data_AVS_bmrb_pdb_report_6981 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6981 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6981 1 1 1 1 23 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE > HA" 0.9911 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6981 1 1 1 1 23 ARG C 175.828 . 176.49 2.16 7.5924e-01 6981 1 1 1 1 23 ARG CA 55.970 . 56.95 2.41 6.8427e-01 6981 1 1 1 1 23 ARG CB 30.853 . 30.66 1.77 9.1317e-01 6981 1 1 1 1 23 ARG CG 26.825 . 27.31 1.65 7.6880e-01 6981 1 1 1 1 23 ARG CD 43.126 . 43.1 1.1 9.8114e-01 6981 1 1 1 1 23 ARG H 8.013 . 8.24 0.6 7.0518e-01 6981 1 1 1 1 23 ARG HA 4.258 . 4.27 0.44 9.7824e-01 6981 1 1 1 1 23 ARG HB2 1.761 . 1.79 0.28 9.1751e-01 6981 1 1 1 1 23 ARG HB3 1.643 . 1.78 0.28 6.2464e-01 6981 1 1 1 1 23 ARG HG2 1.521 . 1.58 0.27 8.2703e-01 6981 1 1 1 1 23 ARG HG3 1.521 . 1.58 0.27 8.2703e-01 6981 1 1 1 1 23 ARG HD2 3.083 . 3.13 0.23 8.3808e-01 6981 1 1 1 1 23 ARG HD3 3.083 . 3.13 0.22 8.3083e-01 6981 1 1 1 1 23 ARG HE 3.084 M 7.32 0.52 3.7568e-16 6981 1 1 1 1 23 ARG N 120.483 . 120.61 3.9 9.7402e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6981 1 1 1 1 23 ARG ARG 0.7 6981 1 1 1 1 23 ARG LYS 0.19 6981 1 1 1 1 23 ARG GLY 0.08 6981 1 1 1 1 23 ARG LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6981 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 6981 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 6981 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6981 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6981 _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_