data_AVS_bmrb_pdb_report_25942 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25942 _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 77 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25942 1 1 1 1 87 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25942 1 1 1 1 123 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25942 1 1 1 1 151 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25942 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 77 ARG CA 56.239 . 56.77 2.31 8.1819e-01 25942 1 1 1 1 77 ARG CB 30.955 . 30.7 1.83 8.8918e-01 25942 1 1 1 1 77 ARG H 8.059 . 8.24 0.61 7.6668e-01 25942 1 1 1 1 77 ARG HA 4.327 . 4.3 0.46 9.5319e-01 25942 1 1 1 1 77 ARG HB2 1.850 . 1.79 0.27 8.2414e-01 25942 1 1 1 1 77 ARG HB3 1.716 . 1.76 0.28 8.7513e-01 25942 1 1 1 1 77 ARG HG3 1.611 . 1.54 0.29 8.0659e-01 25942 1 1 1 1 77 ARG HD2 3.165 . 3.12 0.24 8.5127e-01 25942 1 1 1 1 77 ARG HD3 3.163 . 3.1 0.26 8.0854e-01 25942 1 1 1 1 77 ARG HE 7.198 . 7.4 0.63 7.4849e-01 25942 1 1 1 1 77 ARG HH11 6.660 . 6.91 0.46 5.8680e-01 25942 1 1 1 1 77 ARG HH21 6.705 . 6.81 0.48 8.2684e-01 25942 1 1 1 1 77 ARG N 122.396 . 120.8 3.68 6.6451e-01 25942 1 1 1 1 77 ARG NE 126.857 A 84.63 1.68 0.0000e+00 25942 1 1 1 1 87 ARG CA 56.322 . 56.77 2.31 8.4622e-01 25942 1 1 1 1 87 ARG CB 31.076 . 30.7 1.83 8.3721e-01 25942 1 1 1 1 87 ARG H 8.138 . 8.24 0.61 8.6720e-01 25942 1 1 1 1 87 ARG HA 4.258 . 4.3 0.46 9.2725e-01 25942 1 1 1 1 87 ARG HB2 1.723 . 1.79 0.27 8.0402e-01 25942 1 1 1 1 87 ARG HG3 1.568 . 1.54 0.29 9.2308e-01 25942 1 1 1 1 87 ARG HD2 3.152 . 3.12 0.24 8.9393e-01 25942 1 1 1 1 87 ARG HD3 3.149 . 3.1 0.26 8.5051e-01 25942 1 1 1 1 87 ARG HE 7.233 . 7.4 0.63 7.9095e-01 25942 1 1 1 1 87 ARG HH11 6.676 . 6.91 0.46 6.1097e-01 25942 1 1 1 1 87 ARG HH21 6.741 . 6.81 0.48 8.8570e-01 25942 1 1 1 1 87 ARG N 121.214 . 120.8 3.68 9.1043e-01 25942 1 1 1 1 87 ARG NE 126.811 A 84.63 1.68 0.0000e+00 25942 1 1 1 1 123 ARG CA 58.168 . 56.77 2.31 5.4505e-01 25942 1 1 1 1 123 ARG CB 30.771 . 30.7 1.83 9.6905e-01 25942 1 1 1 1 123 ARG H 8.067 . 8.24 0.61 7.7671e-01 25942 1 1 1 1 123 ARG HA 4.219 . 4.3 0.46 8.6023e-01 25942 1 1 1 1 123 ARG HB2 1.887 . 1.79 0.27 7.1940e-01 25942 1 1 1 1 123 ARG HG3 1.681 . 1.54 0.29 6.2682e-01 25942 1 1 1 1 123 ARG HD2 3.181 . 3.12 0.24 7.9937e-01 25942 1 1 1 1 123 ARG HE 7.359 . 7.4 0.63 9.4811e-01 25942 1 1 1 1 123 ARG HH12 6.756 . 6.8 0.33 8.9393e-01 25942 1 1 1 1 123 ARG HH21 6.756 . 