data_AVS_bmrb_pdb_report_16701 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16701 _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 1 147 ARG Anomalous Suspicious Consistent Indeterminable Anomalous Indeterminable . . 16701 1 1 1 1 160 ARG Anomalous Suspicious Consistent Indeterminable Anomalous Indeterminable . . 16701 1 1 1 1 230 TRP Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HA" 1.0000 16701 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 1 147 ARG C 175.444 . 176.49 2.16 6.2820e-01 16701 1 1 1 1 147 ARG CB 43.894 A 30.66 1.77 7.6133e-14 16701 1 1 1 1 160 ARG C 175.661 . 176.49 2.16 7.0113e-01 16701 1 1 1 1 160 ARG CA 31.538 A 56.95 2.41 5.3917e-26 16701 1 1 1 1 160 ARG CB 28.529 . 30.66 1.77 2.2861e-01 16701 1 1 1 1 230 TRP C 177.149 . 176.1 1.89 5.7888e-01 16701 1 1 1 1 230 TRP CB 29.023 . 30.16 2.19 6.0364e-01 16701 1 1 1 1 230 TRP H 7.743 . 8.35 0.84 4.6991e-01 16701 1 1 1 1 230 TRP HA 11.414 A 4.74 0.55 6.9294e-34 16701 1 1 1 1 230 TRP N 121.416 . 121.87 4.58 9.2104e-01 16701 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 1 147 ARG LEU 0.45 16701 1 1 1 1 147 ARG GLY 0.34 16701 1 1 1 1 147 ARG ASP 0.06 16701 1 1 1 1 147 ARG PHE 0.05 16701 1 1 1 1 147 ARG TYR 0.03 16701 1 1 1 1 147 ARG LYS 0.03 16701 1 1 1 1 147 ARG ILE 0.01 16701 1 1 1 1 160 ARG LYS 0.5 16701 1 1 1 1 160 ARG PRO 0.31 16701 1 1 1 1 160 ARG MET 0.08 16701 1 1 1 1 160 ARG GLN 0.08 16701 1 1 1 1 230 TRP GLN 0.19 16701 1 1 1 1 230 TRP LYS 0.17 16701 1 1 1 1 230 TRP HIS 0.13 16701 1 1 1 1 230 TRP TRP 0.12 16701 1 1 1 1 230 TRP GLU 0.11 16701 1 1 1 1 230 TRP ILE 0.11 16701 1 1 1 1 230 TRP ARG 0.07 16701 1 1 1 1 230 TRP PRO 0.02 16701 1 1 1 1 230 TRP MET 0.01 16701 1 1 1 1 230 TRP LEU 0.01 16701 1 1 1 1 230 TRP VAL 0.01 16701 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16701 _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 16701 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16701 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16701 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16701 _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_