data_AVS_bmrb_pdb_report_15801 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15801 _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 37 GLU Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 15801 1 1 1 1 88 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD2 > HG2" 0.9976 15801 1 1 1 1 88 ARG . . . . . . "HD3 > HG2" 0.9974 15801 1 1 1 1 88 ARG . . . . . . "HD2 > HG3" 0.9983 15801 1 1 1 1 88 ARG . . . . . . "HD3 > HG3" 0.9982 15801 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 37 GLU CA 57.665 . 57.42 2.19 9.1093e-01 15801 1 1 1 1 37 GLU CB 26.904 . 30.07 1.84 8.5314e-02 15801 1 1 1 1 37 GLU CG 35.954 . 36.01 1.51 9.7042e-01 15801 1 1 1 1 37 GLU H 9.079 . 8.34 0.61 2.2571e-01 15801 1 1 1 1 37 GLU HA 3.623 . 4.26 0.43 1.3850e-01 15801 1 1 1 1 37 GLU HB2 2.216 . 2.04 0.22 4.2371e-01 15801 1 1 1 1 37 GLU HB3 2.104 . 2.04 0.23 7.8081e-01 15801 1 1 1 1 37 GLU HG2 1.454 S 2.31 0.21 4.5780e-05 15801 1 1 1 1 37 GLU HG3 1.454 S 2.31 0.21 4.5780e-05 15801 1 1 1 1 37 GLU N 109.754 A 120.68 3.68 2.9875e-03 15801 1 1 1 1 88 ARG CA 59.151 . 56.95 2.41 3.6110e-01 15801 1 1 1 1 88 ARG CB 29.624 . 30.66 1.77 5.5834e-01 15801 1 1 1 1 88 ARG CG 27.627 . 27.31 1.65 8.4765e-01 15801 1 1 1 1 88 ARG CD 43.174 . 43.1 1.1 9.4636e-01 15801 1 1 1 1 88 ARG H 7.765 . 8.24 0.6 4.2856e-01 15801 1 1 1 1 88 ARG HA 4.031 . 4.27 0.44 5.8700e-01 15801 1 1 1 1 88 ARG HB2 2.036 . 1.79 0.28 3.7963e-01 15801 1 1 1 1 88 ARG HB3 1.768 . 1.78 0.28 9.6582e-01 15801 1 1 1 1 88 ARG HG2 3.222 A 1.58 0.27 1.1908e-09 15801 1 1 1 1 88 ARG HG3 3.222 A 1.58 0.27 1.1908e-09 15801 1 1 1 1 88 ARG HD2 3.120 . 3.13 0.23 9.6532e-01 15801 1 1 1 1 88 ARG HD3 3.120 . 3.13 0.22 9.6375e-01 15801 1 1 1 1 88 ARG N 124.127 . 120.61 3.9 3.6717e-01 15801 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 37 GLU GLU 0.36 15801 1 1 1 1 37 GLU ILE 0.27 15801 1 1 1 1 37 GLU LYS 0.18 15801 1 1 1 1 37 GLU GLN 0.12 15801 1 1 1 1 37 GLU ARG 0.02 15801 1 1 1 1 37 GLU MET 0.01 15801 1 1 1 1 88 ARG ARG 0.73 15801 1 1 1 1 88 ARG LYS 0.12 15801 1 1 1 1 88 ARG GLY 0.1 15801 1 1 1 1 88 ARG LEU 0.02 15801 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15801 _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.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 15801 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15801 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15801 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15801 _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_