data_AVS_bmrb_pdb_report_6582 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6582 _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 6582 1 1 1 1 60 LYS Anomalous Suspicious Consistent Indeterminable Anomalous Indeterminable . . 6582 1 1 1 1 126 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HG2" 0.9976 6582 1 1 1 1 126 ARG . . . . . . "HD3 > HG2" 0.9974 6582 1 1 1 1 126 ARG . . . . . . "HD2 > HG3" 0.9983 6582 1 1 1 1 126 ARG . . . . . . "HD3 > HG3" 0.9982 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 6582 1 1 1 1 60 LYS C 173.70 . 176.46 2.05 1.7819e-01 6582 1 1 1 1 60 LYS CA 63.38 M 56.84 2.25 3.6530e-03 6582 1 1 1 1 60 LYS CB 43.76 S 32.83 1.88 6.1060e-09 6582 1 1 1 1 126 ARG C 175.92 . 176.49 2.16 7.9187e-01 6582 1 1 1 1 126 ARG CA 56.58 . 56.95 2.41 8.7798e-01 6582 1 1 1 1 126 ARG CB 30.56 . 30.66 1.77 9.5495e-01 6582 1 1 1 1 126 ARG CG 26.96 . 27.31 1.65 8.3201e-01 6582 1 1 1 1 126 ARG CD 43.55 . 43.1 1.1 6.8247e-01 6582 1 1 1 1 126 ARG H 8.23 . 8.24 0.6 9.8670e-01 6582 1 1 1 1 126 ARG HA 4.33 . 4.27 0.44 8.9153e-01 6582 1 1 1 1 126 ARG HB2 1.97 . 1.79 0.28 5.2032e-01 6582 1 1 1 1 126 ARG HB3 1.97 . 1.78 0.28 4.9741e-01 6582 1 1 1 1 126 ARG HG2 3.17 M 1.58 0.27 3.8880e-09 6582 1 1 1 1 126 ARG HG3 3.17 M 1.58 0.27 3.8880e-09 6582 1 1 1 1 126 ARG HD2 2.36 S 3.13 0.23 8.1448e-04 6582 1 1 1 1 126 ARG HD3 2.86 . 3.13 0.22 2.1972e-01 6582 1 1 1 1 126 ARG N 121.84 . 120.61 3.9 7.5247e-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 6582 1 1 1 1 60 LYS GLY 0.58 6582 1 1 1 1 60 LYS CYS 0.17 6582 1 1 1 1 60 LYS ILE 0.08 6582 1 1 1 1 60 LYS PHE 0.06 6582 1 1 1 1 60 LYS ARG 0.05 6582 1 1 1 1 60 LYS TYR 0.03 6582 1 1 1 1 126 ARG ARG 0.44 6582 1 1 1 1 126 ARG CYS 0.37 6582 1 1 1 1 126 ARG GLY 0.09 6582 1 1 1 1 126 ARG LYS 0.07 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6582 _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 6582 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 6582 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6582 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6582 _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_