data_AVS_bmrb_pdb_report_19327 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19327 _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 19 ILE Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 19327 1 1 1 1 19 ILE . . . . . . "C > CB" 1.0000 19327 1 1 1 1 19 ILE . . . . . . "C > CG1" 1.0000 19327 1 1 1 1 19 ILE . . . . . . "C > CG2" 1.0000 19327 1 1 1 1 22 ILE Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 19327 1 1 1 1 22 ILE . . . . . . "C > CB" 1.0000 19327 1 1 1 1 22 ILE . . . . . . "C > CG1" 1.0000 19327 1 1 1 1 22 ILE . . . . . . "C > CG2" 1.0000 19327 1 1 1 1 36 ASP Anomalous Consistent Suspicious Consistent Anomalous Consistent "C > CA" 1.0000 19327 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 19 ILE C 14.505 A 175.85 1.92 0.0000e+00 19327 1 1 1 1 19 ILE CA 61.052 . 61.61 2.68 8.3507e-01 19327 1 1 1 1 19 ILE CB 39.357 . 38.63 2.02 7.1892e-01 19327 1 1 1 1 19 ILE CG1 26.807 . 27.71 1.68 5.9092e-01 19327 1 1 1 1 19 ILE CG2 17.918 . 17.53 1.36 7.7542e-01 19327 1 1 1 1 19 ILE CD1 14.505 . 13.43 1.67 5.1976e-01 19327 1 1 1 1 19 ILE H 8.819 . 8.28 0.68 4.2798e-01 19327 1 1 1 1 19 ILE HA 4.558 . 4.18 0.56 4.9968e-01 19327 1 1 1 1 19 ILE HB 1.950 . 1.78 0.29 5.5774e-01 19327 1 1 1 1 19 ILE HG12 0.774 . 1.28 0.4 2.0587e-01 19327 1 1 1 1 19 ILE HG13 1.140 . 1.19 0.41 9.0294e-01 19327 1 1 1 1 19 ILE HG21 0.924 . 0.77 0.27 5.6843e-01 19327 1 1 1 1 19 ILE HG22 0.924 . 0.77 0.27 5.6843e-01 19327 1 1 1 1 19 ILE HG23 0.924 . 0.77 0.27 5.6843e-01 19327 1 1 1 1 19 ILE HD11 0.748 . 0.68 0.29 8.1461e-01 19327 1 1 1 1 19 ILE HD12 0.748 . 0.68 0.29 8.1461e-01 19327 1 1 1 1 19 ILE HD13 0.748 . 0.68 0.29 8.1461e-01 19327 1 1 1 1 19 ILE N 122.004 . 121.46 4.28 8.9886e-01 19327 1 1 1 1 22 ILE C 16.529 A 175.85 1.92 0.0000e+00 19327 1 1 1 1 22 ILE CA 59.552 . 61.61 2.68 4.4254e-01 19327 1 1 1 1 22 ILE CB 42.701 . 38.63 2.02 4.3868e-02 19327 1 1 1 1 22 ILE CG1 25.322 . 27.71 1.68 1.5519e-01 19327 1 1 1 1 22 ILE CG2 18.171 . 17.53 1.36 6.3741e-01 19327 1 1 1 1 22 ILE CD1 16.529 . 13.43 1.67 6.3498e-02 19327 1 1 1 1 22 ILE H 9.129 . 8.28 0.68 2.1184e-01 19327 1 1 1 1 22 ILE HA 4.787 . 4.18 0.56 2.7840e-01 19327 1 1 1 1 22 ILE HB 1.769 . 1.78 0.29 9.6974e-01 19327 1 1 1 1 22 ILE HG12 1.249 . 1.28 0.4 9.3823e-01 19327 1 1 1 1 22 ILE HG13 0.872 . 1.19 0.41 4.3798e-01 19327 1 1 1 1 22 ILE HG21 0.759 . 0.77 0.27 9.6750e-01 19327 1 1 1 1 22 ILE HG22 0.759 . 0.77 0.27 9.6750e-01 19327 1 1 1 1 22 ILE HG23 0.759 . 0.77 0.27 9.6750e-01 19327 1 1 1 1 22 ILE HD11 0.709 . 0.68 0.29 9.2034e-01 19327 1 1 1 1 22 ILE HD12 0.709 . 0.68 0.29 9.2034e-01 19327 1 1 1 1 22 ILE HD13 0.709 . 0.68 0.29 9.2034e-01 19327 1 1 1 1 22 ILE N 118.029 . 121.46 4.28 4.2276e-01 19327 1 1 1 1 36 ASP C 42.532 A 176.4 1.75 0.0000e+00 19327 1 1 1 1 36 ASP CA 57.474 . 54.69 2.03 1.7024e-01 19327 1 1 1 1 36 ASP CB 42.532 . 40.88 1.62 3.0785e-01 19327 1 1 1 1 36 ASP H 8.126 . 8.31 0.58 7.5106e-01 19327 1 1 1 1 36 ASP HA 4.384 . 4.59 0.32 5.1974e-01 19327 1 1 1 1 36 ASP HB2 2.782 . 2.72 0.26 8.1152e-01 19327 1 1 1 1 36 ASP HB3 2.696 . 2.66 0.28 8.9770e-01 19327 1 1 1 1 36 ASP N 120.238 . 120.65 3.86 9.1500e-01 19327 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 19 ILE ILE 0.99 19327 1 1 1 1 22 ILE ILE 0.55 19327 1 1 1 1 22 ILE GLY 0.4 19327 1 1 1 1 22 ILE ALA 0.03 19327 1 1 1 1 36 ASP ARG 0.22 19327 1 1 1 1 36 ASP LYS 0.22 19327 1 1 1 1 36 ASP LEU 0.2 19327 1 1 1 1 36 ASP PHE 0.14 19327 1 1 1 1 36 ASP TYR 0.09 19327 1 1 1 1 36 ASP ASP 0.07 19327 1 1 1 1 36 ASP ILE 0.01 19327 1 1 1 1 36 ASP GLY 0.01 19327 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19327 _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 19327 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19327 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19327 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19327 _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_