data_AVS_bmrb_pdb_report_4445 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4445 _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 4445 1 1 1 1 73 ARG Anomalous Consistent Suspicious Anomalous Consistent Duplicate "HD3 > HB2" 0.9950 4445 1 1 1 1 73 ARG . . . . . . "HD3 > HB3" 0.9958 4445 1 1 1 1 73 ARG . . . . . . "HD3 > HG2" 0.9974 4445 1 1 1 1 73 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 4445 1 1 1 1 73 ARG CA 54.441 . 56.95 2.41 2.9784e-01 4445 1 1 1 1 73 ARG CB 29.646 . 30.66 1.77 5.6672e-01 4445 1 1 1 1 73 ARG CG 25.559 . 27.31 1.65 2.8859e-01 4445 1 1 1 1 73 ARG CD 41.635 . 43.1 1.1 1.8292e-01 4445 1 1 1 1 73 ARG H 7.334 D 8.24 0.6 1.3104e-01 4445 1 1 1 1 73 ARG HA 4.550 D 4.27 0.44 5.2454e-01 4445 1 1 1 1 73 ARG HB2 2.105 D 1.79 0.28 2.6059e-01 4445 1 1 1 1 73 ARG HB3 1.840 D 1.78 0.28 8.3032e-01 4445 1 1 1 1 73 ARG HG2 1.412 D 1.58 0.27 5.3380e-01 4445 1 1 1 1 73 ARG HG3 1.234 D 1.58 0.27 2.0002e-01 4445 1 1 1 1 73 ARG HD2 2.527 D 3.13 0.23 8.7482e-03 4445 1 1 1 1 73 ARG HD3 1.215 M 3.13 0.22 3.1885e-18 4445 1 1 1 1 73 ARG N 116.187 D 120.61 3.9 2.5675e-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 4445 1 1 1 1 73 ARG LYS 0.57 4445 1 1 1 1 73 ARG ARG 0.27 4445 1 1 1 1 73 ARG LEU 0.14 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4445 _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 4445 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 4445 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4445 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4445 _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_