data_AVS_bmrb_pdb_report_7381 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7381 _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 10 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 7381 1 1 1 1 13 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 7381 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 10 ARG C 178.752 . 176.41 2.03 2.4863e-01 7381 1 1 1 1 10 ARG CA 60.424 . 56.77 2.31 1.1369e-01 7381 1 1 1 1 10 ARG CB 29.482 . 30.7 1.83 5.0568e-01 7381 1 1 1 1 10 ARG CD 43.414 . 43.16 0.88 7.7286e-01 7381 1 1 1 1 10 ARG H 7.522 . 8.24 0.61 2.3918e-01 7381 1 1 1 1 10 ARG HA 3.929 . 4.3 0.46 4.1994e-01 7381 1 1 1 1 10 ARG HB2 1.010 . 1.79 0.27 3.8661e-03 7381 1 1 1 1 10 ARG HB3 1.342 . 1.76 0.28 1.3547e-01 7381 1 1 1 1 10 ARG HG2 1.523 . 1.57 0.27 8.6181e-01 7381 1 1 1 1 10 ARG HD2 3.249 . 3.12 0.24 5.9092e-01 7381 1 1 1 1 10 ARG HE 9.857 S 7.4 0.63 9.6193e-05 7381 1 1 1 1 10 ARG N 122.364 . 120.8 3.68 6.7084e-01 7381 1 1 1 1 10 ARG NE 115.964 A 84.63 1.68 1.2350e-77 7381 1 1 1 1 13 ARG C 178.247 . 176.41 2.03 3.6550e-01 7381 1 1 1 1 13 ARG CA 60.426 . 56.77 2.31 1.1349e-01 7381 1 1 1 1 13 ARG CB 30.380 . 30.7 1.83 8.6119e-01 7381 1 1 1 1 13 ARG CG 28.064 . 27.21 1.2 4.7667e-01 7381 1 1 1 1 13 ARG CD 43.636 . 43.16 0.88 5.8857e-01 7381 1 1 1 1 13 ARG H 7.662 . 8.24 0.61 3.4336e-01 7381 1 1 1 1 13 ARG HA 3.872 . 4.3 0.46 3.5215e-01 7381 1 1 1 1 13 ARG HB2 1.922 . 1.79 0.27 6.2492e-01 7381 1 1 1 1 13 ARG HB3 1.780 . 1.76 0.28 9.4306e-01 7381 1 1 1 1 13 ARG HG2 1.489 . 1.57 0.27 7.6418e-01 7381 1 1 1 1 13 ARG HG3 1.200 . 1.54 0.29 2.4103e-01 7381 1 1 1 1 13 ARG HD2 3.264 . 3.12 0.24 5.4851e-01 7381 1 1 1 1 13 ARG HE 9.837 S 7.4 0.63 1.0962e-04 7381 1 1 1 1 13 ARG N 124.257 . 120.8 3.68 3.4752e-01 7381 1 1 1 1 13 ARG NE 116.051 A 84.63 1.68 4.6817e-78 7381 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 10 ARG CYS 0.49 7381 1 1 1 1 10 ARG ARG 0.26 7381 1 1 1 1 10 ARG GLY 0.1 7381 1 1 1 1 10 ARG LYS 0.07 7381 1 1 1 1 10 ARG ILE 0.05 7381 1 1 1 1 13 ARG CYS 0.5 7381 1 1 1 1 13 ARG ARG 0.33 7381 1 1 1 1 13 ARG GLY 0.13 7381 1 1 1 1 13 ARG LYS 0.03 7381 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7381 _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 7381 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 7381 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 7381 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7381 _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_