data_AVS_bmrb_pdb_report_15230 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15230 _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 1 109 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HG3" 0.9983 15230 1 1 1 1 137 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15230 1 1 1 2 1 GNP UNSUPPORTED . . . . . . . 15230 1 1 1 3 1 MG UNSUPPORTED . . . . . . . 15230 1 1 1 4 1 MTO UNSUPPORTED . . . . . . . 15230 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 1 109 ARG C 176.680 . 176.49 2.16 9.2991e-01 15230 1 1 1 1 109 ARG CA 60.164 . 56.95 2.41 1.8233e-01 15230 1 1 1 1 109 ARG CB 28.205 . 30.66 1.77 1.6544e-01 15230 1 1 1 1 109 ARG CG 28.299 . 27.31 1.65 5.4891e-01 15230 1 1 1 1 109 ARG CD 41.631 . 43.1 1.1 1.8173e-01 15230 1 1 1 1 109 ARG H 8.224 . 8.24 0.6 9.7873e-01 15230 1 1 1 1 109 ARG HA 3.306 . 4.27 0.44 2.8458e-02 15230 1 1 1 1 109 ARG HB2 0.545 S 1.79 0.28 8.7310e-06 15230 1 1 1 1 109 ARG HB3 0.734 S 1.78 0.28 1.8718e-04 15230 1 1 1 1 109 ARG HG2 0.867 . 1.58 0.27 8.2725e-03 15230 1 1 1 1 109 ARG HG3 1.193 . 1.58 0.27 1.5176e-01 15230 1 1 1 1 109 ARG HD2 0.870 A 3.13 0.23 8.6931e-23 15230 1 1 1 1 109 ARG HD3 1.205 A 3.13 0.22 2.1335e-18 15230 1 1 1 1 109 ARG HE 6.838 . 7.32 0.52 3.5397e-01 15230 1 1 1 1 109 ARG HH11 6.376 . 6.74 0.31 2.4032e-01 15230 1 1 1 1 109 ARG HH12 6.376 . 6.75 0.32 2.4250e-01 15230 1 1 1 1 109 ARG HH21 6.376 . 6.72 0.32 2.8237e-01 15230 1 1 1 1 109 ARG HH22 6.376 . 6.72 0.33 2.9722e-01 15230 1 1 1 1 109 ARG N 117.233 . 120.61 3.9 3.8655e-01 15230 1 1 1 1 109 ARG NE 82.997 . 89.8 12.83 5.9594e-01 15230 1 1 1 1 137 ARG C 176.780 . 176.49 2.16 8.9320e-01 15230 1 1 1 1 137 ARG CA 58.724 . 56.95 2.41 4.6167e-01 15230 1 1 1 1 137 ARG CB 31.813 . 30.66 1.77 5.1478e-01 15230 1 1 1 1 137 ARG CG 29.365 . 27.31 1.65 2.1296e-01 15230 1 1 1 1 137 ARG CD 43.490 . 43.1 1.1 7.2293e-01 15230 1 1 1 1 137 ARG H 7.434 . 8.24 0.6 1.7916e-01 15230 1 1 1 1 137 ARG HA 3.482 . 4.27 0.44 7.3308e-02 15230 1 1 1 1 137 ARG HB2 1.558 . 1.79 0.28 4.0735e-01 15230 1 1 1 1 137 ARG HB3 1.942 . 1.78 0.28 5.6288e-01 15230 1 1 1 1 137 ARG HG2 1.114 . 1.58 0.27 8.4361e-02 15230 1 1 1 1 137 ARG HG3 1.114 . 1.58 0.27 8.4361e-02 15230 1 1 1 1 137 ARG HD2 2.873 . 3.13 0.23 2.6383e-01 15230 1 1 1 1 137 ARG HD3 3.597 . 3.13 0.22 3.3777e-02 15230 1 1 1 1 137 ARG HE 8.142 . 7.32 0.52 1.1393e-01 15230 1 1 1 1 137 ARG HH11 8.548 S 6.74 0.31 5.4682e-09 15230 1 1 1 1 137 ARG HH12 8.548 S 6.75 0.32 1.9234e-08 15230 1 1 1 1 137 ARG HH21 8.548 A 6.72 0.32 1.1133e-08 15230 1 1 1 1 137 ARG HH22 8.548 A 6.72 0.33 3.0352e-08 15230 1 1 1 1 137 ARG N 120.348 . 120.61 3.9 9.4644e-01 15230 1 1 1 1 137 ARG NE 80.015 . 89.8 12.83 4.4566e-01 15230 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 1 109 ARG ARG 0.6 15230 1 1 1 1 109 ARG LYS 0.24 15230 1 1 1 1 109 ARG LEU 0.11 15230 1 1 1 1 109 ARG GLY 0.02 15230 1 1 1 1 137 ARG ARG 0.51 15230 1 1 1 1 137 ARG LYS 0.31 15230 1 1 1 1 137 ARG GLY 0.16 15230 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15230 _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 15230 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15230 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15230 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15230 _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_