data_AVS_bmrb_pdb_report_5099 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5099 _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 5099 1 1 1 1 20 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB3" 0.9951 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 5099 1 1 1 1 20 ARG C 176.4 . 176.49 2.16 9.6676e-01 5099 1 1 1 1 20 ARG CA 54.53 . 56.95 2.41 3.1531e-01 5099 1 1 1 1 20 ARG CB 33.85 . 30.66 1.77 7.1505e-02 5099 1 1 1 1 20 ARG CG 26.43 . 27.31 1.65 5.9380e-01 5099 1 1 1 1 20 ARG CD 43.93 . 43.1 1.1 4.5052e-01 5099 1 1 1 1 20 ARG H 8.87 . 8.24 0.6 2.9372e-01 5099 1 1 1 1 20 ARG HA 5.42 . 4.27 0.44 8.9584e-03 5099 1 1 1 1 20 ARG HB2 0.99 . 1.79 0.28 4.2747e-03 5099 1 1 1 1 20 ARG HB3 1.55 . 1.78 0.28 4.1140e-01 5099 1 1 1 1 20 ARG HG2 1.02 . 1.58 0.27 3.8072e-02 5099 1 1 1 1 20 ARG HD2 1.40 M 3.13 0.23 5.4052e-14 5099 1 1 1 1 20 ARG HD3 1.66 S 3.13 0.22 2.3600e-11 5099 1 1 1 1 20 ARG N 121.59 . 120.61 3.9 8.0160e-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 5099 1 1 1 1 20 ARG CYS 0.49 5099 1 1 1 1 20 ARG GLY 0.23 5099 1 1 1 1 20 ARG ARG 0.19 5099 1 1 1 1 20 ARG LYS 0.07 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5099 _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 5099 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 5099 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5099 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5099 _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_