data_AVS_bmrb_pdb_report_5294 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5294 _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 5294 1 1 1 1 84 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 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 5294 1 1 1 1 84 ARG CA 54.50 . 56.95 2.41 3.0935e-01 5294 1 1 1 1 84 ARG H 7.88 . 8.24 0.6 5.4851e-01 5294 1 1 1 1 84 ARG HA 4.93 . 4.27 0.44 1.3361e-01 5294 1 1 1 1 84 ARG HB2 1.77 . 1.79 0.28 9.4306e-01 5294 1 1 1 1 84 ARG HB3 2.02 . 1.78 0.28 3.9137e-01 5294 1 1 1 1 84 ARG HG2 3.23 M 1.58 0.27 9.8940e-10 5294 1 1 1 1 84 ARG N 117.68 . 120.61 3.9 4.5248e-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 5294 1 1 1 1 84 ARG ASP 0.17 5294 1 1 1 1 84 ARG LEU 0.1 5294 1 1 1 1 84 ARG ASN 0.1 5294 1 1 1 1 84 ARG ALA 0.09 5294 1 1 1 1 84 ARG MET 0.08 5294 1 1 1 1 84 ARG HIS 0.07 5294 1 1 1 1 84 ARG CYS 0.07 5294 1 1 1 1 84 ARG GLN 0.06 5294 1 1 1 1 84 ARG ARG 0.05 5294 1 1 1 1 84 ARG LYS 0.05 5294 1 1 1 1 84 ARG GLU 0.03 5294 1 1 1 1 84 ARG TYR 0.03 5294 1 1 1 1 84 ARG PHE 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5294 _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 5294 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 5294 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5294 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5294 _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_