data_AVS_bmrb_pdb_report_7109 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7109 _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 7109 1 1 1 1 28 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 7109 1 1 1 1 28 TRP C 176.040 . 176.1 1.89 9.7467e-01 7109 1 1 1 1 28 TRP CA 54.085 . 57.71 2.65 1.7134e-01 7109 1 1 1 1 28 TRP CB 28.929 . 30.16 2.19 5.7405e-01 7109 1 1 1 1 28 TRP H 6.320 . 8.35 0.84 1.5663e-02 7109 1 1 1 1 28 TRP HA 4.619 . 4.74 0.55 8.2587e-01 7109 1 1 1 1 28 TRP HB2 3.666 . 3.22 0.36 2.1539e-01 7109 1 1 1 1 28 TRP HB3 3.191 . 3.18 0.36 9.7562e-01 7109 1 1 1 1 28 TRP HD1 7.392 . 7.16 0.34 4.9502e-01 7109 1 1 1 1 28 TRP HE1 11.687 . 10.13 0.53 3.3062e-03 7109 1 1 1 1 28 TRP N 110.906 . 121.87 4.58 1.6671e-02 7109 1 1 1 1 28 TRP NE1 136.525 M 129.48 2.56 5.9241e-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 7109 1 1 1 1 28 TRP HIS 0.19 7109 1 1 1 1 28 TRP GLN 0.17 7109 1 1 1 1 28 TRP LYS 0.15 7109 1 1 1 1 28 TRP CYS 0.15 7109 1 1 1 1 28 TRP TRP 0.11 7109 1 1 1 1 28 TRP GLU 0.08 7109 1 1 1 1 28 TRP LEU 0.05 7109 1 1 1 1 28 TRP MET 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7109 _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 7109 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 7109 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7109 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7109 _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_