data_AVS_bmrb_pdb_report_4636 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4636 _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 4636 1 1 1 1 169 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE > HA" 0.9911 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 4636 1 1 1 1 169 ARG CA 56.88 . 56.95 2.41 9.7683e-01 4636 1 1 1 1 169 ARG CB 31.12 . 30.66 1.77 7.9495e-01 4636 1 1 1 1 169 ARG H 7.93 . 8.24 0.6 6.0539e-01 4636 1 1 1 1 169 ARG HA 4.19 . 4.27 0.44 8.5573e-01 4636 1 1 1 1 169 ARG HB2 1.69 . 1.79 0.28 7.2098e-01 4636 1 1 1 1 169 ARG HB3 1.85 . 1.78 0.28 8.0259e-01 4636 1 1 1 1 169 ARG HG2 1.73 . 1.58 0.27 5.7851e-01 4636 1 1 1 1 169 ARG HG3 1.52 . 1.58 0.27 8.2414e-01 4636 1 1 1 1 169 ARG HE 3.20 M 7.32 0.52 2.3170e-15 4636 1 1 1 1 169 ARG N 126.00 . 120.61 3.9 1.6696e-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 4636 1 1 1 1 169 ARG ARG 0.14 4636 1 1 1 1 169 ARG CYS 0.13 4636 1 1 1 1 169 ARG TRP 0.13 4636 1 1 1 1 169 ARG HIS 0.12 4636 1 1 1 1 169 ARG GLU 0.12 4636 1 1 1 1 169 ARG MET 0.11 4636 1 1 1 1 169 ARG LYS 0.09 4636 1 1 1 1 169 ARG GLN 0.08 4636 1 1 1 1 169 ARG VAL 0.01 4636 1 1 1 1 169 ARG ILE 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4636 _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 4636 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 4636 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4636 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4636 _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_