data_AVS_bmrb_pdb_report_16049 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16049 _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 78 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 16049 1 1 1 1 78 ARG . . . . . . "HD3 > HB3" 0.9958 16049 1 1 1 1 78 ARG . . . . . . "HD3 > HG2" 0.9974 16049 1 1 1 1 78 ARG . . . . . . "HD3 > HG3" 0.9982 16049 1 1 1 2 1 EIC UNSUPPORTED . . . . . . . 16049 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 78 ARG CA 55.759 . 56.95 2.41 6.2117e-01 16049 1 1 1 1 78 ARG CB 30.880 . 30.66 1.77 9.0108e-01 16049 1 1 1 1 78 ARG CD 42.563 . 43.1 1.1 6.2542e-01 16049 1 1 1 1 78 ARG H 7.384 . 8.24 0.6 1.5368e-01 16049 1 1 1 1 78 ARG HA 4.118 . 4.27 0.44 7.2975e-01 16049 1 1 1 1 78 ARG HB2 1.140 . 1.79 0.28 2.0264e-02 16049 1 1 1 1 78 ARG HB3 0.496 S 1.78 0.28 4.5244e-06 16049 1 1 1 1 78 ARG HG2 0.950 . 1.58 0.27 1.9631e-02 16049 1 1 1 1 78 ARG HG3 0.730 . 1.58 0.27 1.6431e-03 16049 1 1 1 1 78 ARG HD2 2.340 S 3.13 0.23 5.9303e-04 16049 1 1 1 1 78 ARG HD3 0.230 A 3.13 0.22 1.1167e-39 16049 1 1 1 1 78 ARG HE 9.450 S 7.32 0.52 4.2007e-05 16049 1 1 1 1 78 ARG N 117.194 . 120.61 3.9 3.8109e-01 16049 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 78 ARG ARG 0.38 16049 1 1 1 1 78 ARG CYS 0.33 16049 1 1 1 1 78 ARG LYS 0.24 16049 1 1 1 1 78 ARG GLY 0.02 16049 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16049 _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 16049 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16049 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16049 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16049 _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_