data_AVS_bmrb_pdb_report_16887 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16887 _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 8 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16887 1 1 1 1 85 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16887 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 8 ARG CA 51.974 . 56.95 2.41 3.8949e-02 16887 1 1 1 1 8 ARG CB 24.455 A 30.66 1.77 4.5549e-04 16887 1 1 1 1 8 ARG CG 30.125 . 27.31 1.65 8.7997e-02 16887 1 1 1 1 8 ARG H 8.312 . 8.24 0.6 9.0448e-01 16887 1 1 1 1 8 ARG HA 4.506 . 4.27 0.44 5.9171e-01 16887 1 1 1 1 8 ARG HB2 1.528 . 1.79 0.28 3.4942e-01 16887 1 1 1 1 8 ARG HG2 1.826 . 1.58 0.27 3.6224e-01 16887 1 1 1 1 8 ARG HG3 1.720 . 1.58 0.27 6.0410e-01 16887 1 1 1 1 8 ARG N 120.125 . 120.61 3.9 9.0103e-01 16887 1 1 1 1 85 TRP CA 61.892 . 57.71 2.65 1.1454e-01 16887 1 1 1 1 85 TRP CB 27.031 . 30.16 2.19 1.5307e-01 16887 1 1 1 1 85 TRP CD1 122.719 . 126.16 1.76 5.0570e-02 16887 1 1 1 1 85 TRP CZ2 110.151 A 114.19 1.09 2.1097e-04 16887 1 1 1 1 85 TRP CZ3 118.221 . 121.57 1.76 5.7061e-02 16887 1 1 1 1 85 TRP H 8.916 . 8.35 0.84 5.0043e-01 16887 1 1 1 1 85 TRP HA 3.751 . 4.74 0.55 7.2148e-02 16887 1 1 1 1 85 TRP HB2 3.643 . 3.22 0.36 2.3999e-01 16887 1 1 1 1 85 TRP HB3 2.939 . 3.18 0.36 5.0321e-01 16887 1 1 1 1 85 TRP HD1 7.186 . 7.16 0.34 9.3904e-01 16887 1 1 1 1 85 TRP HE1 10.066 . 10.13 0.53 9.0389e-01 16887 1 1 1 1 85 TRP HZ2 6.836 . 7.14 0.89 7.3267e-01 16887 1 1 1 1 85 TRP HZ3 6.689 . 6.68 1.02 9.9296e-01 16887 1 1 1 1 85 TRP N 119.812 . 121.87 4.58 6.5318e-01 16887 1 1 1 1 85 TRP NE1 127.937 . 129.48 2.56 5.4669e-01 16887 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 8 ARG CYS 0.52 16887 1 1 1 1 8 ARG LYS 0.28 16887 1 1 1 1 8 ARG PRO 0.06 16887 1 1 1 1 8 ARG MET 0.05 16887 1 1 1 1 8 ARG LEU 0.04 16887 1 1 1 1 8 ARG ALA 0.02 16887 1 1 1 1 85 TRP CYS 0.99 16887 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16887 _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 16887 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16887 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16887 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16887 _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_