data_AVS_bmrb_pdb_report_5592 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5592 _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 5592 1 1 1 1 23 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5592 1 1 1 1 35 CYS Anomalous Consistent 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 5592 1 1 1 1 23 TRP C 173.48 . 176.1 1.89 1.6567e-01 5592 1 1 1 1 23 TRP CA 53.52 . 57.71 2.65 1.1385e-01 5592 1 1 1 1 23 TRP CB 24.08 M 30.16 2.19 5.4989e-03 5592 1 1 1 1 23 TRP H 8.784 . 8.35 0.84 6.0539e-01 5592 1 1 1 1 23 TRP HA 4.45 . 4.74 0.55 5.9800e-01 5592 1 1 1 1 23 TRP HE1 11.074 . 10.13 0.53 7.4891e-02 5592 1 1 1 1 23 TRP N 118.613 . 121.87 4.58 4.7700e-01 5592 1 1 1 1 23 TRP NE1 130.670 . 129.48 2.56 6.4204e-01 5592 1 1 1 1 35 CYS C 168.39 M 174.78 1.99 1.3225e-03 5592 1 1 1 1 35 CYS CA 54.29 . 57.43 3.41 3.5714e-01 5592 1 1 1 1 35 CYS CB 26.75 . 34.15 6.77 2.7437e-01 5592 1 1 1 1 35 CYS H 7.816 . 8.42 0.66 3.6011e-01 5592 1 1 1 1 35 CYS HA 4.73 . 4.73 0.57 1.0000e+00 5592 1 1 1 1 35 CYS N 118.448 . 119.95 4.79 7.5385e-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 5592 1 1 1 1 23 TRP LEU 0.49 5592 1 1 1 1 23 TRP LYS 0.21 5592 1 1 1 1 23 TRP CYS 0.13 5592 1 1 1 1 23 TRP MET 0.05 5592 1 1 1 1 23 TRP ARG 0.04 5592 1 1 1 1 23 TRP ALA 0.01 5592 1 1 1 1 23 TRP GLN 0.01 5592 1 1 1 1 35 CYS LEU 0.31 5592 1 1 1 1 35 CYS ARG 0.19 5592 1 1 1 1 35 CYS CYS 0.13 5592 1 1 1 1 35 CYS GLN 0.1 5592 1 1 1 1 35 CYS HIS 0.08 5592 1 1 1 1 35 CYS LYS 0.07 5592 1 1 1 1 35 CYS TRP 0.04 5592 1 1 1 1 35 CYS GLU 0.02 5592 1 1 1 1 35 CYS ILE 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5592 _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 5592 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 5592 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5592 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5592 _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_