data_AVS_bmrb_pdb_report_25349 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25349 _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 15 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 25349 1 1 1 1 21 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25349 1 1 1 1 38 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25349 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 15 ARG C 173.405 . 176.41 2.03 1.3879e-01 25349 1 1 1 1 15 ARG CA 53.582 . 56.77 2.31 1.6756e-01 25349 1 1 1 1 15 ARG CB 33.831 . 30.7 1.83 8.7094e-02 25349 1 1 1 1 15 ARG CG 27.541 . 27.21 1.2 7.8268e-01 25349 1 1 1 1 15 ARG CD 43.354 . 43.16 0.88 8.2552e-01 25349 1 1 1 1 15 ARG H 8.246 . 8.24 0.61 9.9215e-01 25349 1 1 1 1 15 ARG HA 4.314 . 4.3 0.46 9.7572e-01 25349 1 1 1 1 15 ARG HB2 1.296 . 1.79 0.27 6.7306e-02 25349 1 1 1 1 15 ARG HB3 0.211 S 1.76 0.28 3.1634e-08 25349 1 1 1 1 15 ARG HG2 1.187 . 1.57 0.27 1.5604e-01 25349 1 1 1 1 15 ARG HG3 1.297 . 1.54 0.29 4.0207e-01 25349 1 1 1 1 15 ARG HD2 3.141 . 3.12 0.24 9.3027e-01 25349 1 1 1 1 15 ARG HD3 2.93 . 3.1 0.26 5.1321e-01 25349 1 1 1 1 15 ARG HE 7.125 . 7.4 0.63 6.6247e-01 25349 1 1 1 1 15 ARG N 127.139 . 120.8 3.68 8.4969e-02 25349 1 1 1 1 15 ARG NE 116.081 A 84.63 1.68 3.3487e-78 25349 1 1 1 1 21 ARG CA 54.55 . 56.77 2.31 3.3653e-01 25349 1 1 1 1 21 ARG CB 31.351 . 30.7 1.83 7.2204e-01 25349 1 1 1 1 21 ARG CG 26.623 . 27.21 1.2 6.2472e-01 25349 1 1 1 1 21 ARG CD 43.859 . 43.16 0.88 4.2701e-01 25349 1 1 1 1 21 ARG H 7.813 . 8.24 0.61 4.8393e-01 25349 1 1 1 1 21 ARG HA 4.724 . 4.3 0.46 3.5666e-01 25349 1 1 1 1 21 ARG HB2 2.029 . 1.79 0.27 3.7606e-01 25349 1 1 1 1 21 ARG HB3 2.029 . 1.76 0.28 3.3670e-01 25349 1 1 1 1 21 ARG HG2 1.773 . 1.57 0.27 4.5214e-01 25349 1 1 1 1 21 ARG HG3 1.907 . 1.54 0.29 2.0569e-01 25349 1 1 1 1 21 ARG HD2 2.958 . 3.12 0.24 4.9968e-01 25349 1 1 1 1 21 ARG HD3 2.716 . 3.1 0.26 1.3970e-01 25349 1 1 1 1 21 ARG HE 7.137 . 7.4 0.63 6.7634e-01 25349 1 1 1 1 21 ARG N 123.427 . 120.8 3.68 4.7531e-01 25349 1 1 1 1 21 ARG NE 115.678 A 84.63 1.68 2.9395e-76 25349 1 1 1 1 38 ARG C 176.963 . 176.41 2.03 7.8530e-01 25349 1 1 1 1 38 ARG CA 57.102 . 56.77 2.31 8.8572e-01 25349 1 1 1 1 38 ARG CB 29.945 . 30.7 1.83 6.7992e-01 25349 1 1 1 1 38 ARG CG 26.85 . 27.21 1.2 7.6418e-01 25349 1 1 1 1 38 ARG CD 43.351 . 43.16 0.88 8.2817e-01 25349 1 1 1 1 38 ARG H 8.376 . 8.24 0.61 8.2357e-01 25349 1 1 1 1 38 ARG HA 3.889 . 4.3 0.46 3.7160e-01 25349 1 1 1 1 38 ARG HB2 1.821 . 1.79 0.27 9.0859e-01 25349 1 1 1 1 38 ARG HB3 1.623 . 1.76 0.28 6.2464e-01 25349 1 1 1 1 38 ARG HG2 1.254 . 1.57 0.27 2.4185e-01 25349 1 1 1 1 38 ARG HG3 1.253 . 1.54 0.29 3.2234e-01 25349 1 1 1 1 38 ARG HD2 2.99 . 3.12 0.24 5.8805e-01 25349 1 1 1 1 38 ARG HD3 2.99 . 3.1 0.26 6.7224e-01 25349 1 1 1 1 38 ARG HE 8.677 . 7.4 0.63 4.2664e-02 25349 1 1 1 1 38 ARG N 118.747 . 120.8 3.68 5.7693e-01 25349 1 1 1 1 38 ARG NE 116.026 A 84.63 1.68 6.1883e-78 25349 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 15 ARG ARG 0.54 25349 1 1 1 1 15 ARG GLY 0.25 25349 1 1 1 1 15 ARG LYS 0.2 25349 1 1 1 1 21 ARG ARG 0.7 25349 1 1 1 1 21 ARG GLY 0.25 25349 1 1 1 1 21 ARG LYS 0.03 25349 1 1 1 1 38 ARG ARG 0.76 25349 1 1 1 1 38 ARG GLY 0.1 25349 1 1 1 1 38 ARG LYS 0.1 25349 1 1 1 1 38 ARG LEU 0.02 25349 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25349 _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 25349 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25349 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25349 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25349 _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_