data_AVS_bmrb_pdb_report_17541 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17541 _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 9 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 17541 1 1 1 1 20 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 17541 1 1 1 1 30 ASP Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HA > HB2" 0.9995 17541 1 1 1 1 30 ASP . . . . . . "HA > HB3" 0.9997 17541 1 1 1 2 5 SEP UNSUPPORTED . . . . . . . 17541 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 9 ARG H 8.182 . 8.24 0.6 9.2299e-01 17541 1 1 1 1 9 ARG HA 4.227 . 4.27 0.44 9.2215e-01 17541 1 1 1 1 9 ARG HB2 0.432 S 1.79 0.28 1.2346e-06 17541 1 1 1 1 9 ARG HB3 -0.290 A 1.78 0.28 1.4371e-13 17541 1 1 1 1 9 ARG HG2 1.111 . 1.58 0.27 8.2381e-02 17541 1 1 1 1 9 ARG HG3 0.945 . 1.58 0.27 1.8680e-02 17541 1 1 1 1 9 ARG HD2 2.959 . 3.13 0.23 4.5719e-01 17541 1 1 1 1 9 ARG HD3 2.733 . 3.13 0.22 7.1146e-02 17541 1 1 1 1 20 HIS H 8.653 . 8.25 0.74 5.8603e-01 17541 1 1 1 1 20 HIS HA 4.220 . 4.62 0.51 4.3286e-01 17541 1 1 1 1 20 HIS HB2 3.003 . 3.12 0.43 7.8555e-01 17541 1 1 1 1 20 HIS HB3 2.296 . 3.11 0.45 7.0468e-02 17541 1 1 1 1 20 HIS HD1 5.793 A 10.14 3.5 2.1424e-01 17541 1 1 1 1 20 HIS HE1 7.502 . 8.08 0.57 3.1057e-01 17541 1 1 1 1 30 ASP H 8.139 . 8.33 0.57 7.3756e-01 17541 1 1 1 1 30 ASP HA 2.373 A 4.61 0.31 5.3488e-13 17541 1 1 1 1 30 ASP HB2 2.982 . 2.74 0.29 4.0401e-01 17541 1 1 1 1 30 ASP HB3 2.661 . 2.7 0.29 8.9302e-01 17541 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17541 _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 17541 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17541 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17541 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17541 _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_