data_AVS_bmrb_pdb_report_5719 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5719 _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 5719 1 1 1 1 41 TRP 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 5719 1 1 1 1 41 TRP C 178.497 . 176.1 1.89 2.0471e-01 5719 1 1 1 1 41 TRP CA 61.584 . 57.71 2.65 1.4377e-01 5719 1 1 1 1 41 TRP CB 28.611 . 30.16 2.19 4.7938e-01 5719 1 1 1 1 41 TRP CD1 127.995 . 126.16 1.76 2.9713e-01 5719 1 1 1 1 41 TRP CE2 177.710 M 137.38 2.86 3.7232e-45 5719 1 1 1 1 41 TRP CE3 120.182 . 120.38 1.5 8.9498e-01 5719 1 1 1 1 41 TRP CZ2 115.182 . 114.19 1.09 3.6277e-01 5719 1 1 1 1 41 TRP CZ3 128.464 S 121.57 1.76 8.9641e-05 5719 1 1 1 1 41 TRP CH2 123.307 . 123.75 1.34 7.4095e-01 5719 1 1 1 1 41 TRP H 7.919 . 8.35 0.84 6.0788e-01 5719 1 1 1 1 41 TRP HA 4.356 . 4.74 0.55 4.8506e-01 5719 1 1 1 1 41 TRP HB2 3.724 . 3.22 0.36 1.6151e-01 5719 1 1 1 1 41 TRP HB3 3.861 . 3.18 0.36 5.8536e-02 5719 1 1 1 1 41 TRP HD1 7.726 . 7.16 0.34 9.5971e-02 5719 1 1 1 1 41 TRP HE1 10.415 . 10.13 0.53 5.9076e-01 5719 1 1 1 1 41 TRP HE3 7.163 . 7.17 1.03 9.9458e-01 5719 1 1 1 1 41 TRP HZ2 7.415 . 7.14 0.89 7.5733e-01 5719 1 1 1 1 41 TRP HZ3 7.427 . 6.68 1.02 4.6395e-01 5719 1 1 1 1 41 TRP HH2 7.126 . 6.82 0.94 7.4478e-01 5719 1 1 1 1 41 TRP N 121.431 . 121.87 4.58 9.2364e-01 5719 1 1 1 1 41 TRP NE1 130.443 . 129.48 2.56 7.0679e-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 5719 1 1 1 1 41 TRP HIS 0.94 5719 1 1 1 1 41 TRP TRP 0.05 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5719 _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 5719 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 5719 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5719 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5719 _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_