data_AVS_bmrb_pdb_report_30457 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30457 _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 73 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 30457 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 73 ARG C 178.015 . 176.41 2.03 4.2915e-01 30457 1 1 1 1 73 ARG CA 58.771 . 56.77 2.31 3.8636e-01 30457 1 1 1 1 73 ARG CB 31.579 . 30.7 1.83 6.3099e-01 30457 1 1 1 1 73 ARG CG 27.296 . 27.21 1.2 9.4287e-01 30457 1 1 1 1 73 ARG CD 44.164 . 43.16 0.88 2.5391e-01 30457 1 1 1 1 73 ARG H 8.210 . 8.24 0.61 9.6078e-01 30457 1 1 1 1 73 ARG HA 3.994 . 4.3 0.46 5.0591e-01 30457 1 1 1 1 73 ARG HB2 1.837 . 1.79 0.27 8.6181e-01 30457 1 1 1 1 73 ARG HB3 1.839 . 1.76 0.28 7.7783e-01 30457 1 1 1 1 73 ARG HG2 1.551 . 1.57 0.27 9.4390e-01 30457 1 1 1 1 73 ARG HG3 1.550 . 1.54 0.29 9.7249e-01 30457 1 1 1 1 73 ARG HD2 2.975 . 3.12 0.24 5.4573e-01 30457 1 1 1 1 73 ARG HD3 2.974 . 3.1 0.26 6.2795e-01 30457 1 1 1 1 73 ARG HE 10.041 S 7.4 0.63 2.7643e-05 30457 1 1 1 1 73 ARG N 116.206 . 120.8 3.68 2.1190e-01 30457 1 1 1 1 73 ARG NE 120.177 A 84.63 1.68 0.0000e+00 30457 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 73 ARG ARG 0.63 30457 1 1 1 1 73 ARG GLY 0.34 30457 1 1 1 1 73 ARG LYS 0.02 30457 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30457 _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 30457 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30457 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30457 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30457 _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_