data_AVS_bmrb_pdb_report_30570 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30570 _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 12 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30570 1 1 1 1 29 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 30570 1 1 1 1 115 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 30570 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 12 ARG C 175.309 . 176.41 2.03 5.8757e-01 30570 1 1 1 1 12 ARG CA 54.422 . 56.77 2.31 3.0942e-01 30570 1 1 1 1 12 ARG CB 31.360 . 30.7 1.83 7.1836e-01 30570 1 1 1 1 12 ARG CG 26.301 . 27.21 1.2 4.4875e-01 30570 1 1 1 1 12 ARG CD 42.706 . 43.16 0.88 6.0592e-01 30570 1 1 1 1 12 ARG H 8.340 . 8.24 0.61 8.6978e-01 30570 1 1 1 1 12 ARG HA 5.015 . 4.3 0.46 1.2010e-01 30570 1 1 1 1 12 ARG HB2 1.450 . 1.79 0.27 2.0794e-01 30570 1 1 1 1 12 ARG HB3 1.653 . 1.76 0.28 7.0236e-01 30570 1 1 1 1 12 ARG HG2 1.254 . 1.57 0.27 2.4185e-01 30570 1 1 1 1 12 ARG HG3 1.343 . 1.54 0.29 4.9694e-01 30570 1 1 1 1 12 ARG HD2 2.938 . 3.12 0.24 4.4825e-01 30570 1 1 1 1 12 ARG HD3 2.995 . 3.1 0.26 6.8633e-01 30570 1 1 1 1 12 ARG HE 7.177 . 7.4 0.63 7.2336e-01 30570 1 1 1 1 12 ARG N 123.515 . 120.8 3.68 4.6065e-01 30570 1 1 1 1 12 ARG NE 110.862 A 84.63 1.68 5.8193e-55 30570 1 1 1 1 29 ARG C 178.119 . 176.41 2.03 3.9986e-01 30570 1 1 1 1 29 ARG CA 58.805 . 56.77 2.31 3.7834e-01 30570 1 1 1 1 29 ARG CB 29.466 . 30.7 1.83 5.0011e-01 30570 1 1 1 1 29 ARG CG 28.604 . 27.21 1.2 2.4537e-01 30570 1 1 1 1 29 ARG CD 42.647 . 43.16 0.88 5.5992e-01 30570 1 1 1 1 29 ARG H 9.004 . 8.24 0.61 2.1040e-01 30570 1 1 1 1 29 ARG HA 4.173 . 4.3 0.46 7.8248e-01 30570 1 1 1 1 29 ARG HB2 1.750 . 1.79 0.27 8.8223e-01 30570 1 1 1 1 29 ARG HB3 1.750 . 1.76 0.28 9.7151e-01 30570 1 1 1 1 29 ARG HG2 1.349 . 1.57 0.27 4.1306e-01 30570 1 1 1 1 29 ARG HG3 1.349 . 1.54 0.29 5.1014e-01 30570 1 1 1 1 29 ARG HD2 2.565 . 3.12 0.24 2.0750e-02 30570 1 1 1 1 29 ARG HD3 2.565 . 3.1 0.26 3.9620e-02 30570 1 1 1 1 29 ARG HE 6.426 . 7.4 0.63 1.2210e-01 30570 1 1 1 1 29 ARG N 119.188 . 120.8 3.68 6.6135e-01 30570 1 1 1 1 29 ARG NE 108.518 A 84.63 1.68 6.9796e-46 30570 1 1 1 1 115 ARG C 178.269 . 176.41 2.03 3.5979e-01 30570 1 1 1 1 115 ARG CA 59.461 . 56.77 2.31 2.4405e-01 30570 1 1 1 1 115 ARG CB 29.918 . 30.7 1.83 6.6914e-01 30570 1 1 1 1 115 ARG CG 26.742 . 27.21 1.2 6.9654e-01 30570 1 1 1 1 115 ARG CD 43.176 . 43.16 0.88 9.8549e-01 30570 1 1 1 1 115 ARG H 8.082 . 8.24 0.61 7.9562e-01 30570 1 1 1 1 115 ARG HA 3.548 . 4.3 0.46 1.0209e-01 30570 1 1 1 1 115 ARG HB2 1.110 . 1.79 0.27 1.1785e-02 30570 1 1 1 1 115 ARG HB3 1.530 . 1.76 0.28 4.1140e-01 30570 1 1 1 1 115 ARG HG2 0.204 S 1.57 0.27 4.2089e-07 30570 1 1 1 1 115 ARG HG3 1.201 . 1.54 0.29 2.4242e-01 30570 1 1 1 1 115 ARG HD2 2.285 S 3.12 0.24 5.0298e-04 30570 1 1 1 1 115 ARG HD3 2.414 . 3.1 0.26 8.3283e-03 30570 1 1 1 1 115 ARG HE 6.631 . 7.4 0.63 2.2222e-01 30570 1 1 1 1 115 ARG N 118.243 . 120.8 3.68 4.8716e-01 30570 1 1 1 1 115 ARG NE 110.641 A 84.63 1.68 4.5374e-54 30570 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 12 ARG ARG 0.45 30570 1 1 1 1 12 ARG CYS 0.3 30570 1 1 1 1 12 ARG LYS 0.2 30570 1 1 1 1 12 ARG GLY 0.02 30570 1 1 1 1 29 ARG CYS 0.49 30570 1 1 1 1 29 ARG ARG 0.32 30570 1 1 1 1 29 ARG LYS 0.15 30570 1 1 1 1 29 ARG GLY 0.02 30570 1 1 1 1 115 ARG CYS 0.45 30570 1 1 1 1 115 ARG ARG 0.41 30570 1 1 1 1 115 ARG LYS 0.06 30570 1 1 1 1 115 ARG GLY 0.05 30570 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30570 _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 30570 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30570 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30570 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30570 _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_