data_AVS_bmrb_pdb_report_17904 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17904 _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 HIS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 17904 1 1 1 1 34 GLY Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 17904 1 1 1 1 85 MET Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 17904 1 1 1 2 1 HEC UNSUPPORTED . . . . . . . 17904 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 HIS H 6.626 . 8.25 0.74 2.8193e-02 17904 1 1 1 1 23 HIS HA 3.530 . 4.62 0.51 3.2577e-02 17904 1 1 1 1 23 HIS HB2 0.765 S 3.12 0.43 4.3322e-08 17904 1 1 1 1 23 HIS HB3 1.032 S 3.11 0.45 3.8787e-06 17904 1 1 1 1 23 HIS HD1 9.676 . 10.14 3.5 8.9453e-01 17904 1 1 1 1 23 HIS HD2 -0.058 A 7.08 0.5 3.0883e-46 17904 1 1 1 1 34 GLY H 7.759 . 8.34 0.74 4.3237e-01 17904 1 1 1 1 34 GLY HA2 -0.032 A 3.95 0.4 2.3982e-23 17904 1 1 1 1 34 GLY HA3 3.563 . 3.93 0.4 3.5888e-01 17904 1 1 1 1 85 MET H 7.058 . 8.26 0.6 4.5142e-02 17904 1 1 1 1 85 MET HA 3.102 . 4.39 0.46 5.1103e-03 17904 1 1 1 1 85 MET HB2 -2.402 A 2.03 0.38 1.9661e-31 17904 1 1 1 1 85 MET HB3 -0.477 S 2.01 0.36 4.9038e-12 17904 1 1 1 1 85 MET HG2 -3.760 A 2.44 0.36 1.8091e-66 17904 1 1 1 1 85 MET HG3 -2.531 A 2.41 0.4 4.7221e-35 17904 1 1 1 1 85 MET HE1 -3.745 A 1.86 0.47 8.7126e-33 17904 1 1 1 1 85 MET HE2 -3.745 A 1.86 0.47 8.7126e-33 17904 1 1 1 1 85 MET HE3 -3.745 A 1.86 0.47 8.7126e-33 17904 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17904 _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 17904 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17904 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17904 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17904 _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_