data_AVS_bmrb_pdb_report_16576 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16576 _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 24 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16576 1 1 1 1 89 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16576 1 1 1 1 92 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16576 1 1 1 1 98 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16576 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 24 ARG CA 56.5 . 56.77 2.31 9.0695e-01 16576 1 1 1 1 24 ARG CB 33.5 . 30.7 1.83 1.2600e-01 16576 1 1 1 1 24 ARG CG 27.7 . 27.21 1.2 6.8303e-01 16576 1 1 1 1 24 ARG CD 43.3 . 43.16 0.88 8.7360e-01 16576 1 1 1 1 24 ARG H 7.07 . 8.24 0.61 5.5107e-02 16576 1 1 1 1 24 ARG HA 4.17 . 4.3 0.46 7.7748e-01 16576 1 1 1 1 24 ARG HB2 1.07 . 1.79 0.27 7.6608e-03 16576 1 1 1 1 24 ARG HB3 1.21 . 1.76 0.28 4.9497e-02 16576 1 1 1 1 24 ARG HG2 0.92 . 1.57 0.27 1.6066e-02 16576 1 1 1 1 24 ARG HG3 1.38 . 1.54 0.29 5.8114e-01 16576 1 1 1 1 24 ARG HD2 3.02 . 3.12 0.24 6.7692e-01 16576 1 1 1 1 24 ARG HD3 3.02 . 3.1 0.26 7.5832e-01 16576 1 1 1 1 24 ARG HE 7.24 . 7.4 0.63 7.9952e-01 16576 1 1 1 1 24 ARG N 116.7 . 120.8 3.68 2.6522e-01 16576 1 1 1 1 24 ARG NE 111.0 A 84.63 1.68 1.6000e-55 16576 1 1 1 1 89 ARG CA 57.3 . 56.77 2.31 8.1853e-01 16576 1 1 1 1 89 ARG CB 30.7 . 30.7 1.83 1.0000e+00 16576 1 1 1 1 89 ARG CG 27.6 . 27.21 1.2 7.4518e-01 16576 1 1 1 1 89 ARG CD 43.3 . 43.16 0.88 8.7360e-01 16576 1 1 1 1 89 ARG H 8.20 . 8.24 0.61 9.4772e-01 16576 1 1 1 1 89 ARG HA 4.05 . 4.3 0.46 5.8680e-01 16576 1 1 1 1 89 ARG HB2 1.88 . 1.79 0.27 7.3888e-01 16576 1 1 1 1 89 ARG HB3 1.88 . 1.76 0.28 6.6823e-01 16576 1 1 1 1 89 ARG HG2 1.76 . 1.57 0.27 4.8162e-01 16576 1 1 1 1 89 ARG HG3 1.81 . 1.54 0.29 3.5184e-01 16576 1 1 1 1 89 ARG HD2 3.27 . 3.12 0.24 5.3197e-01 16576 1 1 1 1 89 ARG HD3 3.32 . 3.1 0.26 3.9747e-01 16576 1 1 1 1 89 ARG HE 7.35 . 7.4 0.63 9.3674e-01 16576 1 1 1 1 89 ARG N 114.4 . 120.8 3.68 8.2012e-02 16576 1 1 1 1 89 ARG NE 110.8 A 84.63 1.68 1.0372e-54 16576 1 1 1 1 92 ARG CA 54.0 . 56.77 2.31 2.3048e-01 16576 1 1 1 1 92 ARG CB 32.6 . 30.7 1.83 2.9915e-01 16576 1 1 1 1 92 ARG CG 27.5 . 27.21 1.2 8.0904e-01 16576 1 1 1 1 92 ARG CD 43.1 . 43.16 0.88 9.4564e-01 16576 1 1 1 1 92 ARG H 8.37 . 8.24 0.61 8.3124e-01 16576 1 1 1 1 92 ARG HA 5.48 . 4.3 0.46 1.0311e-02 16576 1 1 1 1 92 ARG HB2 1.64 . 1.79 0.27 5.7851e-01 16576 1 1 1 1 92 ARG HB3 1.54 . 1.76 0.28 4.3204e-01 16576 1 1 1 1 92 ARG HG2 1.43 . 1.57 0.27 6.0410e-01 16576 1 1 1 1 92 ARG HG3 1.31 . 1.54 0.29 4.2772e-01 16576 1 1 1 1 92 ARG HD2 3.02 . 3.12 0.24 6.7692e-01 16576 1 1 1 1 92 ARG HD3 3.02 . 3.1 0.26 7.5832e-01 16576 1 1 1 1 92 ARG HE 7.14 . 7.4 0.63 6.7983e-01 16576 1 1 1 1 92 ARG N 119.6 . 120.8 3.68 7.4436e-01 16576 1 1 1 1 92 ARG NE 14.0 A 84.63 1.68 0.0000e+00 16576 1 1 1 1 98 ARG CA 56.8 . 56.77 2.31 9.8964e-01 16576 1 1 1 1 98 ARG CB 30.7 . 30.7 1.83 1.0000e+00 16576 1 1 1 1 98 ARG CG 27.6 . 27.21 1.2 7.4518e-01 16576 1 1 1 1 98 ARG CD 43.1 . 43.16 0.88 9.4564e-01 16576 1 1 1 1 98 ARG H 8.30 . 8.24 0.61 9.2165e-01 16576 1 1 1 1 98 ARG HA 4.18 . 4.3 0.46 7.9419e-01 16576 1 1 1 1 98 ARG HB2 1.62 . 1.79 0.27 5.2894e-01 16576 1 1 1 1 98 ARG HB3 1.37 . 1.76 0.28 1.6366e-01 16576 1 1 1 1 98 ARG HG2 1.39 . 1.57 0.27 5.0499e-01 16576 1 1 1 1 98 ARG HG3 1.50 . 1.54 0.29 8.9030e-01 16576 1 1 1 1 98 ARG HD2 3.06 . 3.12 0.24 8.0259e-01 16576 1 1 1 1 98 ARG HD3 3.06 . 3.1 0.26 8.7773e-01 16576 1 1 1 1 98 ARG HE 7.06 . 7.4 0.63 5.8942e-01 16576 1 1 1 1 98 ARG N 126.5 . 120.8 3.68 1.2140e-01 16576 1 1 1 1 98 ARG NE 110.3 A 84.63 1.68 1.0432e-52 16576 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 24 ARG ARG 0.83 16576 1 1 1 1 24 ARG GLY 0.16 16576 1 1 1 1 89 ARG ARG 0.88 16576 1 1 1 1 89 ARG GLY 0.11 16576 1 1 1 1 92 ARG ARG 0.87 16576 1 1 1 1 92 ARG GLY 0.12 16576 1 1 1 1 98 ARG ARG 0.91 16576 1 1 1 1 98 ARG GLY 0.08 16576 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16576 _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 16576 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16576 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16576 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16576 _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_