data_AVS_bmrb_pdb_report_131 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 131 _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 . . 131 1 1 1 1 34 GLY Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 131 1 1 1 1 51 TYR Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 131 1 1 1 1 85 MET Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HA > HG2" 0.9982 131 1 1 1 2 1 HEC UNSUPPORTED . . . . . . . 131 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 6.55 . 8.24 0.68 1.2944e-02 131 1 1 1 1 23 HIS HA 3.57 . 4.61 0.43 1.5580e-02 131 1 1 1 1 23 HIS HB2 .78 S 3.1 0.36 1.1602e-10 131 1 1 1 1 23 HIS HB3 2 . 3.04 0.38 6.2032e-03 131 1 1 1 1 23 HIS HD1 9.59 . 8.68 2.62 7.2834e-01 131 1 1 1 1 23 HIS HD2 .12 A 7 0.43 1.2778e-57 131 1 1 1 1 23 HIS HE1 .52 A 7.95 0.48 4.7965e-54 131 1 1 1 1 34 GLY H 7.66 . 8.33 0.65 3.0265e-01 131 1 1 1 1 34 GLY HA2 .03 A 3.97 0.37 1.7691e-26 131 1 1 1 1 34 GLY HA3 3.65 . 3.9 0.37 4.9925e-01 131 1 1 1 1 51 TYR HD1 6.23 . 6.93 0.3 1.9631e-02 131 1 1 1 1 51 TYR HD2 4.77 A 6.93 0.3 6.0213e-13 131 1 1 1 1 51 TYR HE1 6.23 . 6.7 0.23 4.1005e-02 131 1 1 1 1 51 TYR HE2 6.88 . 6.71 0.23 4.5983e-01 131 1 1 1 1 85 MET H 7.06 . 8.26 0.6 4.5500e-02 131 1 1 1 1 85 MET HA 3.01 . 4.41 0.48 3.5379e-03 131 1 1 1 1 85 MET HB2 -.22 S 2.03 0.34 3.6496e-11 131 1 1 1 1 85 MET HB3 -2.43 A 1.99 0.34 1.2234e-38 131 1 1 1 1 85 MET HG2 3.73 S 2.42 0.35 1.8194e-04 131 1 1 1 1 85 MET HG3 1.76 . 2.39 0.38 9.7339e-02 131 1 1 1 1 85 MET HE1 -3.14 A 1.89 0.46 7.8594e-28 131 1 1 1 1 85 MET HE2 -3.14 A 1.89 0.46 7.8594e-28 131 1 1 1 1 85 MET HE3 -3.14 A 1.89 0.46 7.8594e-28 131 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 131 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 131 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 131 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 131 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 131 _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_