data_AVS_bmrb_pdb_report_30826 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30826 _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 2 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30826 1 1 1 1 4 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30826 1 1 1 1 23 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30826 1 1 1 1 240 NH UNSUPPORTED . . . . . . . 30826 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 2 ARG CA 55.032 . 56.77 2.31 4.5182e-01 30826 1 1 1 1 2 ARG CB 33.095 . 30.7 1.83 1.9062e-01 30826 1 1 1 1 2 ARG CG 25.943 . 27.21 1.2 2.9104e-01 30826 1 1 1 1 2 ARG CD 43.307 . 43.16 0.88 8.6733e-01 30826 1 1 1 1 2 ARG H 8.480 . 8.24 0.61 6.9399e-01 30826 1 1 1 1 2 ARG HA 4.683 . 4.3 0.46 4.0507e-01 30826 1 1 1 1 2 ARG HB2 1.943 . 1.79 0.27 5.7094e-01 30826 1 1 1 1 2 ARG HB3 1.797 . 1.76 0.28 8.9487e-01 30826 1 1 1 1 2 ARG HG2 1.663 . 1.57 0.27 7.3051e-01 30826 1 1 1 1 2 ARG HG3 1.439 . 1.54 0.29 7.2763e-01 30826 1 1 1 1 2 ARG HD2 3.194 . 3.12 0.24 7.5783e-01 30826 1 1 1 1 2 ARG HD3 3.194 . 3.1 0.26 7.1770e-01 30826 1 1 1 1 2 ARG HE 7.155 . 7.4 0.63 6.9736e-01 30826 1 1 1 1 2 ARG NE 124.609 A 84.63 1.68 0.0000e+00 30826 1 1 1 1 4 ARG CA 57.024 . 56.77 2.31 9.1244e-01 30826 1 1 1 1 4 ARG CB 31.934 . 30.7 1.83 5.0011e-01 30826 1 1 1 1 4 ARG CG 28.262 . 27.21 1.2 3.8067e-01 30826 1 1 1 1 4 ARG CD 43.093 . 43.16 0.88 9.3931e-01 30826 1 1 1 1 4 ARG H 8.854 . 8.24 0.61 3.1415e-01 30826 1 1 1 1 4 ARG HA 4.456 . 4.3 0.46 7.3451e-01 30826 1 1 1 1 4 ARG HB2 2.158 . 1.79 0.27 1.7289e-01 30826 1 1 1 1 4 ARG HB3 1.993 . 1.76 0.28 4.0533e-01 30826 1 1 1 1 4 ARG HG2 1.859 . 1.57 0.27 2.8445e-01 30826 1 1 1 1 4 ARG HG3 1.674 . 1.54 0.29 6.4403e-01 30826 1 1 1 1 4 ARG HD2 3.291 . 3.12 0.24 4.7616e-01 30826 1 1 1 1 4 ARG HD3 3.291 . 3.1 0.26 4.6257e-01 30826 1 1 1 1 4 ARG HE 7.212 . 7.4 0.63 7.6539e-01 30826 1 1 1 1 4 ARG N 119.673 . 120.8 3.68 7.5941e-01 30826 1 1 1 1 4 ARG NE 124.710 A 84.63 1.68 0.0000e+00 30826 1 1 1 1 23 ARG CA 57.492 . 56.77 2.31 7.5462e-01 30826 1 1 1 1 23 ARG CB 30.017 . 30.7 1.83 7.0898e-01 30826 1 1 1 1 23 ARG CG 27.324 . 27.21 1.2 9.2432e-01 30826 1 1 1 1 23 ARG CD 43.060 . 43.16 0.88 9.0953e-01 30826 1 1 1 1 23 ARG H 8.480 . 8.24 0.61 6.9399e-01 30826 1 1 1 1 23 ARG HA 4.271 . 4.3 0.46 9.4973e-01 30826 1 1 1 1 23 ARG HB2 1.956 . 1.79 0.27 5.3868e-01 30826 1 1 1 1 23 ARG HB3 1.854 . 1.76 0.28 7.3709e-01 30826 1 1 1 1 23 ARG HG2 1.734 . 1.57 0.27 5.4358e-01 30826 1 1 1 1 23 ARG HG3 1.734 . 1.54 0.29 5.0352e-01 30826 1 1 1 1 23 ARG HD2 3.239 . 3.12 0.24 6.2001e-01 30826 1 1 1 1 23 ARG HD3 3.239 . 3.1 0.26 5.9292e-01 30826 1 1 1 1 23 ARG HE 7.519 . 7.4 0.63 8.5018e-01 30826 1 1 1 1 23 ARG NE 124.463 A 84.63 1.68 0.0000e+00 30826 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 2 ARG CYS 0.39 30826 1 1 1 1 2 ARG ARG 0.31 30826 1 1 1 1 2 ARG LYS 0.2 30826 1 1 1 1 2 ARG GLY 0.08 30826 1 1 1 1 4 ARG CYS 0.37 30826 1 1 1 1 4 ARG ARG 0.35 30826 1 1 1 1 4 ARG LYS 0.23 30826 1 1 1 1 4 ARG GLY 0.03 30826 1 1 1 1 23 ARG ARG 0.46 30826 1 1 1 1 23 ARG CYS 0.41 30826 1 1 1 1 23 ARG LYS 0.06 30826 1 1 1 1 23 ARG GLY 0.04 30826 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30826 _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 30826 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30826 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30826 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30826 _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_