data_AVS_bmrb_pdb_report_4818 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4818 _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 4818 1 1 1 1 6 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 4818 1 1 1 1 133 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 4818 1 1 1 1 6 ARG CA 54.21 . 56.95 2.41 2.5557e-01 4818 1 1 1 1 6 ARG CB 41.09 M 30.66 1.77 3.8004e-09 4818 1 1 1 1 6 ARG H 8.31 . 8.24 0.6 9.0712e-01 4818 1 1 1 1 6 ARG HA 4.60 . 4.27 0.44 4.5325e-01 4818 1 1 1 1 6 ARG HD3 2.71 . 3.13 0.22 5.6250e-02 4818 1 1 1 1 6 ARG N 120.71 . 120.61 3.9 9.7954e-01 4818 1 1 1 1 133 GLU CA 58.41 . 57.42 2.19 6.5123e-01 4818 1 1 1 1 133 GLU CB 28.83 . 30.07 1.84 5.0037e-01 4818 1 1 1 1 133 GLU CG 35.27 . 36.01 1.51 6.2409e-01 4818 1 1 1 1 133 GLU H 9.18 . 8.34 0.61 1.6850e-01 4818 1 1 1 1 133 GLU HA 4.25 . 4.26 0.43 9.8145e-01 4818 1 1 1 1 133 GLU N 107.06 M 120.68 3.68 2.1468e-04 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 4818 1 1 1 1 6 ARG ASP 0.29 4818 1 1 1 1 6 ARG LEU 0.19 4818 1 1 1 1 6 ARG LYS 0.11 4818 1 1 1 1 6 ARG CYS 0.11 4818 1 1 1 1 6 ARG ASN 0.11 4818 1 1 1 1 6 ARG PHE 0.08 4818 1 1 1 1 6 ARG TYR 0.07 4818 1 1 1 1 133 GLU CYS 0.3 4818 1 1 1 1 133 GLU GLU 0.26 4818 1 1 1 1 133 GLU LYS 0.17 4818 1 1 1 1 133 GLU GLN 0.14 4818 1 1 1 1 133 GLU ILE 0.08 4818 1 1 1 1 133 GLU MET 0.02 4818 1 1 1 1 133 GLU ARG 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4818 _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 4818 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 4818 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4818 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4818 _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_