data_AVS_bmrb_pdb_report_17402 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17402 _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 8 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17402 1 1 1 1 19 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17402 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 8 ARG CA 55.498 . 56.77 2.31 5.8187e-01 17402 1 1 1 1 8 ARG CB 30.539 . 30.7 1.83 9.2989e-01 17402 1 1 1 1 8 ARG CG 25.418 . 27.21 1.2 1.3535e-01 17402 1 1 1 1 8 ARG CD 43.865 . 43.16 0.88 4.2305e-01 17402 1 1 1 1 8 ARG H 7.893 . 8.24 0.61 5.6946e-01 17402 1 1 1 1 8 ARG HA 3.923 . 4.3 0.46 4.1246e-01 17402 1 1 1 1 8 ARG HB2 1.396 . 1.79 0.27 1.4449e-01 17402 1 1 1 1 8 ARG HB3 1.191 . 1.76 0.28 4.2139e-02 17402 1 1 1 1 8 ARG HG2 1.139 . 1.57 0.27 1.1042e-01 17402 1 1 1 1 8 ARG HG3 1.116 . 1.54 0.29 1.4372e-01 17402 1 1 1 1 8 ARG HD2 2.835 . 3.12 0.24 2.3503e-01 17402 1 1 1 1 8 ARG HD3 2.802 . 3.1 0.26 2.5173e-01 17402 1 1 1 1 8 ARG HE 6.592 . 7.4 0.63 1.9965e-01 17402 1 1 1 1 8 ARG N 119.580 . 120.8 3.68 7.4025e-01 17402 1 1 1 1 8 ARG NE 112.736 A 84.63 1.68 7.9556e-63 17402 1 1 1 1 19 ARG CA 55.411 . 56.77 2.31 5.5632e-01 17402 1 1 1 1 19 ARG CB 30.897 . 30.7 1.83 9.1427e-01 17402 1 1 1 1 19 ARG CG 26.703 . 27.21 1.2 6.7266e-01 17402 1 1 1 1 19 ARG CD 43.633 . 43.16 0.88 5.9092e-01 17402 1 1 1 1 19 ARG H 8.470 . 8.24 0.61 7.0614e-01 17402 1 1 1 1 19 ARG HA 3.887 . 4.3 0.46 3.6928e-01 17402 1 1 1 1 19 ARG HB2 1.370 . 1.79 0.27 1.1981e-01 17402 1 1 1 1 19 ARG HB3 0.841 . 1.76 0.28 1.0302e-03 17402 1 1 1 1 19 ARG HG2 0.710 . 1.57 0.27 1.4466e-03 17402 1 1 1 1 19 ARG HG3 1.186 . 1.54 0.29 2.2220e-01 17402 1 1 1 1 19 ARG HD2 2.753 . 3.12 0.24 1.2622e-01 17402 1 1 1 1 19 ARG HD3 3.171 . 3.1 0.26 7.8479e-01 17402 1 1 1 1 19 ARG HE 7.143 . 7.4 0.63 6.8332e-01 17402 1 1 1 1 19 ARG N 127.096 . 120.8 3.68 8.7105e-02 17402 1 1 1 1 19 ARG NE 112.238 A 84.63 1.68 1.1042e-60 17402 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 8 ARG ARG 0.58 17402 1 1 1 1 8 ARG GLY 0.29 17402 1 1 1 1 8 ARG LYS 0.09 17402 1 1 1 1 8 ARG LEU 0.01 17402 1 1 1 1 19 ARG ARG 0.77 17402 1 1 1 1 19 ARG GLY 0.16 17402 1 1 1 1 19 ARG LYS 0.05 17402 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17402 _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 17402 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17402 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17402 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17402 _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_