data_AVS_bmrb_pdb_report_4590 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4590 _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 4590 1 1 1 1 15 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 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 4590 1 1 1 1 15 ARG CA 56.06 . 56.95 2.41 7.1191e-01 4590 1 1 1 1 15 ARG CB 29.98 . 30.66 1.77 7.0084e-01 4590 1 1 1 1 15 ARG CG 25.57 . 27.31 1.65 2.9163e-01 4590 1 1 1 1 15 ARG CD 43.76 . 43.1 1.1 5.4851e-01 4590 1 1 1 1 15 ARG H 7.93 . 8.24 0.6 6.0539e-01 4590 1 1 1 1 15 ARG HA 2.06 M 4.27 0.44 5.0943e-07 4590 1 1 1 1 15 ARG HB2 0.55 S 1.79 0.28 9.4859e-06 4590 1 1 1 1 15 ARG HB3 0.71 S 1.78 0.28 1.3268e-04 4590 1 1 1 1 15 ARG HG2 0.26 S 1.58 0.27 1.0141e-06 4590 1 1 1 1 15 ARG HG3 0.59 S 1.58 0.27 2.4573e-04 4590 1 1 1 1 15 ARG HD2 2.61 . 3.13 0.23 2.3767e-02 4590 1 1 1 1 15 ARG HD3 2.80 . 3.13 0.22 1.3361e-01 4590 1 1 1 1 15 ARG N 121.57 . 120.61 3.9 8.0556e-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 4590 1 1 1 1 15 ARG ARG 0.35 4590 1 1 1 1 15 ARG CYS 0.34 4590 1 1 1 1 15 ARG GLY 0.12 4590 1 1 1 1 15 ARG LYS 0.12 4590 1 1 1 1 15 ARG LEU 0.05 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4590 _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 4590 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 4590 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4590 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4590 _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_