data_AVS_bmrb_pdb_report_15759 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15759 _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 23 ILE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15759 1 1 1 1 27 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15759 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 23 ILE CA 60.97 . 61.59 2.78 8.2352e-01 15759 1 1 1 1 23 ILE CB 44.64 A 38.58 2.09 3.7373e-03 15759 1 1 1 1 23 ILE H 8.13 . 8.26 0.71 8.5472e-01 15759 1 1 1 1 23 ILE N 118.67 . 121.6 4.72 5.3476e-01 15759 1 1 1 1 27 TRP CA 57.38 . 57.71 2.65 9.0090e-01 15759 1 1 1 1 27 TRP CB 30.03 . 30.16 2.19 9.5267e-01 15759 1 1 1 1 27 TRP H 7.49 . 8.35 0.84 3.0593e-01 15759 1 1 1 1 27 TRP HE1 6.38 A 10.13 0.53 1.4894e-12 15759 1 1 1 1 27 TRP N 116.38 . 121.87 4.58 2.3065e-01 15759 1 1 1 1 27 TRP NE1 122.98 . 129.48 2.56 1.1115e-02 15759 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 23 ILE GLY 0.79 15759 1 1 1 1 23 ILE ARG 0.11 15759 1 1 1 1 23 ILE LEU 0.03 15759 1 1 1 1 23 ILE TYR 0.03 15759 1 1 1 1 23 ILE ILE 0.01 15759 1 1 1 1 27 TRP GLU 0.24 15759 1 1 1 1 27 TRP TRP 0.24 15759 1 1 1 1 27 TRP ARG 0.22 15759 1 1 1 1 27 TRP GLN 0.2 15759 1 1 1 1 27 TRP ILE 0.04 15759 1 1 1 1 27 TRP VAL 0.02 15759 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15759 _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 15759 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15759 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15759 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15759 _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_