data_AVS_bmrb_pdb_report_17249 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17249 _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 1 100 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17249 1 1 1 2 1 CA UNSUPPORTED . . . . . . . 17249 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 1 100 PHE C 176.6 . 175.49 2.13 6.0228e-01 17249 1 1 1 1 100 PHE CA 56.3 . 58.25 2.73 4.7505e-01 17249 1 1 1 1 100 PHE CB 40.0 . 39.95 2.04 9.8045e-01 17249 1 1 1 1 100 PHE CD1 130.9 . 131.38 1.38 7.2797e-01 17249 1 1 1 1 100 PHE CE1 133.5 A 130.48 1.29 1.9228e-02 17249 1 1 1 1 100 PHE H 6.45 . 8.42 0.74 7.7640e-03 17249 1 1 1 1 100 PHE HA 5.44 . 4.62 0.58 1.5742e-01 17249 1 1 1 1 100 PHE HB2 3.19 . 2.99 0.37 5.8882e-01 17249 1 1 1 1 100 PHE HB3 2.73 . 2.97 0.38 5.2766e-01 17249 1 1 1 1 100 PHE HD1 6.83 . 6.91 0.82 9.2228e-01 17249 1 1 1 1 100 PHE HE1 6.88 . 6.95 0.82 9.3197e-01 17249 1 1 1 1 100 PHE N 116.6 . 120.69 4.18 3.2784e-01 17249 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 1 100 PHE TYR 0.49 17249 1 1 1 1 100 PHE CYS 0.39 17249 1 1 1 1 100 PHE PHE 0.11 17249 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17249 _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 17249 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17249 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17249 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17249 _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_