data_AVS_bmrb_pdb_report_5355 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5355 _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 5355 1 1 1 1 146 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5355 1 1 1 1 159 TRP 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 5355 1 1 1 1 146 GLN C 175.139 . 176.39 1.96 5.2330e-01 5355 1 1 1 1 146 GLN CA 53.680 . 56.62 2.19 1.7944e-01 5355 1 1 1 1 146 GLN CB 30.587 . 29.1 1.97 4.5036e-01 5355 1 1 1 1 146 GLN H 8.925 . 8.22 0.62 2.5550e-01 5355 1 1 1 1 146 GLN HA 5.649 . 4.28 0.44 1.8623e-03 5355 1 1 1 1 146 GLN HE22 9.090 M 7.07 0.49 3.7487e-05 5355 1 1 1 1 146 GLN N 123.119 . 119.92 4.01 4.2501e-01 5355 1 1 1 1 159 TRP C 176.126 . 176.1 1.89 9.8902e-01 5355 1 1 1 1 159 TRP CA 55.651 . 57.71 2.65 4.3717e-01 5355 1 1 1 1 159 TRP CB 34.315 . 30.16 2.19 5.7794e-02 5355 1 1 1 1 159 TRP H 10.371 . 8.35 0.84 1.6130e-02 5355 1 1 1 1 159 TRP HA 5.925 . 4.74 0.55 3.1197e-02 5355 1 1 1 1 159 TRP N 134.639 M 121.87 4.58 5.3036e-03 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 5355 1 1 1 1 146 GLN HIS 0.22 5355 1 1 1 1 146 GLN ARG 0.17 5355 1 1 1 1 146 GLN MET 0.14 5355 1 1 1 1 146 GLN TRP 0.13 5355 1 1 1 1 146 GLN GLN 0.13 5355 1 1 1 1 146 GLN GLU 0.09 5355 1 1 1 1 146 GLN LYS 0.07 5355 1 1 1 1 159 TRP MET 0.25 5355 1 1 1 1 159 TRP GLN 0.25 5355 1 1 1 1 159 TRP LYS 0.2 5355 1 1 1 1 159 TRP GLU 0.12 5355 1 1 1 1 159 TRP TRP 0.03 5355 1 1 1 1 159 TRP HIS 0.03 5355 1 1 1 1 159 TRP ARG 0.03 5355 1 1 1 1 159 TRP TYR 0.02 5355 1 1 1 1 159 TRP VAL 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5355 _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 5355 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 5355 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5355 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5355 _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_