data_AVS_bmrb_pdb_report_10104 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10104 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10104 1 1 1 1 112 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10104 1 1 1 1 112 ARG C 173.183 . 176.49 2.16 1.2576e-01 10104 1 1 1 1 112 ARG CA 52.957 . 56.95 2.41 9.7550e-02 10104 1 1 1 1 112 ARG CB 32.918 . 30.66 1.77 2.0206e-01 10104 1 1 1 1 112 ARG CG 25.354 . 27.31 1.65 2.3584e-01 10104 1 1 1 1 112 ARG CD 42.677 . 43.1 1.1 7.0057e-01 10104 1 1 1 1 112 ARG H 9.047 . 8.24 0.6 1.7862e-01 10104 1 1 1 1 112 ARG HA 4.336 . 4.27 0.44 8.8076e-01 10104 1 1 1 1 112 ARG HB2 -0.772 M 1.79 0.28 5.6934e-20 10104 1 1 1 1 112 ARG HB3 0.920 . 1.78 0.28 2.1304e-03 10104 1 1 1 1 112 ARG HG2 0.877 . 1.58 0.27 9.2222e-03 10104 1 1 1 1 112 ARG HG3 0.326 S 1.58 0.27 3.4099e-06 10104 1 1 1 1 112 ARG HD2 2.708 . 3.13 0.23 6.6538e-02 10104 1 1 1 1 112 ARG HD3 2.984 . 3.13 0.22 5.0692e-01 10104 1 1 1 1 112 ARG HE 6.880 . 7.32 0.52 3.9747e-01 10104 1 1 1 1 112 ARG N 128.209 . 120.61 3.9 5.1360e-02 10104 1 1 1 1 112 ARG NE 84.435 . 89.8 12.83 6.7583e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 10104 1 1 1 1 112 ARG CYS 0.37 10104 1 1 1 1 112 ARG LYS 0.37 10104 1 1 1 1 112 ARG ARG 0.18 10104 1 1 1 1 112 ARG GLY 0.05 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10104 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 10104 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 10104 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10104 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10104 _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_