data_AVS_bmrb_pdb_report_19994 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19994 _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 5 LEU Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 19994 1 1 1 1 62 MET Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 19994 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 5 LEU CD2 54.736 A 24.05 1.7 7.8055e-73 19994 1 1 1 1 5 LEU H 8.505 . 8.23 0.65 6.7224e-01 19994 1 1 1 1 5 LEU HA 4.455 . 4.32 0.47 7.7393e-01 19994 1 1 1 1 5 LEU HB2 1.797 . 1.61 0.34 5.8232e-01 19994 1 1 1 1 5 LEU HB3 1.761 . 1.52 0.36 5.0321e-01 19994 1 1 1 1 5 LEU HG 1.512 . 1.51 0.33 9.9516e-01 19994 1 1 1 1 5 LEU HD11 1.194 . 0.75 0.28 1.1280e-01 19994 1 1 1 1 5 LEU HD12 1.194 . 0.75 0.28 1.1280e-01 19994 1 1 1 1 5 LEU HD13 1.194 . 0.75 0.28 1.1280e-01 19994 1 1 1 1 5 LEU HD21 0.896 . 0.73 0.29 5.6704e-01 19994 1 1 1 1 5 LEU HD22 0.896 . 0.73 0.29 5.6704e-01 19994 1 1 1 1 5 LEU HD23 0.896 . 0.73 0.29 5.6704e-01 19994 1 1 1 1 5 LEU N 123.244 . 121.86 3.9 7.2269e-01 19994 1 1 1 1 62 MET CG 32.373 . 32.01 1.24 7.6972e-01 19994 1 1 1 1 62 MET CE 47.515 A 17.07 1.58 9.7832e-83 19994 1 1 1 1 62 MET H 7.371 . 8.26 0.6 1.3843e-01 19994 1 1 1 1 62 MET HA 4.027 . 4.41 0.48 4.2492e-01 19994 1 1 1 1 62 MET HG2 2.491 . 2.42 0.35 8.3925e-01 19994 1 1 1 1 62 MET HG3 2.491 . 2.39 0.38 7.9040e-01 19994 1 1 1 1 62 MET HE1 1.903 . 1.89 0.46 9.7745e-01 19994 1 1 1 1 62 MET HE2 1.903 . 1.89 0.46 9.7745e-01 19994 1 1 1 1 62 MET HE3 1.903 . 1.89 0.46 9.7745e-01 19994 1 1 1 1 62 MET N 119.329 . 120.09 3.57 8.3120e-01 19994 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 5 LEU ASP 0.23 19994 1 1 1 1 5 LEU MET 0.12 19994 1 1 1 1 5 LEU ASN 0.12 19994 1 1 1 1 5 LEU ALA 0.09 19994 1 1 1 1 5 LEU GLN 0.09 19994 1 1 1 1 5 LEU ARG 0.08 19994 1 1 1 1 5 LEU LYS 0.07 19994 1 1 1 1 5 LEU TRP 0.06 19994 1 1 1 1 5 LEU PHE 0.04 19994 1 1 1 1 5 LEU TYR 0.04 19994 1 1 1 1 5 LEU SER 0.01 19994 1 1 1 1 62 MET GLY 0.86 19994 1 1 1 1 62 MET PRO 0.13 19994 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19994 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 19994 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19994 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19994 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19994 _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_