data_AVS_bmrb_pdb_report_30380 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30380 _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 11 DPN UNSUPPORTED . . . . . . . 30380 1 1 1 1 12 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 30380 1 1 1 1 14 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30380 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 12 ARG CA 55.464 . 56.77 2.31 5.7182e-01 30380 1 1 1 1 12 ARG CB 29.804 . 30.7 1.83 6.2440e-01 30380 1 1 1 1 12 ARG CG 26.211 . 27.21 1.2 4.0513e-01 30380 1 1 1 1 12 ARG CD 42.995 . 43.16 0.88 8.5127e-01 30380 1 1 1 1 12 ARG H 7.838 . 8.24 0.61 5.0989e-01 30380 1 1 1 1 12 ARG HA 3.954 . 4.3 0.46 4.5195e-01 30380 1 1 1 1 12 ARG HB2 1.264 . 1.79 0.27 5.1397e-02 30380 1 1 1 1 12 ARG HB3 0.795 S 1.76 0.28 5.6805e-04 30380 1 1 1 1 12 ARG HG2 0.602 S 1.57 0.27 3.3684e-04 30380 1 1 1 1 12 ARG HG3 0.457 S 1.54 0.29 1.8810e-04 30380 1 1 1 1 12 ARG HD2 2.702 . 3.12 0.24 8.1567e-02 30380 1 1 1 1 12 ARG HD3 2.702 . 3.1 0.26 1.2583e-01 30380 1 1 1 1 12 ARG HE 6.820 . 7.4 0.63 3.5724e-01 30380 1 1 1 1 12 ARG N 122.057 . 120.8 3.68 7.3267e-01 30380 1 1 1 1 12 ARG NE 119.932 A 84.63 1.68 0.0000e+00 30380 1 1 1 1 14 ARG CA 56.232 . 56.77 2.31 8.1584e-01 30380 1 1 1 1 14 ARG CB 29.626 . 30.7 1.83 5.5728e-01 30380 1 1 1 1 14 ARG CG 26.910 . 27.21 1.2 8.0259e-01 30380 1 1 1 1 14 ARG CD 43.462 . 43.16 0.88 7.3146e-01 30380 1 1 1 1 14 ARG H 8.171 . 8.24 0.61 9.0994e-01 30380 1 1 1 1 14 ARG HA 4.175 . 4.3 0.46 7.8582e-01 30380 1 1 1 1 14 ARG HB2 1.753 . 1.79 0.27 8.9100e-01 30380 1 1 1 1 14 ARG HB3 1.646 . 1.76 0.28 6.8390e-01 30380 1 1 1 1 14 ARG HG2 1.491 . 1.57 0.27 7.6983e-01 30380 1 1 1 1 14 ARG HG3 1.491 . 1.54 0.29 8.6582e-01 30380 1 1 1 1 14 ARG HD2 3.046 . 3.12 0.24 7.5783e-01 30380 1 1 1 1 14 ARG HD3 3.046 . 3.1 0.26 8.3547e-01 30380 1 1 1 1 14 ARG HE 7.034 . 7.4 0.63 5.6127e-01 30380 1 1 1 1 14 ARG N 119.870 . 120.8 3.68 8.0049e-01 30380 1 1 1 1 14 ARG NE 119.762 A 84.63 1.68 0.0000e+00 30380 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 12 ARG ARG 0.57 30380 1 1 1 1 12 ARG CYS 0.42 30380 1 1 1 1 14 ARG ARG 0.56 30380 1 1 1 1 14 ARG CYS 0.43 30380 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30380 _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 30380 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30380 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30380 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30380 _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_