data_AVS_bmrb_pdb_report_15970 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15970 _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 76 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15970 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 76 ILE C 174.89 . 175.82 1.95 6.3342e-01 15970 1 1 1 1 76 ILE CA 62.51 . 61.59 2.78 7.4069e-01 15970 1 1 1 1 76 ILE CB 39.69 . 38.58 2.09 5.9535e-01 15970 1 1 1 1 76 ILE CG1 27.02 . 27.65 2.32 7.8597e-01 15970 1 1 1 1 76 ILE CG2 17.93 . 17.36 1.6 7.2165e-01 15970 1 1 1 1 76 ILE CD1 14.00 . 13.41 1.91 7.5740e-01 15970 1 1 1 1 76 ILE H 7.32 . 8.26 0.71 1.8552e-01 15970 1 1 1 1 76 ILE HA 3.87 . 4.2 0.56 5.5567e-01 15970 1 1 1 1 76 ILE HB 1.82 . 1.8 0.31 9.4856e-01 15970 1 1 1 1 76 ILE HG21 1.80 A 0.8 0.29 5.6418e-04 15970 1 1 1 1 76 ILE HG22 1.80 A 0.8 0.29 5.6418e-04 15970 1 1 1 1 76 ILE HG23 1.80 A 0.8 0.29 5.6418e-04 15970 1 1 1 1 76 ILE HD11 0.59 . 0.7 0.3 7.1387e-01 15970 1 1 1 1 76 ILE HD12 0.59 . 0.7 0.3 7.1387e-01 15970 1 1 1 1 76 ILE HD13 0.59 . 0.7 0.3 7.1387e-01 15970 1 1 1 1 76 ILE N 119.40 . 121.6 4.72 6.4114e-01 15970 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 76 ILE ILE 0.8 15970 1 1 1 1 76 ILE CYS 0.19 15970 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15970 _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 15970 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15970 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15970 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15970 _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_