data_AVS_bmrb_pdb_report_16989 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16989 _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 26 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16989 1 1 1 1 49 PHE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16989 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 26 PHE C 175.668 . 175.49 2.13 9.3340e-01 16989 1 1 1 1 26 PHE CA 60.366 . 58.25 2.73 4.3829e-01 16989 1 1 1 1 26 PHE CB 40.681 . 39.95 2.04 7.2009e-01 16989 1 1 1 1 26 PHE CD1 131.786 . 131.38 1.38 7.6860e-01 16989 1 1 1 1 26 PHE CD2 138.249 A 131.33 1.48 2.9395e-06 16989 1 1 1 1 26 PHE CE1 128.433 . 130.48 1.29 1.1255e-01 16989 1 1 1 1 26 PHE CE2 130.838 . 130.6 0.97 8.0618e-01 16989 1 1 1 1 26 PHE H 7.825 . 8.42 0.74 4.2137e-01 16989 1 1 1 1 26 PHE HA 4.972 . 4.62 0.58 5.4392e-01 16989 1 1 1 1 26 PHE HB2 3.403 . 2.99 0.37 2.6433e-01 16989 1 1 1 1 26 PHE HB3 2.854 . 2.97 0.38 7.6017e-01 16989 1 1 1 1 26 PHE HD1 7.683 . 6.91 0.82 3.4584e-01 16989 1 1 1 1 26 PHE HD2 7.688 . 6.89 0.86 3.5346e-01 16989 1 1 1 1 26 PHE HE1 6.898 . 6.95 0.82 9.4944e-01 16989 1 1 1 1 26 PHE HE2 6.886 . 6.94 0.86 9.4993e-01 16989 1 1 1 1 26 PHE N 112.300 . 120.69 4.18 4.4731e-02 16989 1 1 1 1 49 PHE C 171.627 . 175.49 2.13 6.9737e-02 16989 1 1 1 1 49 PHE CA 54.871 . 58.25 2.73 2.1582e-01 16989 1 1 1 1 49 PHE CB 42.074 . 39.95 2.04 2.9779e-01 16989 1 1 1 1 49 PHE CD1 132.679 . 131.38 1.38 3.4655e-01 16989 1 1 1 1 49 PHE CE1 139.018 A 130.48 1.29 3.6261e-11 16989 1 1 1 1 49 PHE H 6.995 . 8.42 0.74 5.4145e-02 16989 1 1 1 1 49 PHE HA 5.555 . 4.62 0.58 1.0695e-01 16989 1 1 1 1 49 PHE HB2 2.906 . 2.99 0.37 8.2040e-01 16989 1 1 1 1 49 PHE HB3 2.541 . 2.97 0.38 2.5892e-01 16989 1 1 1 1 49 PHE HD1 6.628 . 6.91 0.82 7.3092e-01 16989 1 1 1 1 49 PHE HD2 6.628 . 6.89 0.86 7.6063e-01 16989 1 1 1 1 49 PHE HE1 7.251 . 6.95 0.82 7.1356e-01 16989 1 1 1 1 49 PHE HE2 7.251 . 6.94 0.86 7.1763e-01 16989 1 1 1 1 49 PHE N 114.999 . 120.69 4.18 1.7336e-01 16989 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 26 PHE TYR 0.97 16989 1 1 1 1 26 PHE GLY 0.02 16989 1 1 1 1 49 PHE GLY 0.8 16989 1 1 1 1 49 PHE TYR 0.19 16989 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16989 _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 16989 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16989 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16989 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16989 _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_