data_AVS_bmrb_pdb_report_6338 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6338 _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 6338 1 1 1 1 10 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6338 1 1 1 1 71 SER Anomalous Consistent Consistent Anomalous Consistent 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 6338 1 1 1 1 10 TRP C 174.621 . 176.1 1.89 4.3390e-01 6338 1 1 1 1 10 TRP CA 55.571 . 57.71 2.65 4.1957e-01 6338 1 1 1 1 10 TRP CB 29.264 . 30.16 2.19 6.8244e-01 6338 1 1 1 1 10 TRP H 8.906 . 8.35 0.84 5.0803e-01 6338 1 1 1 1 10 TRP HA 4.630 . 4.74 0.55 8.4148e-01 6338 1 1 1 1 10 TRP HB2 3.433 . 3.22 0.36 5.5407e-01 6338 1 1 1 1 10 TRP HB3 2.947 . 3.18 0.36 5.1749e-01 6338 1 1 1 1 10 TRP HD1 5.491 M 7.16 0.34 9.1624e-07 6338 1 1 1 1 10 TRP HE1 9.767 . 10.13 0.53 4.9340e-01 6338 1 1 1 1 10 TRP N 124.800 . 121.87 4.58 5.2234e-01 6338 1 1 1 1 10 TRP NE1 126.588 . 129.48 2.56 2.5861e-01 6338 1 1 1 1 71 SER C 173.423 . 174.53 1.73 5.2225e-01 6338 1 1 1 1 71 SER CA 57.409 . 58.57 2.12 5.8394e-01 6338 1 1 1 1 71 SER CB 65.894 . 63.8 1.57 1.8228e-01 6338 1 1 1 1 71 SER H 7.683 . 8.29 0.62 3.2756e-01 6338 1 1 1 1 71 SER HA 5.661 . 4.51 0.43 7.4341e-03 6338 1 1 1 1 71 SER HB2 5.204 M 3.88 0.29 4.9826e-06 6338 1 1 1 1 71 SER N 116.374 . 116.3 3.95 9.8505e-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 6338 1 1 1 1 10 TRP HIS 0.18 6338 1 1 1 1 10 TRP LYS 0.16 6338 1 1 1 1 10 TRP CYS 0.13 6338 1 1 1 1 10 TRP TRP 0.13 6338 1 1 1 1 10 TRP GLU 0.13 6338 1 1 1 1 10 TRP ARG 0.13 6338 1 1 1 1 10 TRP MET 0.05 6338 1 1 1 1 10 TRP LEU 0.02 6338 1 1 1 1 10 TRP ILE 0.01 6338 1 1 1 1 71 SER SER 0.94 6338 1 1 1 1 71 SER THR 0.05 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6338 _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 6338 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 6338 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6338 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6338 _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_