data_AVS_bmrb_pdb_report_30259 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30259 _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 10 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30259 1 1 1 1 14 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30259 1 1 1 1 19 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 30259 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 10 ARG CA 54.850 . 56.77 2.31 4.0588e-01 30259 1 1 1 1 10 ARG CB 32.286 . 30.7 1.83 3.8612e-01 30259 1 1 1 1 10 ARG CG 26.929 . 27.21 1.2 8.1486e-01 30259 1 1 1 1 10 ARG CD 43.492 . 43.16 0.88 7.0597e-01 30259 1 1 1 1 10 ARG H 9.085 . 8.24 0.61 1.6598e-01 30259 1 1 1 1 10 ARG HA 4.634 . 4.3 0.46 4.6779e-01 30259 1 1 1 1 10 ARG HB2 1.778 . 1.79 0.27 9.6455e-01 30259 1 1 1 1 10 ARG HB3 1.646 . 1.76 0.28 6.8390e-01 30259 1 1 1 1 10 ARG HG2 1.536 . 1.57 0.27 8.9979e-01 30259 1 1 1 1 10 ARG HG3 1.536 . 1.54 0.29 9.8900e-01 30259 1 1 1 1 10 ARG HD2 3.234 . 3.12 0.24 6.3479e-01 30259 1 1 1 1 10 ARG HD3 3.204 . 3.1 0.26 6.8916e-01 30259 1 1 1 1 10 ARG HE 7.222 . 7.4 0.63 7.7753e-01 30259 1 1 1 1 10 ARG N 124.480 . 120.8 3.68 3.1731e-01 30259 1 1 1 1 10 ARG NE 124.810 A 84.63 1.68 0.0000e+00 30259 1 1 1 1 14 ARG CA 55.299 . 56.77 2.31 5.2426e-01 30259 1 1 1 1 14 ARG CB 30.678 . 30.7 1.83 9.9041e-01 30259 1 1 1 1 14 ARG CG 27.816 . 27.21 1.2 6.1356e-01 30259 1 1 1 1 14 ARG CD 43.570 . 43.16 0.88 6.4128e-01 30259 1 1 1 1 14 ARG H 8.629 . 8.24 0.61 5.2367e-01 30259 1 1 1 1 14 ARG HA 4.147 . 4.3 0.46 7.3943e-01 30259 1 1 1 1 14 ARG HB2 1.691 . 1.79 0.27 7.1387e-01 30259 1 1 1 1 14 ARG HB3 1.309 . 1.76 0.28 1.0724e-01 30259 1 1 1 1 14 ARG HG2 1.222 . 1.57 0.27 1.9744e-01 30259 1 1 1 1 14 ARG HG3 0.916 . 1.54 0.29 3.1419e-02 30259 1 1 1 1 14 ARG HD2 3.031 . 3.12 0.24 7.1076e-01 30259 1 1 1 1 14 ARG HD3 3.031 . 3.1 0.26 7.9071e-01 30259 1 1 1 1 14 ARG HE 7.092 . 7.4 0.63 6.2492e-01 30259 1 1 1 1 14 ARG N 127.525 . 120.8 3.68 6.7633e-02 30259 1 1 1 1 14 ARG NE 124.662 A 84.63 1.68 0.0000e+00 30259 1 1 1 1 19 ARG CA 54.084 . 56.77 2.31 2.4492e-01 30259 1 1 1 1 19 ARG CB 32.596 . 30.7 1.83 3.0017e-01 30259 1 1 1 1 19 ARG CG 26.707 . 27.21 1.2 6.7509e-01 30259 1 1 1 1 19 ARG CD 43.207 . 43.16 0.88 9.5741e-01 30259 1 1 1 1 19 ARG H 8.669 . 8.24 0.61 4.8188e-01 30259 1 1 1 1 19 ARG HA 4.287 . 4.3 0.46 9.7745e-01 30259 1 1 1 1 19 ARG HB2 0.936 . 1.79 0.27 1.5617e-03 30259 1 1 1 1 19 ARG HB3 0.552 S 1.76 0.28 1.6012e-05 30259 1 1 1 1 19 ARG HG2 1.343 . 1.57 0.27 4.0049e-01 30259 1 1 1 1 19 ARG HG3 1.209 . 1.54 0.29 2.5371e-01 30259 1 1 1 1 19 ARG HD2 3.126 . 3.12 0.24 9.8006e-01 30259 1 1 1 1 19 ARG HD3 3.126 . 3.1 0.26 9.2034e-01 30259 1 1 1 1 19 ARG HE 7.138 . 7.4 0.63 6.7750e-01 30259 1 1 1 1 19 ARG N 128.633 . 120.8 3.68 3.3293e-02 30259 1 1 1 1 19 ARG NE 124.936 A 84.63 1.68 0.0000e+00 30259 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 10 ARG ARG 0.51 30259 1 1 1 1 10 ARG CYS 0.37 30259 1 1 1 1 10 ARG GLY 0.1 30259 1 1 1 1 14 ARG ARG 0.53 30259 1 1 1 1 14 ARG CYS 0.36 30259 1 1 1 1 14 ARG GLY 0.1 30259 1 1 1 1 19 ARG ARG 0.52 30259 1 1 1 1 19 ARG CYS 0.37 30259 1 1 1 1 19 ARG GLY 0.09 30259 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30259 _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 30259 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30259 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30259 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30259 _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_