data_AVS_bmrb_pdb_report_10236 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10236 _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 2 84 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10236 1 1 1 2 95 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10236 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 2 84 PHE C 172.969 . 175.49 2.13 2.3658e-01 10236 1 1 1 2 84 PHE CA 57.702 . 58.25 2.73 8.4091e-01 10236 1 1 1 2 84 PHE CB 39.429 . 39.95 2.04 7.9842e-01 10236 1 1 1 2 84 PHE CD1 131.581 . 131.38 1.38 8.8420e-01 10236 1 1 1 2 84 PHE CD2 131.581 . 131.33 1.48 8.6533e-01 10236 1 1 1 2 84 PHE CE1 131.249 . 130.48 1.29 5.5109e-01 10236 1 1 1 2 84 PHE CE2 131.249 . 130.6 0.97 5.0345e-01 10236 1 1 1 2 84 PHE H 8.224 . 8.42 0.74 7.9111e-01 10236 1 1 1 2 84 PHE HA 5.063 . 4.62 0.58 4.4499e-01 10236 1 1 1 2 84 PHE HB2 4.461 A 2.99 0.37 7.0180e-05 10236 1 1 1 2 84 PHE HB3 2.971 . 2.97 0.38 9.9790e-01 10236 1 1 1 2 84 PHE HD1 7.428 . 6.91 0.82 5.2758e-01 10236 1 1 1 2 84 PHE HD2 7.428 . 6.89 0.86 5.3159e-01 10236 1 1 1 2 84 PHE HE1 7.346 . 6.95 0.82 6.2915e-01 10236 1 1 1 2 84 PHE HE2 7.346 . 6.94 0.86 6.3686e-01 10236 1 1 1 2 84 PHE N 115.735 . 120.69 4.18 2.3586e-01 10236 1 1 1 2 95 HIS C 176.312 . 175.19 2.14 6.0007e-01 10236 1 1 1 2 95 HIS CA 58.150 . 56.37 2.4 4.5829e-01 10236 1 1 1 2 95 HIS CB 25.814 . 29.95 2.15 5.4390e-02 10236 1 1 1 2 95 HIS CD2 121.166 . 119.84 3.3 6.8782e-01 10236 1 1 1 2 95 HIS CE1 134.680 . 136.05 3.58 7.0196e-01 10236 1 1 1 2 95 HIS H 9.007 . 8.25 0.74 3.0632e-01 10236 1 1 1 2 95 HIS HA 3.941 . 4.62 0.51 1.8307e-01 10236 1 1 1 2 95 HIS HB2 1.458 S 3.12 0.43 1.1104e-04 10236 1 1 1 2 95 HIS HB3 0.649 A 3.11 0.45 4.5287e-08 10236 1 1 1 2 95 HIS HD2 7.026 . 7.08 0.5 9.1400e-01 10236 1 1 1 2 95 HIS HE1 8.632 . 8.08 0.57 3.3283e-01 10236 1 1 1 2 95 HIS N 117.184 . 119.44 4.52 6.1770e-01 10236 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 2 84 PHE PHE 0.41 10236 1 1 1 2 84 PHE CYS 0.3 10236 1 1 1 2 84 PHE TYR 0.27 10236 1 1 1 2 95 HIS CYS 0.42 10236 1 1 1 2 95 HIS HIS 0.3 10236 1 1 1 2 95 HIS TRP 0.27 10236 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10236 _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 10236 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10236 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10236 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10236 _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_