data_AVS_bmrb_pdb_report_25119 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25119 _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 40 LYS Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE3 > HB2" 0.9970 25119 1 1 1 1 40 LYS . . . . . . "HE3 > HB3" 0.9974 25119 1 1 1 1 40 LYS . . . . . . "HE3 > HG2" 0.9993 25119 1 1 1 1 40 LYS . . . . . . "HE3 > HG3" 0.9993 25119 1 1 1 1 40 LYS . . . . . . "HE3 > HD2" 0.9989 25119 1 1 1 1 45 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25119 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 40 LYS C 176.779 . 176.64 2 9.4459e-01 25119 1 1 1 1 40 LYS CA 57.133 . 56.95 2.2 9.3371e-01 25119 1 1 1 1 40 LYS CB 33.529 . 32.79 1.78 6.7802e-01 25119 1 1 1 1 40 LYS CG 25.198 . 24.89 1.13 7.8519e-01 25119 1 1 1 1 40 LYS CD 28.666 . 28.96 1.08 7.8545e-01 25119 1 1 1 1 40 LYS CE 41.798 . 41.89 0.82 9.1067e-01 25119 1 1 1 1 40 LYS H 8.843 . 8.19 0.6 2.7645e-01 25119 1 1 1 1 40 LYS HA 4.254 . 4.27 0.44 9.7099e-01 25119 1 1 1 1 40 LYS HB2 1.874 . 1.78 0.25 7.0692e-01 25119 1 1 1 1 40 LYS HB3 1.696 . 1.74 0.27 8.7055e-01 25119 1 1 1 1 40 LYS HG2 1.510 . 1.37 0.26 5.9026e-01 25119 1 1 1 1 40 LYS HG3 1.405 . 1.35 0.28 8.4427e-01 25119 1 1 1 1 40 LYS HD2 1.682 . 1.61 0.22 7.4346e-01 25119 1 1 1 1 40 LYS HE2 2.978 . 2.92 0.19 7.6017e-01 25119 1 1 1 1 40 LYS HE3 0.000 A 2.91 0.2 5.8403e-48 25119 1 1 1 1 40 LYS N 123.866 . 121.05 3.77 4.5509e-01 25119 1 1 1 1 45 ARG C 177.823 . 176.41 2.03 4.8639e-01 25119 1 1 1 1 45 ARG CA 58.225 . 56.77 2.31 5.2878e-01 25119 1 1 1 1 45 ARG CB 29.396 . 30.7 1.83 4.7611e-01 25119 1 1 1 1 45 ARG CG 26.947 . 27.21 1.2 8.2652e-01 25119 1 1 1 1 45 ARG CD 43.214 . 43.16 0.88 9.5107e-01 25119 1 1 1 1 45 ARG HA 4.193 . 4.3 0.46 8.1607e-01 25119 1 1 1 1 45 ARG HB2 2.148 . 1.79 0.27 1.8486e-01 25119 1 1 1 1 45 ARG HB3 1.906 . 1.76 0.28 6.0207e-01 25119 1 1 1 1 45 ARG HG2 1.605 . 1.57 0.27 8.9686e-01 25119 1 1 1 1 45 ARG HG3 1.745 . 1.54 0.29 4.7963e-01 25119 1 1 1 1 45 ARG HD2 3.451 . 3.12 0.24 1.6784e-01 25119 1 1 1 1 45 ARG HD3 3.089 . 3.1 0.26 9.6625e-01 25119 1 1 1 1 45 ARG HE 8.091 . 7.4 0.63 2.7272e-01 25119 1 1 1 1 45 ARG NE 115.708 A 84.63 1.68 2.1109e-76 25119 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 40 LYS LYS 0.84 25119 1 1 1 1 40 LYS ARG 0.15 25119 1 1 1 1 45 ARG ARG 0.73 25119 1 1 1 1 45 ARG LYS 0.13 25119 1 1 1 1 45 ARG GLY 0.08 25119 1 1 1 1 45 ARG LEU 0.04 25119 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25119 _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 25119 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25119 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25119 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25119 _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_