data_AVS_bmrb_pdb_report_15989 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15989 _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 40 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 15989 1 1 1 1 91 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 15989 1 1 1 1 93 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 15989 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 40 ARG C 178.204 . 176.49 2.16 4.2748e-01 15989 1 1 1 1 40 ARG CA 58.264 . 56.95 2.41 5.8560e-01 15989 1 1 1 1 40 ARG CB 29.44 . 30.66 1.77 4.9066e-01 15989 1 1 1 1 40 ARG CG 26.815 . 27.31 1.65 7.6418e-01 15989 1 1 1 1 40 ARG CD 43.463 . 43.1 1.1 7.4140e-01 15989 1 1 1 1 40 ARG H 7.589 . 8.24 0.6 2.7792e-01 15989 1 1 1 1 40 ARG HA 1.821 A 4.27 0.44 2.6079e-08 15989 1 1 1 1 40 ARG HB2 0.065 S 1.79 0.28 7.2418e-10 15989 1 1 1 1 40 ARG HB3 1.149 . 1.78 0.28 2.4223e-02 15989 1 1 1 1 40 ARG HG2 0.793 . 1.58 0.27 3.5590e-03 15989 1 1 1 1 40 ARG HG3 1.035 . 1.58 0.27 4.3537e-02 15989 1 1 1 1 40 ARG HD2 3.035 . 3.13 0.23 6.7957e-01 15989 1 1 1 1 40 ARG HD3 2.777 . 3.13 0.22 1.0859e-01 15989 1 1 1 1 40 ARG N 121.272 . 120.61 3.9 8.6521e-01 15989 1 1 1 1 91 ARG C 178.063 . 176.49 2.16 4.6647e-01 15989 1 1 1 1 91 ARG CA 58.5 . 56.95 2.41 5.2012e-01 15989 1 1 1 1 91 ARG CB 28.969 . 30.66 1.77 3.3939e-01 15989 1 1 1 1 91 ARG CG 26.581 . 27.31 1.65 6.5862e-01 15989 1 1 1 1 91 ARG CD 43.465 . 43.1 1.1 7.4003e-01 15989 1 1 1 1 91 ARG H 7.749 . 8.24 0.6 4.1317e-01 15989 1 1 1 1 91 ARG HA 2.077 A 4.27 0.44 6.2254e-07 15989 1 1 1 1 91 ARG HB2 0.089 S 1.79 0.28 1.2399e-09 15989 1 1 1 1 91 ARG HB3 1.205 . 1.78 0.28 4.0017e-02 15989 1 1 1 1 91 ARG HG2 0.973 . 1.58 0.27 2.4567e-02 15989 1 1 1 1 91 ARG HG3 1.059 . 1.58 0.27 5.3653e-02 15989 1 1 1 1 91 ARG HD2 2.894 . 3.13 0.23 3.0485e-01 15989 1 1 1 1 91 ARG HD3 3.045 . 3.13 0.22 6.9923e-01 15989 1 1 1 1 91 ARG N 120.23 . 120.61 3.9 9.2238e-01 15989 1 1 1 1 93 ARG C 177.737 . 176.49 2.16 5.6373e-01 15989 1 1 1 1 93 ARG CA 57.263 . 56.95 2.41 8.9667e-01 15989 1 1 1 1 93 ARG CB 29.141 . 30.66 1.77 3.9079e-01 15989 1 1 1 1 93 ARG CG 22.839 . 27.31 1.65 6.7345e-03 15989 1 1 1 1 93 ARG CD 42.759 . 43.1 1.1 7.5656e-01 15989 1 1 1 1 93 ARG H 7.872 . 8.24 0.6 5.3966e-01 15989 1 1 1 1 93 ARG HA 3.61 . 4.27 0.44 1.3361e-01 15989 1 1 1 1 93 ARG HB2 1.358 . 1.79 0.28 1.2287e-01 15989 1 1 1 1 93 ARG HB3 0.778 S 1.78 0.28 3.4548e-04 15989 1 1 1 1 93 ARG HG2 0.475 S 1.58 0.27 4.2658e-05 15989 1 1 1 1 93 ARG HG3 -0.57 A 1.58 0.27 1.6797e-15 15989 1 1 1 1 93 ARG HD2 2.468 . 3.13 0.23 3.9987e-03 15989 1 1 1 1 93 ARG HD3 1.003 A 3.13 0.22 4.1163e-22 15989 1 1 1 1 93 ARG HE 8.472 . 7.32 0.52 2.6734e-02 15989 1 1 1 1 93 ARG N 122.36 . 120.61 3.9 6.5363e-01 15989 1 1 1 1 93 ARG NE 87.046 . 89.8 12.83 8.3004e-01 15989 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 40 ARG ARG 0.41 15989 1 1 1 1 40 ARG CYS 0.34 15989 1 1 1 1 40 ARG LYS 0.1 15989 1 1 1 1 40 ARG GLY 0.08 15989 1 1 1 1 40 ARG LEU 0.04 15989 1 1 1 1 91 ARG ARG 0.37 15989 1 1 1 1 91 ARG CYS 0.32 15989 1 1 1 1 91 ARG LYS 0.12 15989 1 1 1 1 91 ARG GLY 0.08 15989 1 1 1 1 91 ARG LEU 0.08 15989 1 1 1 1 93 ARG CYS 0.44 15989 1 1 1 1 93 ARG LYS 0.26 15989 1 1 1 1 93 ARG LEU 0.18 15989 1 1 1 1 93 ARG ARG 0.04 15989 1 1 1 1 93 ARG GLY 0.04 15989 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15989 _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.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 15989 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15989 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15989 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15989 _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_