data_AVS_bmrb_pdb_report_28046 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 28046 _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 1 108 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HB2" 0.9950 28046 1 1 1 1 108 ARG . . . . . . "HD3 > HB2" 0.9950 28046 1 1 1 1 108 ARG . . . . . . "HD2 > HB3" 0.9951 28046 1 1 1 1 108 ARG . . . . . . "HD3 > HB3" 0.9958 28046 1 1 1 2 1 GNP UNSUPPORTED . . . . . . . 28046 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 1 108 ARG CA 59.801 . 56.77 2.31 1.8948e-01 28046 1 1 1 1 108 ARG CB 28.994 . 30.7 1.83 3.5121e-01 28046 1 1 1 1 108 ARG CG 26.052 . 27.21 1.2 3.3454e-01 28046 1 1 1 1 108 ARG CD 41.201 . 43.16 0.88 2.6005e-02 28046 1 1 1 1 108 ARG H 8.225 . 8.24 0.61 9.8038e-01 28046 1 1 1 1 108 ARG HA 3.378 . 4.3 0.46 4.5033e-02 28046 1 1 1 1 108 ARG HB2 0.853 S 1.79 0.27 5.1974e-04 28046 1 1 1 1 108 ARG HB3 1.251 . 1.76 0.28 6.9086e-02 28046 1 1 1 1 108 ARG HG2 0.247 S 1.57 0.27 9.5837e-07 28046 1 1 1 1 108 ARG HG3 0.247 S 1.54 0.29 8.2489e-06 28046 1 1 1 1 108 ARG HD2 0.533 A 3.12 0.24 4.3178e-27 28046 1 1 1 1 108 ARG HD3 0.831 S 3.1 0.26 2.6169e-18 28046 1 1 1 1 108 ARG HE 6.347 . 7.4 0.63 9.4637e-02 28046 1 1 1 1 108 ARG N 117.102 . 120.8 3.68 3.1495e-01 28046 1 1 1 1 108 ARG NE 84.378 . 84.63 1.68 8.8076e-01 28046 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 1 108 ARG CYS 0.54 28046 1 1 1 1 108 ARG LYS 0.35 28046 1 1 1 1 108 ARG ARG 0.05 28046 1 1 1 1 108 ARG LEU 0.04 28046 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 28046 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 28046 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 28046 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 28046 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 28046 _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_