data_AVS_bmrb_pdb_report_16590 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16590 _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 19 PHE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16590 1 1 1 1 40 PHE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16590 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 19 PHE CA 61.089 . 58.25 2.73 2.9837e-01 16590 1 1 1 1 19 PHE CB 38.648 . 39.95 2.04 5.2332e-01 16590 1 1 1 1 19 PHE CE1 139.048 A 130.48 1.29 3.0975e-11 16590 1 1 1 1 19 PHE H 8.659 . 8.42 0.74 7.4672e-01 16590 1 1 1 1 19 PHE HA 3.789 . 4.62 0.58 1.5193e-01 16590 1 1 1 1 19 PHE HB2 2.779 . 2.99 0.37 5.6849e-01 16590 1 1 1 1 19 PHE HB3 2.571 . 2.97 0.38 2.9372e-01 16590 1 1 1 1 19 PHE HE1 6.643 . 6.95 0.82 7.0811e-01 16590 1 1 1 1 19 PHE HE2 6.643 . 6.94 0.86 7.2983e-01 16590 1 1 1 1 19 PHE N 120.349 . 120.69 4.18 9.3498e-01 16590 1 1 1 1 40 PHE CA 61.601 . 58.25 2.73 2.1964e-01 16590 1 1 1 1 40 PHE CB 38.890 . 39.95 2.04 6.0334e-01 16590 1 1 1 1 40 PHE CD1 136.728 A 131.38 1.38 1.0647e-04 16590 1 1 1 1 40 PHE CE1 138.885 A 130.48 1.29 7.2446e-11 16590 1 1 1 1 40 PHE H 8.608 . 8.42 0.74 7.9945e-01 16590 1 1 1 1 40 PHE HA 4.056 . 4.62 0.58 3.3084e-01 16590 1 1 1 1 40 PHE HB2 3.243 . 2.99 0.37 4.9411e-01 16590 1 1 1 1 40 PHE HB3 3.179 . 2.97 0.38 5.8232e-01 16590 1 1 1 1 40 PHE HD1 6.986 . 6.91 0.82 9.2616e-01 16590 1 1 1 1 40 PHE HE1 7.048 . 6.95 0.82 9.0487e-01 16590 1 1 1 1 40 PHE HE2 7.048 . 6.94 0.86 9.0006e-01 16590 1 1 1 1 40 PHE N 120.367 . 120.69 4.18 9.3841e-01 16590 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 19 PHE TYR 0.97 16590 1 1 1 1 19 PHE HIS 0.02 16590 1 1 1 1 40 PHE TYR 0.79 16590 1 1 1 1 40 PHE HIS 0.17 16590 1 1 1 1 40 PHE GLY 0.02 16590 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16590 _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 16590 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16590 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16590 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16590 _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_