data_AVS_bmrb_pdb_report_16266 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16266 _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 22 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16266 1 1 1 3 1 ZN UNSUPPORTED . . . . . . . 16266 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 22 PHE C 177.468 . 175.49 2.13 3.5308e-01 16266 1 1 1 2 22 PHE CA 62.907 . 58.25 2.73 8.8034e-02 16266 1 1 1 2 22 PHE CB 35.864 . 39.95 2.04 4.5184e-02 16266 1 1 1 2 22 PHE H 7.891 . 8.42 0.74 4.7469e-01 16266 1 1 1 2 22 PHE HA 3.537 . 4.62 0.58 6.1868e-02 16266 1 1 1 2 22 PHE HB2 1.266 S 2.99 0.37 3.1704e-06 16266 1 1 1 2 22 PHE HB3 0.454 A 2.97 0.38 3.5665e-11 16266 1 1 1 2 22 PHE HD1 7.037 . 6.91 0.82 8.7692e-01 16266 1 1 1 2 22 PHE HE1 7.903 . 6.95 0.82 2.4516e-01 16266 1 1 1 2 22 PHE N 116.746 . 120.69 4.18 3.4540e-01 16266 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 22 PHE ILE 0.35 16266 1 1 1 2 22 PHE CYS 0.24 16266 1 1 1 2 22 PHE VAL 0.22 16266 1 1 1 2 22 PHE TYR 0.05 16266 1 1 1 2 22 PHE GLU 0.03 16266 1 1 1 2 22 PHE PHE 0.02 16266 1 1 1 2 22 PHE PRO 0.02 16266 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16266 _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 16266 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16266 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16266 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16266 _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_