data_AVS_bmrb_pdb_report_6059 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6059 _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 59 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 6059 1 1 1 1 59 ARG . . . . . . "HD3 > HB2" 0.9950 6059 1 1 1 1 59 ARG . . . . . . "HD2 > HG2" 0.9976 6059 1 1 1 1 59 ARG . . . . . . "HD3 > HG2" 0.9974 6059 1 1 1 1 59 ARG . . . . . . "HD2 > HG3" 0.9983 6059 1 1 1 1 59 ARG . . . . . . "HD3 > HG3" 0.9982 6059 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 6059 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 59 ARG CA 57.075 . 56.77 2.31 8.9496e-01 6059 1 1 1 1 59 ARG CB 31.553 . 30.7 1.83 6.4113e-01 6059 1 1 1 1 59 ARG H 7.85 . 8.24 0.61 5.2260e-01 6059 1 1 1 1 59 ARG HA 4.202 . 4.3 0.46 8.3129e-01 6059 1 1 1 1 59 ARG HB2 1.81 . 1.79 0.27 9.4095e-01 6059 1 1 1 1 59 ARG HG2 3.86 A 1.57 0.27 2.2234e-17 6059 1 1 1 1 59 ARG HG3 3.16 S 1.54 0.29 2.3208e-08 6059 1 1 1 1 59 ARG HD2 1.55 S 3.12 0.24 6.0837e-11 6059 1 1 1 1 59 ARG HD3 1.55 S 3.1 0.26 2.4987e-09 6059 1 1 1 1 59 ARG N 131.969 . 120.8 3.68 2.4049e-03 6059 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 59 ARG CYS 0.17 6059 1 1 1 1 59 ARG ARG 0.16 6059 1 1 1 1 59 ARG HIS 0.14 6059 1 1 1 1 59 ARG LYS 0.14 6059 1 1 1 1 59 ARG TRP 0.13 6059 1 1 1 1 59 ARG GLU 0.12 6059 1 1 1 1 59 ARG GLN 0.07 6059 1 1 1 1 59 ARG VAL 0.02 6059 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6059 _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 6059 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6059 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6059 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6059 _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_