data_AVS_bmrb_pdb_report_15624 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15624 _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 37 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15624 1 1 1 1 148 LYS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15624 1 1 1 3 1 CA UNSUPPORTED . . . . . . . 15624 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 37 ARG C 181.830 A 176.49 2.16 1.3428e-02 15624 1 1 1 1 37 ARG CA 59.225 . 56.95 2.41 3.4518e-01 15624 1 1 1 1 37 ARG CB 29.901 . 30.66 1.77 6.6806e-01 15624 1 1 1 1 37 ARG CG 29.543 . 27.31 1.65 1.7595e-01 15624 1 1 1 1 37 ARG CD 43.709 . 43.1 1.1 5.7983e-01 15624 1 1 1 1 37 ARG H 8.675 . 8.24 0.6 4.6845e-01 15624 1 1 1 1 37 ARG HA 4.778 . 4.27 0.44 2.4828e-01 15624 1 1 1 1 37 ARG HB2 1.952 . 1.79 0.28 5.6288e-01 15624 1 1 1 1 37 ARG HB3 1.915 . 1.78 0.28 6.2970e-01 15624 1 1 1 1 37 ARG HG2 1.887 . 1.58 0.27 2.5552e-01 15624 1 1 1 1 37 ARG HG3 1.831 . 1.58 0.27 3.5256e-01 15624 1 1 1 1 37 ARG HD2 3.123 . 3.13 0.23 9.7572e-01 15624 1 1 1 1 37 ARG HD3 3.294 . 3.13 0.22 4.5600e-01 15624 1 1 1 1 37 ARG HE 7.399 . 7.32 0.52 8.7925e-01 15624 1 1 1 1 37 ARG N 119.052 . 120.61 3.9 6.8953e-01 15624 1 1 1 1 37 ARG NE 115.262 . 89.8 12.83 4.7193e-02 15624 1 1 1 1 148 LYS C 181.728 A 176.46 2.05 1.0177e-02 15624 1 1 1 1 148 LYS CA 57.843 . 56.84 2.25 6.5576e-01 15624 1 1 1 1 148 LYS CB 32.225 . 32.83 1.88 7.4760e-01 15624 1 1 1 1 148 LYS CG 24.569 . 24.91 1.31 7.9463e-01 15624 1 1 1 1 148 LYS H 7.959 . 8.22 0.64 6.8341e-01 15624 1 1 1 1 148 LYS HA 3.965 . 4.28 0.45 4.8393e-01 15624 1 1 1 1 148 LYS HB2 1.885 . 1.79 0.25 7.0395e-01 15624 1 1 1 1 148 LYS HG2 1.522 . 1.38 0.27 5.9894e-01 15624 1 1 1 1 148 LYS HG3 1.522 . 1.37 0.29 6.0018e-01 15624 1 1 1 1 148 LYS HD2 1.690 . 1.61 0.25 7.4897e-01 15624 1 1 1 1 148 LYS HE2 3.036 . 2.93 0.2 5.9611e-01 15624 1 1 1 1 148 LYS HE3 3.036 . 2.93 0.2 5.9611e-01 15624 1 1 1 1 148 LYS N 126.436 . 121.16 4.11 1.9925e-01 15624 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 37 ARG CYS 0.44 15624 1 1 1 1 37 ARG ARG 0.32 15624 1 1 1 1 37 ARG GLY 0.15 15624 1 1 1 1 37 ARG LYS 0.06 15624 1 1 1 1 148 LYS CYS 0.37 15624 1 1 1 1 148 LYS LYS 0.37 15624 1 1 1 1 148 LYS ARG 0.11 15624 1 1 1 1 148 LYS MET 0.06 15624 1 1 1 1 148 LYS VAL 0.04 15624 1 1 1 1 148 LYS GLN 0.02 15624 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15624 _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 15624 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15624 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15624 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15624 _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_