data_AVS_bmrb_pdb_report_10147 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10147 _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 1 115 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10147 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 1 115 ARG C 177.460 . 176.49 2.16 6.5338e-01 10147 1 1 1 1 115 ARG CA 60.199 . 56.95 2.41 1.7762e-01 10147 1 1 1 1 115 ARG CB 28.049 . 30.66 1.77 1.4017e-01 10147 1 1 1 1 115 ARG CG 26.058 . 27.31 1.65 4.4798e-01 10147 1 1 1 1 115 ARG CD 43.117 . 43.1 1.1 9.8767e-01 10147 1 1 1 1 115 ARG H 8.159 . 8.24 0.6 8.9261e-01 10147 1 1 1 1 115 ARG HA 3.215 . 4.27 0.44 1.6497e-02 10147 1 1 1 1 115 ARG HB2 1.188 . 1.79 0.28 3.1555e-02 10147 1 1 1 1 115 ARG HB3 0.125 S 1.78 0.28 3.4063e-09 10147 1 1 1 1 115 ARG HG2 0.624 S 1.58 0.27 3.9901e-04 10147 1 1 1 1 115 ARG HG3 -0.003 S 1.58 0.27 4.5468e-09 10147 1 1 1 1 115 ARG HD2 1.360 A 3.13 0.23 1.4077e-14 10147 1 1 1 1 115 ARG HD3 2.368 S 3.13 0.22 5.3293e-04 10147 1 1 1 1 115 ARG HE 6.663 . 7.32 0.52 2.0642e-01 10147 1 1 1 1 115 ARG N 119.039 . 120.61 3.9 6.8708e-01 10147 1 1 1 1 115 ARG NE 86.197 . 89.8 12.83 7.7884e-01 10147 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 1 115 ARG CYS 0.34 10147 1 1 1 1 115 ARG ARG 0.23 10147 1 1 1 1 115 ARG LYS 0.19 10147 1 1 1 1 115 ARG LEU 0.13 10147 1 1 1 1 115 ARG GLY 0.08 10147 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10147 _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 10147 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10147 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10147 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10147 _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_