data_AVS_bmrb_pdb_report_16375 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16375 _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 32 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16375 1 1 1 1 56 ASP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16375 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 32 ILE C 178.485 . 175.82 1.95 1.7173e-01 16375 1 1 1 1 32 ILE CA 64.060 . 61.59 2.78 3.7428e-01 16375 1 1 1 1 32 ILE CB 39.340 . 38.58 2.09 7.1613e-01 16375 1 1 1 1 32 ILE CG1 27.100 . 27.65 2.32 8.1260e-01 16375 1 1 1 1 32 ILE CG2 17.594 . 17.36 1.6 8.8372e-01 16375 1 1 1 1 32 ILE CD1 14.730 . 13.41 1.91 4.8950e-01 16375 1 1 1 1 32 ILE H 11.318 A 8.26 0.71 1.6545e-05 16375 1 1 1 1 32 ILE HA 4.038 . 4.2 0.56 7.7236e-01 16375 1 1 1 1 32 ILE HB 2.304 . 1.8 0.31 1.0399e-01 16375 1 1 1 1 32 ILE HG12 1.863 . 1.3 0.4 1.5928e-01 16375 1 1 1 1 32 ILE HG13 1.083 . 1.24 0.4 6.9469e-01 16375 1 1 1 1 32 ILE HG21 0.866 . 0.8 0.29 8.1997e-01 16375 1 1 1 1 32 ILE HG22 0.866 . 0.8 0.29 8.1997e-01 16375 1 1 1 1 32 ILE HG23 0.866 . 0.8 0.29 8.1997e-01 16375 1 1 1 1 32 ILE HD11 0.852 . 0.7 0.3 6.1239e-01 16375 1 1 1 1 32 ILE HD12 0.852 . 0.7 0.3 6.1239e-01 16375 1 1 1 1 32 ILE HD13 0.852 . 0.7 0.3 6.1239e-01 16375 1 1 1 1 32 ILE N 124.500 . 121.6 4.72 5.3895e-01 16375 1 1 1 1 56 ASP C 176.748 . 176.41 1.77 8.4856e-01 16375 1 1 1 1 56 ASP CA 55.844 . 54.52 2.1 5.2838e-01 16375 1 1 1 1 56 ASP CB 44.390 . 40.7 1.67 2.7134e-02 16375 1 1 1 1 56 ASP H 11.616 A 8.33 0.57 8.1700e-09 16375 1 1 1 1 56 ASP HA 4.417 . 4.61 0.31 5.3356e-01 16375 1 1 1 1 56 ASP HB2 3.238 . 2.74 0.29 8.5935e-02 16375 1 1 1 1 56 ASP HB3 2.653 . 2.7 0.29 8.7125e-01 16375 1 1 1 1 56 ASP N 122.131 . 120.73 4.2 7.3870e-01 16375 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 32 ILE ILE 0.89 16375 1 1 1 1 32 ILE CYS 0.1 16375 1 1 1 1 56 ASP LEU 0.27 16375 1 1 1 1 56 ASP GLY 0.25 16375 1 1 1 1 56 ASP ARG 0.22 16375 1 1 1 1 56 ASP CYS 0.14 16375 1 1 1 1 56 ASP ASP 0.03 16375 1 1 1 1 56 ASP PHE 0.03 16375 1 1 1 1 56 ASP TYR 0.02 16375 1 1 1 1 56 ASP LYS 0.01 16375 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16375 _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 16375 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16375 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16375 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16375 _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_