data_AVS_bmrb_pdb_report_19609 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19609 _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 Consistent Consistent Consistent Consistent Anomalous . . 19609 1 1 1 2 68 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19609 1 1 1 2 85 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19609 1 1 1 3 1 U UNSUPPORTED . . . . . . . 19609 1 1 1 3 2 GLY UNSUPPORTED . . . . . . . 19609 1 1 1 3 3 CYS UNSUPPORTED . . . . . . . 19609 1 1 1 3 4 ALA UNSUPPORTED . . . . . . . 19609 1 1 1 3 5 U UNSUPPORTED . . . . . . . 19609 1 1 1 3 6 GLY UNSUPPORTED . . . . . . . 19609 1 1 1 3 7 GLY UNSUPPORTED . . . . . . . 19609 1 1 1 3 8 U UNSUPPORTED . . . . . . . 19609 1 1 1 3 9 GLY UNSUPPORTED . . . . . . . 19609 1 1 1 3 10 U UNSUPPORTED . . . . . . . 19609 1 1 1 3 11 GLY UNSUPPORTED . . . . . . . 19609 1 1 1 3 12 CYS UNSUPPORTED . . . . . . . 19609 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 CA 55.785 . 56.77 2.31 6.6981e-01 19609 1 1 1 1 73 ARG CB 29.623 . 30.7 1.83 5.5618e-01 19609 1 1 1 1 73 ARG CG 27.461 . 27.21 1.2 8.3432e-01 19609 1 1 1 1 73 ARG CD 43.363 . 43.16 0.88 8.1756e-01 19609 1 1 1 1 73 ARG H 8.461 . 8.24 0.61 7.1713e-01 19609 1 1 1 1 73 ARG HA 4.468 . 4.3 0.46 7.1495e-01 19609 1 1 1 1 73 ARG HB2 1.565 . 1.79 0.27 4.0466e-01 19609 1 1 1 1 73 ARG HB3 1.565 . 1.76 0.28 4.8616e-01 19609 1 1 1 1 73 ARG HG2 1.355 . 1.57 0.27 4.2586e-01 19609 1 1 1 1 73 ARG HG3 1.268 . 1.54 0.29 3.4828e-01 19609 1 1 1 1 73 ARG HD2 3.107 . 3.12 0.24 9.5680e-01 19609 1 1 1 1 73 ARG HD3 3.107 . 3.1 0.26 9.7852e-01 19609 1 1 1 1 73 ARG HE 6.606 . 7.4 0.63 2.0755e-01 19609 1 1 1 1 73 ARG N 123.576 . 120.8 3.68 4.5064e-01 19609 1 1 1 1 73 ARG NE 110.362 A 84.63 1.68 5.9175e-53 19609 1 1 1 2 68 ARG CA 59.360 . 56.77 2.31 2.6220e-01 19609 1 1 1 2 68 ARG CB 30.376 . 30.7 1.83 8.5947e-01 19609 1 1 1 2 68 ARG CG 26.870 . 27.21 1.2 7.7692e-01 19609 1 1 1 2 68 ARG CD 43.896 . 43.16 0.88 4.0295e-01 19609 1 1 1 2 68 ARG H 8.735 . 8.24 0.61 4.1709e-01 19609 1 1 1 2 68 ARG HA 4.098 . 4.3 0.46 6.6057e-01 19609 1 1 1 2 68 ARG HB2 1.859 . 1.79 0.27 7.9829e-01 19609 1 1 1 2 68 ARG HB3 1.904 . 1.76 0.28 6.0705e-01 19609 1 1 1 2 68 ARG HG2 1.812 . 1.57 0.27 3.7009e-01 19609 1 1 1 2 68 ARG HG3 1.646 . 1.54 0.29 7.1473e-01 19609 1 1 1 2 68 ARG HD2 2.976 . 3.12 0.24 5.4851e-01 19609 1 1 1 2 68 ARG HD3 3.041 . 3.1 0.26 8.2048e-01 19609 1 1 1 2 68 ARG HE 7.208 . 7.4 0.63 7.6055e-01 19609 1 1 1 2 68 ARG N 121.565 . 120.8 3.68 8.3532e-01 19609 1 1 1 2 68 ARG NE 123.782 A 84.63 1.68 0.0000e+00 19609 1 1 1 2 85 ARG CA 54.455 . 56.77 2.31 3.1626e-01 19609 1 1 1 2 85 ARG CB 34.643 . 30.7 1.83 3.1190e-02 19609 1 1 1 2 85 ARG CD 42.713 . 43.16 0.88 6.1149e-01 19609 1 1 1 2 85 ARG H 7.706 . 8.24 0.61 3.8135e-01 19609 1 1 1 2 85 ARG HA 4.570 . 4.3 0.46 5.5723e-01 19609 1 1 1 2 85 ARG HB2 1.478 . 1.79 0.27 2.4786e-01 19609 1 1 1 2 85 ARG HB3 1.610 . 1.76 0.28 5.9216e-01 19609 1 1 1 2 85 ARG HD2 2.884 . 3.12 0.24 3.2544e-01 19609 1 1 1 2 85 ARG HD3 2.819 . 3.1 0.26 2.7980e-01 19609 1 1 1 2 85 ARG HE 6.805 . 7.4 0.63 3.4494e-01 19609 1 1 1 2 85 ARG N 123.183 . 120.8 3.68 5.1727e-01 19609 1 1 1 2 85 ARG NE 125.135 A 84.63 1.68 0.0000e+00 19609 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 ARG 0.51 19609 1 1 1 1 73 ARG CYS 0.35 19609 1 1 1 1 73 ARG GLY 0.07 19609 1 1 1 1 73 ARG LYS 0.03 19609 1 1 1 1 73 ARG LEU 0.02 19609 1 1 1 2 68 ARG CYS 0.46 19609 1 1 1 2 68 ARG ARG 0.37 19609 1 1 1 2 68 ARG GLY 0.14 19609 1 1 1 2 85 ARG CYS 0.48 19609 1 1 1 2 85 ARG LYS 0.34 19609 1 1 1 2 85 ARG ARG 0.11 19609 1 1 1 2 85 ARG GLY 0.04 19609 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19609 _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 19609 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19609 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19609 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19609 _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_