data_AVS_bmrb_pdb_report_15751 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15751 _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 1 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15751 1 1 1 1 7 ARG Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "HH11 > HA" 1.0000 15751 1 1 1 1 7 ARG . . . . . . "HH12 > HA" 1.0000 15751 1 1 1 1 7 ARG . . . . . . "HH21 > HA" 1.0000 15751 1 1 1 1 7 ARG . . . . . . "HH22 > HA" 1.0000 15751 1 1 1 1 7 ARG . . . . . . "HH21 > HB2" 1.0000 15751 1 1 1 1 7 ARG . . . . . . "HH22 > HB2" 1.0000 15751 1 1 1 1 7 ARG . . . . . . "HH21 > HB3" 1.0000 15751 1 1 1 1 7 ARG . . . . . . "HH22 > HB3" 1.0000 15751 1 1 1 1 7 ARG . . . . . . "HH21 > HD2" 1.0000 15751 1 1 1 1 7 ARG . . . . . . "HH22 > HD2" 1.0000 15751 1 1 1 1 7 ARG . . . . . . "HH21 > HD3" 1.0000 15751 1 1 1 1 7 ARG . . . . . . "HH22 > HD3" 1.0000 15751 1 1 1 1 13 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15751 1 1 1 1 22 ILE Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 15751 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 1 ARG HH21 1.233 A 6.72 0.32 6.6325e-66 15751 1 1 1 1 1 ARG HH22 1.233 A 6.72 0.33 4.4227e-62 15751 1 1 1 1 7 ARG H 9.648 . 8.24 0.6 1.8942e-02 15751 1 1 1 1 7 ARG HA 4.874 . 4.27 0.44 1.6984e-01 15751 1 1 1 1 7 ARG HB2 1.842 . 1.79 0.28 8.5267e-01 15751 1 1 1 1 7 ARG HB3 1.824 . 1.78 0.28 8.7513e-01 15751 1 1 1 1 7 ARG HG2 1.571 . 1.58 0.27 9.7341e-01 15751 1 1 1 1 7 ARG HG3 1.566 . 1.58 0.27 9.5865e-01 15751 1 1 1 1 7 ARG HD2 3.226 . 3.13 0.23 6.7639e-01 15751 1 1 1 1 7 ARG HD3 3.238 . 3.13 0.22 6.2349e-01 15751 1 1 1 1 7 ARG HE 5.445 S 7.32 0.52 3.1123e-04 15751 1 1 1 1 7 ARG HH11 4.727 A 6.74 0.31 8.3838e-11 15751 1 1 1 1 7 ARG HH12 4.727 A 6.75 0.32 2.5841e-10 15751 1 1 1 1 7 ARG HH21 1.815 A 6.72 0.32 4.9610e-53 15751 1 1 1 1 7 ARG HH22 1.815 A 6.72 0.33 5.6759e-50 15751 1 1 1 1 13 ARG H 8.398 . 8.24 0.6 7.9229e-01 15751 1 1 1 1 13 ARG HA 4.112 . 4.27 0.44 7.1953e-01 15751 1 1 1 1 13 ARG HB2 2.044 . 1.79 0.28 3.6433e-01 15751 1 1 1 1 13 ARG HB3 2.039 . 1.78 0.28 3.5497e-01 15751 1 1 1 1 13 ARG HG2 3.167 A 1.58 0.27 4.1581e-09 15751 1 1 1 1 13 ARG HG3 3.177 A 1.58 0.27 3.3225e-09 15751 1 1 1 1 13 ARG HD2 3.890 S 3.13 0.23 9.5198e-04 15751 1 1 1 1 13 ARG HD3 3.895 S 3.13 0.22 5.0654e-04 15751 1 1 1 1 13 ARG HH12 5.411 A 6.75 0.32 2.8595e-05 15751 1 1 1 1 13 ARG HH22 5.406 S 6.72 0.33 6.8390e-05 15751 1 1 1 1 22 ILE H 8.822 . 8.26 0.71 4.2862e-01 15751 1 1 1 1 22 ILE HA 4.309 . 4.2 0.56 8.4567e-01 15751 1 1 1 1 22 ILE HB 3.186 A 1.8 0.31 7.7866e-06 15751 1 1 1 1 22 ILE HG21 0.812 . 0.8 0.29 9.6699e-01 15751 1 1 1 1 22 ILE HG22 0.812 . 0.8 0.29 9.6699e-01 15751 1 1 1 1 22 ILE HG23 0.812 . 0.8 0.29 9.6699e-01 15751 1 1 1 1 22 ILE HD11 0.598 . 0.7 0.3 7.3386e-01 15751 1 1 1 1 22 ILE HD12 0.598 . 0.7 0.3 7.3386e-01 15751 1 1 1 1 22 ILE HD13 0.598 . 0.7 0.3 7.3386e-01 15751 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15751 _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 15751 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15751 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15751 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15751 _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_