data_AVS_bmrb_pdb_report_11098 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11098 _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 31 TRP Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE1 > HD1" 0.9930 11098 1 1 1 1 31 TRP . . . . . . "HE1 > HZ3" 0.9924 11098 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 31 TRP C 172.560 . 176.1 1.89 6.1066e-02 11098 1 1 1 1 31 TRP CA 57.302 . 57.71 2.65 8.7764e-01 11098 1 1 1 1 31 TRP CB 29.406 . 30.16 2.19 7.3063e-01 11098 1 1 1 1 31 TRP CD1 124.997 . 126.16 1.76 5.0874e-01 11098 1 1 1 1 31 TRP CE3 120.381 . 120.38 1.5 9.9947e-01 11098 1 1 1 1 31 TRP CZ2 113.622 . 114.19 1.09 6.0230e-01 11098 1 1 1 1 31 TRP CZ3 119.884 . 121.57 1.76 3.3809e-01 11098 1 1 1 1 31 TRP CH2 123.012 . 123.75 1.34 5.8181e-01 11098 1 1 1 1 31 TRP H 7.414 . 8.35 0.84 2.6516e-01 11098 1 1 1 1 31 TRP HA 4.782 . 4.74 0.55 9.3913e-01 11098 1 1 1 1 31 TRP HB2 3.372 . 3.22 0.36 6.7286e-01 11098 1 1 1 1 31 TRP HB3 2.941 . 3.18 0.36 5.0676e-01 11098 1 1 1 1 31 TRP HD1 6.164 . 7.16 0.34 3.3960e-03 11098 1 1 1 1 31 TRP HE1 6.066 A 10.13 0.53 1.7480e-14 11098 1 1 1 1 31 TRP HE3 6.747 . 7.17 1.03 6.8131e-01 11098 1 1 1 1 31 TRP HZ2 6.913 . 7.14 0.89 7.9868e-01 11098 1 1 1 1 31 TRP HZ3 6.354 . 6.68 1.02 7.4927e-01 11098 1 1 1 1 31 TRP HH2 6.529 . 6.82 0.94 7.5688e-01 11098 1 1 1 1 31 TRP N 117.418 . 121.87 4.58 3.3102e-01 11098 1 1 1 1 31 TRP NE1 124.212 . 129.48 2.56 3.9608e-02 11098 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 31 TRP TRP 0.98 11098 1 1 1 1 31 TRP HIS 0.01 11098 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11098 _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 11098 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11098 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11098 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11098 _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_