data_AVS_bmrb_pdb_report_17831 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17831 _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 35 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17831 1 1 1 1 77 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17831 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 35 TRP C 175.739 . 176.1 1.89 8.4852e-01 17831 1 1 1 1 35 TRP CA 57.512 . 57.71 2.65 9.4044e-01 17831 1 1 1 1 35 TRP CB 34.024 . 30.16 2.19 7.7668e-02 17831 1 1 1 1 35 TRP H 9.368 . 8.35 0.84 2.2555e-01 17831 1 1 1 1 35 TRP HA 5.395 . 4.74 0.55 2.3369e-01 17831 1 1 1 1 35 TRP HB2 2.456 . 3.22 0.36 3.3819e-02 17831 1 1 1 1 35 TRP HB3 2.951 . 3.18 0.36 5.2470e-01 17831 1 1 1 1 35 TRP HE1 5.661 A 10.13 0.53 3.3959e-17 17831 1 1 1 1 35 TRP N 122.333 . 121.87 4.58 9.1948e-01 17831 1 1 1 1 35 TRP NE1 121.647 . 129.48 2.56 2.2151e-03 17831 1 1 1 1 77 GLU C 176.918 . 176.93 2.11 9.9546e-01 17831 1 1 1 1 77 GLU CA 55.297 . 57.42 2.19 3.3234e-01 17831 1 1 1 1 77 GLU CB 30.848 . 30.07 1.84 6.7242e-01 17831 1 1 1 1 77 GLU CG 36.150 . 36.01 1.51 9.2613e-01 17831 1 1 1 1 77 GLU H 8.277 . 8.34 0.61 9.1774e-01 17831 1 1 1 1 77 GLU HA 3.951 . 4.26 0.43 4.7238e-01 17831 1 1 1 1 77 GLU HB2 0.834 S 2.04 0.22 4.2098e-08 17831 1 1 1 1 77 GLU HB3 1.164 S 2.04 0.23 1.3970e-04 17831 1 1 1 1 77 GLU HG2 0.863 S 2.31 0.21 5.5606e-12 17831 1 1 1 1 77 GLU HG3 0.863 A 2.31 0.21 5.5606e-12 17831 1 1 1 1 77 GLU N 124.161 . 120.68 3.68 3.4419e-01 17831 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 35 TRP CYS 0.21 17831 1 1 1 1 35 TRP GLN 0.18 17831 1 1 1 1 35 TRP LYS 0.16 17831 1 1 1 1 35 TRP MET 0.15 17831 1 1 1 1 35 TRP GLU 0.08 17831 1 1 1 1 35 TRP TRP 0.04 17831 1 1 1 1 35 TRP VAL 0.04 17831 1 1 1 1 35 TRP ARG 0.03 17831 1 1 1 1 35 TRP HIS 0.03 17831 1 1 1 1 35 TRP TYR 0.01 17831 1 1 1 1 77 GLU CYS 0.35 17831 1 1 1 1 77 GLU GLU 0.34 17831 1 1 1 1 77 GLU MET 0.17 17831 1 1 1 1 77 GLU LYS 0.05 17831 1 1 1 1 77 GLU GLN 0.04 17831 1 1 1 1 77 GLU ILE 0.01 17831 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17831 _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 17831 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17831 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17831 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17831 _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_