data_AVS_bmrb_pdb_report_30291 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30291 _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 4 HYP UNSUPPORTED . . . . . . . 30291 1 1 1 1 6 HYP UNSUPPORTED . . . . . . . 30291 1 1 1 1 11 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30291 1 1 1 1 13 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30291 1 1 1 1 218 NH UNSUPPORTED . . . . . . . 30291 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 11 ARG CA 57.653 . 56.77 2.31 7.0227e-01 30291 1 1 1 1 11 ARG CB 30.142 . 30.7 1.83 7.6043e-01 30291 1 1 1 1 11 ARG CG 26.391 . 27.21 1.2 4.9492e-01 30291 1 1 1 1 11 ARG H 8.274 . 8.24 0.61 9.5555e-01 30291 1 1 1 1 11 ARG HA 3.876 . 4.3 0.46 3.5666e-01 30291 1 1 1 1 11 ARG HB2 1.587 . 1.79 0.27 4.5214e-01 30291 1 1 1 1 11 ARG HB3 1.694 . 1.76 0.28 8.1365e-01 30291 1 1 1 1 11 ARG HG2 1.494 . 1.57 0.27 7.7834e-01 30291 1 1 1 1 11 ARG HG3 1.494 . 1.54 0.29 8.7397e-01 30291 1 1 1 1 11 ARG HD2 3.026 . 3.12 0.24 6.9530e-01 30291 1 1 1 1 11 ARG HD3 3.026 . 3.1 0.26 7.7594e-01 30291 1 1 1 1 11 ARG HE 7.034 . 7.4 0.63 5.6127e-01 30291 1 1 1 1 11 ARG N 124.459 . 120.8 3.68 3.2008e-01 30291 1 1 1 1 11 ARG NE 124.819 A 84.63 1.68 0.0000e+00 30291 1 1 1 1 13 ARG CB 35.263 . 30.7 1.83 1.2651e-02 30291 1 1 1 1 13 ARG H 8.426 . 8.24 0.61 7.6043e-01 30291 1 1 1 1 13 ARG HA 4.800 . 4.3 0.46 2.7706e-01 30291 1 1 1 1 13 ARG HB2 1.769 . 1.79 0.27 9.3801e-01 30291 1 1 1 1 13 ARG HB3 2.072 . 1.76 0.28 2.6516e-01 30291 1 1 1 1 13 ARG HG2 1.570 . 1.57 0.27 1.0000e+00 30291 1 1 1 1 13 ARG HG3 1.570 . 1.54 0.29 9.1761e-01 30291 1 1 1 1 13 ARG HD2 3.213 . 3.12 0.24 6.9839e-01 30291 1 1 1 1 13 ARG HD3 3.128 . 3.1 0.26 9.1424e-01 30291 1 1 1 1 13 ARG HE 6.887 . 7.4 0.63 4.1548e-01 30291 1 1 1 1 13 ARG N 123.550 . 120.8 3.68 4.5489e-01 30291 1 1 1 1 13 ARG NE 124.610 A 84.63 1.68 0.0000e+00 30291 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 11 ARG CYS 0.5 30291 1 1 1 1 11 ARG ARG 0.48 30291 1 1 1 1 13 ARG CYS 0.67 30291 1 1 1 1 13 ARG VAL 0.16 30291 1 1 1 1 13 ARG TYR 0.06 30291 1 1 1 1 13 ARG ASN 0.04 30291 1 1 1 1 13 ARG PHE 0.02 30291 1 1 1 1 13 ARG HIS 0.01 30291 1 1 1 1 13 ARG ARG 0.01 30291 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30291 _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 30291 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30291 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30291 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30291 _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_