data_AVS_bmrb_pdb_report_36171 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 36171 _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 2 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 36171 1 1 1 1 11 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 36171 1 1 1 1 39 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 36171 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 2 ARG C 175.645 . 176.41 2.03 7.0629e-01 36171 1 1 1 1 2 ARG CA 56.067 . 56.77 2.31 7.6088e-01 36171 1 1 1 1 2 ARG CB 31.093 . 30.7 1.83 8.2996e-01 36171 1 1 1 1 2 ARG CG 26.813 . 27.21 1.2 7.4077e-01 36171 1 1 1 1 2 ARG CD 43.434 . 43.16 0.88 7.5552e-01 36171 1 1 1 1 2 ARG H 8.677 . 8.24 0.61 4.7375e-01 36171 1 1 1 1 2 ARG HA 4.429 . 4.3 0.46 7.7914e-01 36171 1 1 1 1 2 ARG HB2 1.864 . 1.79 0.27 7.8403e-01 36171 1 1 1 1 2 ARG HG2 1.848 . 1.57 0.27 3.0318e-01 36171 1 1 1 1 2 ARG HD2 3.213 . 3.12 0.24 6.9839e-01 36171 1 1 1 1 2 ARG HE 7.205 . 7.4 0.63 7.5692e-01 36171 1 1 1 1 2 ARG N 121.532 . 120.8 3.68 8.4233e-01 36171 1 1 1 1 2 ARG NE 120.782 A 84.63 1.68 0.0000e+00 36171 1 1 1 1 11 ARG C 176.810 . 176.41 2.03 8.4379e-01 36171 1 1 1 1 11 ARG CA 56.112 . 56.77 2.31 7.7576e-01 36171 1 1 1 1 11 ARG CB 31.870 . 30.7 1.83 5.2260e-01 36171 1 1 1 1 11 ARG CG 27.431 . 27.21 1.2 8.5388e-01 36171 1 1 1 1 11 ARG CD 43.805 . 43.16 0.88 4.6359e-01 36171 1 1 1 1 11 ARG H 8.190 . 8.24 0.61 9.3467e-01 36171 1 1 1 1 11 ARG HA 4.434 . 4.3 0.46 7.7082e-01 36171 1 1 1 1 11 ARG HB2 1.820 . 1.79 0.27 9.1153e-01 36171 1 1 1 1 11 ARG HG2 1.769 . 1.57 0.27 4.6110e-01 36171 1 1 1 1 11 ARG HD2 3.228 . 3.12 0.24 6.5271e-01 36171 1 1 1 1 11 ARG HE 7.251 . 7.4 0.63 8.1304e-01 36171 1 1 1 1 11 ARG N 122.027 . 120.8 3.68 7.3881e-01 36171 1 1 1 1 11 ARG NE 120.841 A 84.63 1.68 0.0000e+00 36171 1 1 1 1 39 ARG C 176.228 . 176.41 2.03 9.2856e-01 36171 1 1 1 1 39 ARG CA 55.292 . 56.77 2.31 5.2229e-01 36171 1 1 1 1 39 ARG CB 29.868 . 30.7 1.83 6.4936e-01 36171 1 1 1 1 39 ARG CG 26.959 . 27.21 1.2 8.3432e-01 36171 1 1 1 1 39 ARG CD 42.949 . 43.16 0.88 8.1051e-01 36171 1 1 1 1 39 ARG H 8.605 . 8.24 0.61 5.4960e-01 36171 1 1 1 1 39 ARG HA 4.218 . 4.3 0.46 8.5852e-01 36171 1 1 1 1 39 ARG HB2 1.599 . 1.79 0.27 4.7931e-01 36171 1 1 1 1 39 ARG HB3 1.859 . 1.76 0.28 7.2366e-01 36171 1 1 1 1 39 ARG HG2 1.550 . 1.57 0.27 9.4095e-01 36171 1 1 1 1 39 ARG HD2 3.112 . 3.12 0.24 9.7341e-01 36171 1 1 1 1 39 ARG HE 7.091 . 7.4 0.63 6.2380e-01 36171 1 1 1 1 39 ARG N 120.374 . 120.8 3.68 9.0784e-01 36171 1 1 1 1 39 ARG NE 120.680 A 84.63 1.68 0.0000e+00 36171 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 2 ARG ARG 0.48 36171 1 1 1 1 2 ARG CYS 0.38 36171 1 1 1 1 2 ARG GLY 0.07 36171 1 1 1 1 2 ARG LYS 0.05 36171 1 1 1 1 11 ARG ARG 0.43 36171 1 1 1 1 11 ARG CYS 0.39 36171 1 1 1 1 11 ARG GLY 0.12 36171 1 1 1 1 11 ARG LYS 0.04 36171 1 1 1 1 39 ARG ARG 0.51 36171 1 1 1 1 39 ARG CYS 0.32 36171 1 1 1 1 39 ARG LYS 0.09 36171 1 1 1 1 39 ARG GLY 0.03 36171 1 1 1 1 39 ARG LEU 0.02 36171 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 36171 _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 36171 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 36171 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 36171 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 36171 _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_