data_AVS_bmrb_pdb_report_19541 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19541 _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 17 ARG Anomalous Consistent Consistent Duplicate Duplicate Anomalous . . 19541 1 1 1 1 74 ARG Anomalous Consistent Consistent Duplicate Duplicate Anomalous . . 19541 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 17 ARG CA 55.261 D 56.77 2.31 5.1360e-01 19541 1 1 1 1 17 ARG CB 30.198 D 30.7 1.83 7.8384e-01 19541 1 1 1 1 17 ARG CG 26.857 . 27.21 1.2 7.6863e-01 19541 1 1 1 1 17 ARG CD 43.007 . 43.16 0.88 8.6197e-01 19541 1 1 1 1 17 ARG H 7.791 D 8.24 0.61 4.6169e-01 19541 1 1 1 1 17 ARG HA 4.294 D 4.3 0.46 9.8959e-01 19541 1 1 1 1 17 ARG HB2 1.601 . 1.79 0.27 4.8393e-01 19541 1 1 1 1 17 ARG HB3 1.750 . 1.76 0.28 9.7151e-01 19541 1 1 1 1 17 ARG HG2 1.467 . 1.57 0.27 7.0285e-01 19541 1 1 1 1 17 ARG HG3 1.198 . 1.54 0.29 2.3827e-01 19541 1 1 1 1 17 ARG HD2 3.078 . 3.12 0.24 8.6108e-01 19541 1 1 1 1 17 ARG HD3 3.078 . 3.1 0.26 9.3257e-01 19541 1 1 1 1 17 ARG HE 6.696 . 7.4 0.63 2.6380e-01 19541 1 1 1 1 17 ARG N 120.709 D 120.8 3.68 9.8027e-01 19541 1 1 1 1 17 ARG NE 123.205 A 84.63 1.68 0.0000e+00 19541 1 1 1 1 74 ARG CA 54.505 D 56.77 2.31 3.2683e-01 19541 1 1 1 1 74 ARG CB 28.812 D 30.7 1.83 3.0222e-01 19541 1 1 1 1 74 ARG CG 26.794 . 27.21 1.2 7.2884e-01 19541 1 1 1 1 74 ARG CD 43.312 . 43.16 0.88 8.6287e-01 19541 1 1 1 1 74 ARG H 8.770 D 8.24 0.61 3.8493e-01 19541 1 1 1 1 74 ARG HA 4.823 D 4.3 0.46 2.5556e-01 19541 1 1 1 1 74 ARG HB2 1.819 . 1.79 0.27 9.1447e-01 19541 1 1 1 1 74 ARG HB3 1.819 . 1.76 0.28 8.3311e-01 19541 1 1 1 1 74 ARG HG2 1.611 . 1.57 0.27 8.7930e-01 19541 1 1 1 1 74 ARG HG3 1.671 . 1.54 0.29 6.5147e-01 19541 1 1 1 1 74 ARG HD2 3.209 . 3.12 0.24 7.1076e-01 19541 1 1 1 1 74 ARG HD3 3.259 . 3.1 0.26 5.4084e-01 19541 1 1 1 1 74 ARG HE 7.297 D 7.4 0.63 8.7013e-01 19541 1 1 1 1 74 ARG N 125.184 D 120.8 3.68 2.3353e-01 19541 1 1 1 1 74 ARG NE 112.747 A 84.63 1.68 7.1272e-63 19541 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 17 ARG ARG 0.79 19541 1 1 1 1 17 ARG LYS 0.12 19541 1 1 1 1 17 ARG GLY 0.06 19541 1 1 1 1 17 ARG LEU 0.01 19541 1 1 1 1 74 ARG ARG 0.59 19541 1 1 1 1 74 ARG LEU 0.18 19541 1 1 1 1 74 ARG LYS 0.11 19541 1 1 1 1 74 ARG GLY 0.1 19541 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19541 _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 19541 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19541 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19541 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19541 _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_