data_AVS_bmrb_pdb_report_18151 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18151 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 91 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 18151 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 91 TRP C 176.814 . 176.12 2.01 7.2989e-01 18151 1 1 1 1 91 TRP CA 60.459 . 57.66 2.58 2.7797e-01 18151 1 1 1 1 91 TRP CB 29.550 . 30.01 2.01 8.1898e-01 18151 1 1 1 1 91 TRP CD2 139.1 A 127.57 1.55 1.0167e-13 18151 1 1 1 1 91 TRP CE2 169.050 S 138.31 6.98 1.0627e-05 18151 1 1 1 1 91 TRP H 8.442 . 8.29 0.79 8.4742e-01 18151 1 1 1 1 91 TRP HA 4.336 . 4.68 0.53 5.1630e-01 18151 1 1 1 1 91 TRP HB2 3.243 . 3.19 0.35 8.7964e-01 18151 1 1 1 1 91 TRP HB3 3.364 . 3.12 0.36 4.9791e-01 18151 1 1 1 1 91 TRP HD1 7.149 . 7.14 0.36 9.8006e-01 18151 1 1 1 1 91 TRP HE1 10.116 . 10.08 0.66 9.5650e-01 18151 1 1 1 1 91 TRP HE3 7.470 . 7.31 0.41 6.9636e-01 18151 1 1 1 1 91 TRP HZ2 7.262 . 7.28 0.33 9.5650e-01 18151 1 1 1 1 91 TRP HZ3 6.918 . 6.86 0.4 8.8471e-01 18151 1 1 1 1 91 TRP HH2 7.013 . 6.98 0.39 9.3257e-01 18151 1 1 1 1 91 TRP N 122.280 . 121.68 4.18 8.8586e-01 18151 1 1 1 1 91 TRP NE1 128.807 . 129.32 2.11 8.0791e-01 18151 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 91 TRP CYS 0.68 18151 1 1 1 1 91 TRP HIS 0.31 18151 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18151 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 18151 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18151 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18151 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18151 _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_