data_AVS_bmrb_pdb_report_5340 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5340 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5340 1 1 1 1 14 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 5340 1 1 1 1 83 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5340 1 1 1 1 125 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5340 1 1 1 1 14 ARG C 178.34 . 176.49 2.16 3.9173e-01 5340 1 1 1 1 14 ARG CA 59.21 . 56.95 2.41 3.4837e-01 5340 1 1 1 1 14 ARG CB 42.14 M 30.66 1.77 8.8218e-11 5340 1 1 1 1 14 ARG H 8.17 . 8.24 0.6 9.0712e-01 5340 1 1 1 1 14 ARG N 120.81 . 120.61 3.9 9.5910e-01 5340 1 1 1 1 83 ASP C 178.15 . 176.41 1.77 3.2558e-01 5340 1 1 1 1 83 ASP CA 60.97 M 54.52 2.1 2.1304e-03 5340 1 1 1 1 83 ASP CB 41.19 . 40.7 1.67 7.6921e-01 5340 1 1 1 1 83 ASP H 7.91 . 8.33 0.57 4.6122e-01 5340 1 1 1 1 83 ASP N 120.60 . 120.73 4.2 9.7531e-01 5340 1 1 1 1 125 ARG C 178.61 . 176.49 2.16 3.2636e-01 5340 1 1 1 1 125 ARG CA 60.26 . 56.95 2.41 1.6961e-01 5340 1 1 1 1 125 ARG CB 41.58 M 30.66 1.77 6.8510e-10 5340 1 1 1 1 125 ARG H 8.16 . 8.24 0.6 8.9393e-01 5340 1 1 1 1 125 ARG N 119.10 . 120.61 3.9 6.9862e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5340 1 1 1 1 14 ARG LYS 0.22 5340 1 1 1 1 14 ARG PHE 0.22 5340 1 1 1 1 14 ARG CYS 0.18 5340 1 1 1 1 14 ARG TYR 0.15 5340 1 1 1 1 14 ARG LEU 0.11 5340 1 1 1 1 14 ARG ILE 0.06 5340 1 1 1 1 14 ARG ASP 0.02 5340 1 1 1 1 14 ARG GLY 0.01 5340 1 1 1 1 83 ASP PHE 0.26 5340 1 1 1 1 83 ASP ILE 0.23 5340 1 1 1 1 83 ASP TYR 0.18 5340 1 1 1 1 83 ASP CYS 0.17 5340 1 1 1 1 83 ASP LYS 0.08 5340 1 1 1 1 83 ASP ARG 0.02 5340 1 1 1 1 83 ASP LEU 0.02 5340 1 1 1 1 125 ARG PHE 0.26 5340 1 1 1 1 125 ARG CYS 0.18 5340 1 1 1 1 125 ARG TYR 0.18 5340 1 1 1 1 125 ARG ILE 0.15 5340 1 1 1 1 125 ARG LYS 0.14 5340 1 1 1 1 125 ARG LEU 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5340 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 5340 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 5340 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5340 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5340 _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_