data_AVS_bmrb_pdb_report_15750 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15750 _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 73 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 15750 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 73 ARG C 176.0 . 176.49 2.16 8.2054e-01 15750 1 1 1 1 73 ARG CA 56.0 . 56.95 2.41 6.9344e-01 15750 1 1 1 1 73 ARG CB 31.1 . 30.66 1.77 8.0368e-01 15750 1 1 1 1 73 ARG CG 25.9 . 27.31 1.65 3.9280e-01 15750 1 1 1 1 73 ARG CD 43.6 . 43.1 1.1 6.4944e-01 15750 1 1 1 1 73 ARG CZ 175.9 A 159.01 0.87 5.9006e-84 15750 1 1 1 1 73 ARG H 8.58 . 8.24 0.6 5.7094e-01 15750 1 1 1 1 73 ARG HA 4.39 . 4.27 0.44 7.8506e-01 15750 1 1 1 1 73 ARG HB2 1.65 . 1.79 0.28 6.1707e-01 15750 1 1 1 1 73 ARG HB3 1.75 . 1.78 0.28 9.1468e-01 15750 1 1 1 1 73 ARG HG2 1.66 . 1.58 0.27 7.6700e-01 15750 1 1 1 1 73 ARG HG3 1.66 . 1.58 0.27 7.6700e-01 15750 1 1 1 1 73 ARG HD2 2.54 . 3.13 0.23 1.0311e-02 15750 1 1 1 1 73 ARG HD3 2.92 . 3.13 0.22 3.3981e-01 15750 1 1 1 1 73 ARG HE 7.22 . 7.32 0.52 8.4750e-01 15750 1 1 1 1 73 ARG N 123.4 . 120.61 3.9 4.7437e-01 15750 1 1 1 1 73 ARG NE 83.3 . 89.8 12.83 6.1242e-01 15750 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 73 ARG GLY 0.56 15750 1 1 1 1 73 ARG ASP 0.37 15750 1 1 1 1 73 ARG ASN 0.05 15750 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15750 _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 15750 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15750 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15750 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15750 _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_