRP HZ2 6.9020 . 7.28 0.33 2.5202e-01 18302 1 1 1 2 8 TRP HZ3 5.8070 . 6.86 0.4 8.4759e-03 18302 1 1 1 2 8 TRP HH2 6.5820 . 6.98 0.39 3.0749e-01 18302 1 1 1 2 8 TRP N 123.1320 . 121.68 4.18 7.2831e-01 18302 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 2 8 TRP ILE 0.3 18302 1 1 1 2 8 TRP CYS 0.26 18302 1 1 1 2 8 TRP TRP 0.14 18302 1 1 1 2 8 TRP VAL 0.08 18302 1 1 1 2 8 TRP GLU 0.05 18302 1 1 1 2 8 TRP LYS 0.04 18302 1 1 1 2 8 TRP ARG 0.04 18302 1 1 1 2 8 TRP PRO 0.03 18302 1 1 1 2 8 TRP GLN 0.02 18302 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18302 _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 18302 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18302 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18302 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18302 _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_