data_AVS_bmrb_pdb_report_15393 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15393 _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 1 159 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15393 1 1 1 2 42 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15393 1 1 1 2 43 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15393 1 1 1 2 45 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15393 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 1 159 ARG C 173.8100 . 176.41 2.03 2.0027e-01 15393 1 1 1 1 159 ARG CA 53.9000 . 56.77 2.31 2.1408e-01 15393 1 1 1 1 159 ARG CB 31.8190 . 30.7 1.83 5.4088e-01 15393 1 1 1 1 159 ARG CG 26.1200 . 27.21 1.2 3.6370e-01 15393 1 1 1 1 159 ARG CD 42.9600 . 43.16 0.88 8.2021e-01 15393 1 1 1 1 159 ARG H 6.9440 . 8.24 0.61 3.3621e-02 15393 1 1 1 1 159 ARG HA 4.3500 . 4.3 0.46 9.1344e-01 15393 1 1 1 1 159 ARG HB2 1.5010 . 1.79 0.27 2.8445e-01 15393 1 1 1 1 159 ARG HG2 1.2300 . 1.57 0.27 2.0794e-01 15393 1 1 1 1 159 ARG HD2 3.0200 . 3.12 0.24 6.7692e-01 15393 1 1 1 1 159 ARG N 119.1640 . 120.8 3.68 6.5663e-01 15393 1 1 1 1 159 ARG NE 107.4110 A 84.63 1.68 6.9024e-42 15393 1 1 1 2 42 ARG C 175.9100 . 176.41 2.03 8.0545e-01 15393 1 1 1 2 42 ARG CA 54.7150 . 56.77 2.31 3.7368e-01 15393 1 1 1 2 42 ARG CB 30.2360 . 30.7 1.83 7.9984e-01 15393 1 1 1 2 42 ARG CG 26.5500 . 27.21 1.2 5.8232e-01 15393 1 1 1 2 42 ARG CD 43.2500 . 43.16 0.88 9.1854e-01 15393 1 1 1 2 42 ARG H 7.8230 . 8.24 0.61 4.9422e-01 15393 1 1 1 2 42 ARG HA 4.4500 . 4.3 0.46 7.4436e-01 15393 1 1 1 2 42 ARG HB2 1.8800 . 1.79 0.27 7.3888e-01 15393 1 1 1 2 42 ARG HG2 1.6930 . 1.57 0.27 6.4871e-01 15393 1 1 1 2 42 ARG HD2 3.1290 . 3.12 0.24 9.7009e-01 15393 1 1 1 2 42 ARG N 120.6490 . 120.8 3.68 9.6727e-01 15393 1 1 1 2 42 ARG NE 107.4110 A 84.63 1.68 6.9024e-42 15393 1 1 1 2 43 ARG C 176.7100 . 176.41 2.03 8.8251e-01 15393 1 1 1 2 43 ARG CA 57.2500 . 56.77 2.31 8.3539e-01 15393 1 1 1 2 43 ARG CB 28.8020 . 30.7 1.83 2.9966e-01 15393 1 1 1 2 43 ARG CG 26.1200 . 27.21 1.2 3.6370e-01 15393 1 1 1 2 43 ARG CD 43.2400 . 43.16 0.88 9.2757e-01 15393 1 1 1 2 43 ARG H 8.5750 . 8.24 0.61 5.8288e-01 15393 1 1 1 2 43 ARG HA 4.3300 . 4.3 0.46 9.4800e-01 15393 1 1 1 2 43 ARG HB2 1.8300 . 1.79 0.27 8.8223e-01 15393 1 1 1 2 43 ARG HG2 1.6300 . 1.57 0.27 8.2414e-01 15393 1 1 1 2 43 ARG HD2 3.1500 . 3.12 0.24 9.0052e-01 15393 1 1 1 2 43 ARG N 122.6210 . 120.8 3.68 6.2072e-01 15393 1 1 1 2 43 ARG NE 107.4110 A 84.63 1.68 6.9024e-42 15393 1 1 1 2 45 ARG C 177.8600 . 176.41 2.03 4.7505e-01 15393 1 1 1 2 45 ARG CA 57.2500 . 56.77 2.31 8.3539e-01 15393 1 1 1 2 45 ARG CB 28.1820 . 30.7 1.83 1.6883e-01 15393 1 1 1 2 45 ARG CG 26.1200 . 27.21 1.2 3.6370e-01 15393 1 1 1 2 45 ARG CD 42.5860 . 43.16 0.88 5.1423e-01 15393 1 1 1 2 45 ARG H 9.2690 . 8.24 0.61 9.1625e-02 15393 1 1 1 2 45 ARG HA 4.4400 . 4.3 0.46 7.6086e-01 15393 1 1 1 2 45 ARG HB2 1.7430 . 1.79 0.27 8.6181e-01 15393 1 1 1 2 45 ARG N 118.5560 . 120.8 3.68 5.4201e-01 15393 1 1 1 2 45 ARG NE 107.4110 A 84.63 1.68 6.9024e-42 15393 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 1 159 ARG ARG 0.62 15393 1 1 1 1 159 ARG LYS 0.29 15393 1 1 1 1 159 ARG GLY 0.07 15393 1 1 1 2 42 ARG ARG 0.77 15393 1 1 1 2 42 ARG LYS 0.1 15393 1 1 1 2 42 ARG GLY 0.1 15393 1 1 1 2 42 ARG LEU 0.01 15393 1 1 1 2 43 ARG ARG 0.47 15393 1 1 1 2 43 ARG LYS 0.26 15393 1 1 1 2 43 ARG LEU 0.18 15393 1 1 1 2 43 ARG GLY 0.07 15393 1 1 1 2 45 ARG LYS 0.36 15393 1 1 1 2 45 ARG LEU 0.31 15393 1 1 1 2 45 ARG ARG 0.29 15393 1 1 1 2 45 ARG GLY 0.02 15393 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15393 _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 15393 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15393 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15393 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15393 _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_