data_AVS_bmrb_pdb_report_15166 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15166 _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 15166 1 1 1 1 79 ARG Anomalous Consistent Suspicious Anomalous Suspicious Consistent "HD3 > HB2" 0.9950 15166 1 1 1 1 79 ARG . . . . . . "HD3 > HB3" 0.9958 15166 1 1 1 1 79 ARG . . . . . . "HD3 > HG2" 0.9974 15166 1 1 1 1 79 ARG . . . . . . "HD3 > HG3" 0.9982 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 15166 1 1 1 1 79 ARG C 176.5880 . 176.49 2.16 9.6381e-01 15166 1 1 1 1 79 ARG CA 56.1720 . 56.95 2.41 7.4683e-01 15166 1 1 1 1 79 ARG CB 36.9120 S 30.66 1.77 4.1211e-04 15166 1 1 1 1 79 ARG CG 30.0470 . 27.31 1.65 9.7159e-02 15166 1 1 1 1 79 ARG CD 43.5660 . 43.1 1.1 6.7183e-01 15166 1 1 1 1 79 ARG H 8.7030 . 8.24 0.6 4.4031e-01 15166 1 1 1 1 79 ARG HA 4.2410 . 4.27 0.44 9.4745e-01 15166 1 1 1 1 79 ARG HB2 1.4670 . 1.79 0.28 2.4868e-01 15166 1 1 1 1 79 ARG HB3 0.8543 S 1.78 0.28 9.4614e-04 15166 1 1 1 1 79 ARG HG2 0.8500 . 1.58 0.27 6.8571e-03 15166 1 1 1 1 79 ARG HG3 0.4530 S 1.58 0.27 2.9920e-05 15166 1 1 1 1 79 ARG HD2 1.7400 S 3.13 0.23 1.5083e-09 15166 1 1 1 1 79 ARG HD3 -0.2130 M 3.13 0.22 3.7903e-52 15166 1 1 1 1 79 ARG NE 115.3200 . 89.8 12.83 4.6692e-02 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 15166 1 1 1 1 79 ARG CYS 0.75 15166 1 1 1 1 79 ARG GLY 0.18 15166 1 1 1 1 79 ARG LYS 0.05 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15166 _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 15166 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 15166 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15166 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15166 _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_