6.81 0.48 9.1043e-01 25942 1 1 1 1 123 ARG N 119.411 . 120.8 3.68 7.0584e-01 25942 1 1 1 1 123 ARG NE 126.648 A 84.63 1.68 0.0000e+00 25942 1 1 1 1 151 ARG CA 57.767 . 56.77 2.31 6.6603e-01 25942 1 1 1 1 151 ARG CB 30.750 . 30.7 1.83 9.7820e-01 25942 1 1 1 1 151 ARG H 8.441 . 8.24 0.61 7.4177e-01 25942 1 1 1 1 151 ARG HA 4.236 . 4.3 0.46 8.8935e-01 25942 1 1 1 1 151 ARG HB2 1.844 . 1.79 0.27 8.4148e-01 25942 1 1 1 1 151 ARG HG2 1.664 . 1.57 0.27 7.2773e-01 25942 1 1 1 1 151 ARG HG3 1.707 . 1.54 0.29 5.6471e-01 25942 1 1 1 1 151 ARG HD2 3.181 . 3.12 0.24 7.9937e-01 25942 1 1 1 1 151 ARG HD3 3.178 . 3.1 0.26 7.6418e-01 25942 1 1 1 1 151 ARG HE 7.395 . 7.4 0.63 9.9367e-01 25942 1 1 1 1 151 ARG HH11 6.798 . 6.91 0.46 8.0763e-01 25942 1 1 1 1 151 ARG HH21 6.798 . 6.81 0.48 9.8006e-01 25942 1 1 1 1 151 ARG N 123.130 . 120.8 3.68 5.2663e-01 25942 1 1 1 1 151 ARG NE 126.636 A 84.63 1.68 0.0000e+00 25942 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 77 ARG ARG 0.15 25942 1 1 1 1 77 ARG HIS 0.15 25942 1 1 1 1 77 ARG CYS 0.12 25942 1 1 1 1 77 ARG TRP 0.12 25942 1 1 1 1 77 ARG GLU 0.12 25942 1 1 1 1 77 ARG MET 0.11 25942 1 1 1 1 77 ARG GLN 0.1 25942 1 1 1 1 77 ARG LYS 0.09 25942 1 1 1 1 87 ARG ARG 0.15 25942 1 1 1 1 87 ARG HIS 0.14 25942 1 1 1 1 87 ARG CYS 0.13 25942 1 1 1 1 87 ARG TRP 0.12 25942 1 1 1 1 87 ARG MET 0.12 25942 1 1 1 1 87 ARG GLU 0.11 25942 1 1 1 1 87 ARG LYS 0.09 25942 1 1 1 1 87 ARG GLN 0.09 25942 1 1 1 1 87 ARG VAL 0.01 25942 1 1 1 1 123 ARG CYS 0.16 25942 1 1 1 1 123 ARG TRP 0.15 25942 1 1 1 1 123 ARG GLU 0.14 25942 1 1 1 1 123 ARG ARG 0.14 25942 1 1 1 1 123 ARG HIS 0.12 25942 1 1 1 1 123 ARG GLN 0.08 25942 1 1 1 1 123 ARG LYS 0.07 25942 1 1 1 1 123 ARG MET 0.06 25942 1 1 1 1 123 ARG VAL 0.02 25942 1 1 1 1 123 ARG ILE 0.01 25942 1 1 1 1 151 ARG CYS 0.15 25942 1 1 1 1 151 ARG TRP 0.14 25942 1 1 1 1 151 ARG ARG 0.14 25942 1 1 1 1 151 ARG GLU 0.14 25942 1 1 1 1 151 ARG HIS 0.13 25942 1 1 1 1 151 ARG GLN 0.09 25942 1 1 1 1 151 ARG LYS 0.07 25942 1 1 1 1 151 ARG MET 0.07 25942 1 1 1 1 151 ARG VAL 0.02 25942 1 1 1 1 151 ARG ILE 0.01 25942 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25942 _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 25942 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25942 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25942 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25942 _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_