data_AVS_bmrb_pdb_report_10262 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10262 _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 23 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 10262 1 1 1 1 29 TRP Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE1 > HD1" 0.9930 10262 1 1 1 1 29 TRP . . . . . . "HE1 > HZ3" 0.9924 10262 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 23 ARG C 176.554 . 176.49 2.16 9.7636e-01 10262 1 1 1 1 23 ARG CA 53.892 . 56.95 2.41 2.0448e-01 10262 1 1 1 1 23 ARG CB 33.498 . 30.66 1.77 1.0885e-01 10262 1 1 1 1 23 ARG CG 28.019 . 27.31 1.65 6.6742e-01 10262 1 1 1 1 23 ARG CD 43.371 . 43.1 1.1 8.0540e-01 10262 1 1 1 1 23 ARG H 6.621 . 8.24 0.6 6.9688e-03 10262 1 1 1 1 23 ARG HA 4.591 . 4.27 0.44 4.6567e-01 10262 1 1 1 1 23 ARG HB2 2.154 . 1.79 0.28 1.9360e-01 10262 1 1 1 1 23 ARG HB3 1.483 . 1.78 0.28 2.8882e-01 10262 1 1 1 1 23 ARG HG2 1.602 . 1.58 0.27 9.3506e-01 10262 1 1 1 1 23 ARG HG3 1.504 . 1.58 0.27 7.7834e-01 10262 1 1 1 1 23 ARG HD2 3.252 . 3.13 0.23 5.9581e-01 10262 1 1 1 1 23 ARG HD3 3.134 . 3.13 0.22 9.8549e-01 10262 1 1 1 1 23 ARG N 102.938 A 120.61 3.9 5.8627e-06 10262 1 1 1 1 29 TRP C 174.013 . 176.1 1.89 2.6949e-01 10262 1 1 1 1 29 TRP CA 56.626 . 57.71 2.65 6.8250e-01 10262 1 1 1 1 29 TRP CB 29.487 . 30.16 2.19 7.5861e-01 10262 1 1 1 1 29 TRP CD1 126.556 . 126.16 1.76 8.2198e-01 10262 1 1 1 1 29 TRP CE3 119.887 . 120.38 1.5 7.4241e-01 10262 1 1 1 1 29 TRP CZ2 114.425 . 114.19 1.09 8.2930e-01 10262 1 1 1 1 29 TRP CZ3 121.357 . 121.57 1.76 9.0367e-01 10262 1 1 1 1 29 TRP CH2 123.355 . 123.75 1.34 7.6816e-01 10262 1 1 1 1 29 TRP H 7.395 . 8.35 0.84 2.5558e-01 10262 1 1 1 1 29 TRP HA 4.915 . 4.74 0.55 7.5035e-01 10262 1 1 1 1 29 TRP HB2 3.370 . 3.22 0.36 6.7692e-01 10262 1 1 1 1 29 TRP HB3 3.095 . 3.18 0.36 8.1335e-01 10262 1 1 1 1 29 TRP HD1 6.812 . 7.16 0.34 3.0606e-01 10262 1 1 1 1 29 TRP HE1 5.724 A 10.13 0.53 9.3149e-17 10262 1 1 1 1 29 TRP HE3 6.846 . 7.17 1.03 7.5309e-01 10262 1 1 1 1 29 TRP HZ2 6.585 . 7.14 0.89 5.3289e-01 10262 1 1 1 1 29 TRP HZ3 6.592 . 6.68 1.02 9.3125e-01 10262 1 1 1 1 29 TRP HH2 6.487 . 6.82 0.94 7.2315e-01 10262 1 1 1 1 29 TRP N 115.623 . 121.87 4.58 1.7258e-01 10262 1 1 1 1 29 TRP NE1 123.938 . 129.48 2.56 3.0400e-02 10262 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 23 ARG CYS 0.41 10262 1 1 1 1 23 ARG ARG 0.24 10262 1 1 1 1 23 ARG LYS 0.22 10262 1 1 1 1 23 ARG GLY 0.11 10262 1 1 1 1 29 TRP TRP 0.55 10262 1 1 1 1 29 TRP CYS 0.42 10262 1 1 1 1 29 TRP HIS 0.02 10262 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10262 _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 10262 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10262 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10262 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10262 _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_