data_AVS_bmrb_pdb_report_15598 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15598 _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 1 137 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15598 1 1 1 1 144 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 15598 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 1 137 ARG CA 58.975 . 56.77 2.31 3.3981e-01 15598 1 1 1 1 137 ARG CB 29.870 . 30.7 1.83 6.5015e-01 15598 1 1 1 1 137 ARG CG 28.410 . 27.21 1.2 3.1731e-01 15598 1 1 1 1 137 ARG CD 43.400 . 43.16 0.88 7.8506e-01 15598 1 1 1 1 137 ARG H 8.530 . 8.24 0.61 6.3449e-01 15598 1 1 1 1 137 ARG HA 3.915 . 4.3 0.46 4.0262e-01 15598 1 1 1 1 137 ARG HB2 1.823 . 1.79 0.27 9.0272e-01 15598 1 1 1 1 137 ARG HG2 1.718 . 1.57 0.27 5.8359e-01 15598 1 1 1 1 137 ARG HG3 1.440 . 1.54 0.29 7.3022e-01 15598 1 1 1 1 137 ARG HD2 3.371 . 3.12 0.24 2.9564e-01 15598 1 1 1 1 137 ARG HE 7.238 . 7.4 0.63 7.9707e-01 15598 1 1 1 1 137 ARG N 113.110 . 120.8 3.68 3.6647e-02 15598 1 1 1 1 137 ARG NE 117.480 A 84.63 1.68 3.8463e-85 15598 1 1 1 1 144 ARG CA 54.034 . 56.77 2.31 2.3625e-01 15598 1 1 1 1 144 ARG CB 33.030 . 30.7 1.83 2.0294e-01 15598 1 1 1 1 144 ARG CG 25.270 . 27.21 1.2 1.0595e-01 15598 1 1 1 1 144 ARG CD 44.540 . 43.16 0.88 1.1684e-01 15598 1 1 1 1 144 ARG H 8.887 . 8.24 0.61 2.8885e-01 15598 1 1 1 1 144 ARG HA 4.729 . 4.3 0.46 3.5102e-01 15598 1 1 1 1 144 ARG HB2 1.311 . 1.79 0.27 7.6051e-02 15598 1 1 1 1 144 ARG HG2 0.318 S 1.57 0.27 3.5344e-06 15598 1 1 1 1 144 ARG HG3 0.998 . 1.54 0.29 6.1628e-02 15598 1 1 1 1 144 ARG HD2 3.033 . 3.12 0.24 7.1698e-01 15598 1 1 1 1 144 ARG HE 6.898 . 7.4 0.63 4.2555e-01 15598 1 1 1 1 144 ARG N 125.830 . 120.8 3.68 1.7167e-01 15598 1 1 1 1 144 ARG NE 118.000 A 84.63 1.68 8.4913e-88 15598 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 1 137 ARG CYS 0.47 15598 1 1 1 1 137 ARG ARG 0.37 15598 1 1 1 1 137 ARG GLY 0.07 15598 1 1 1 1 137 ARG LYS 0.06 15598 1 1 1 1 144 ARG GLY 0.5 15598 1 1 1 1 144 ARG CYS 0.4 15598 1 1 1 1 144 ARG ARG 0.08 15598 1 1 1 1 144 ARG LYS 0.01 15598 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15598 _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 15598 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15598 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15598 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15598 _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_