data_AVS_bmrb_pdb_report_16241 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16241 _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 3 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16241 1 1 1 1 7 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16241 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 3 TRP CB 29.120 . 30.16 2.19 6.3487e-01 16241 1 1 1 1 3 TRP CG 111.469 . 110.37 1.55 4.7830e-01 16241 1 1 1 1 3 TRP CD1 126.866 . 126.16 1.76 6.8832e-01 16241 1 1 1 1 3 TRP CD2 129.718 . 127.4 1.33 8.1359e-02 16241 1 1 1 1 3 TRP CE2 139.355 A 137.38 2.86 4.8984e-01 16241 1 1 1 1 3 TRP CE3 120.689 . 120.38 1.5 8.3679e-01 16241 1 1 1 1 3 TRP CZ2 114.532 . 114.19 1.09 7.5370e-01 16241 1 1 1 1 3 TRP CZ3 121.978 . 121.57 1.76 8.1668e-01 16241 1 1 1 1 3 TRP CH2 124.564 . 123.75 1.34 5.4354e-01 16241 1 1 1 1 3 TRP H 8.289 . 8.35 0.84 9.4211e-01 16241 1 1 1 1 3 TRP HA 4.629 . 4.74 0.55 8.4006e-01 16241 1 1 1 1 3 TRP HB2 3.410 . 3.22 0.36 5.9765e-01 16241 1 1 1 1 3 TRP HB3 3.410 . 3.18 0.36 5.2290e-01 16241 1 1 1 1 3 TRP HD1 7.270 . 7.16 0.34 7.4629e-01 16241 1 1 1 1 3 TRP HE1 9.778 . 10.13 0.53 5.0659e-01 16241 1 1 1 1 3 TRP HE3 7.631 . 7.17 1.03 6.5446e-01 16241 1 1 1 1 3 TRP HZ2 7.413 . 7.14 0.89 7.5904e-01 16241 1 1 1 1 3 TRP HZ3 7.051 . 6.68 1.02 7.1606e-01 16241 1 1 1 1 3 TRP HH2 7.223 . 6.82 0.94 6.6812e-01 16241 1 1 1 1 3 TRP N 119.200 . 121.87 4.58 5.5991e-01 16241 1 1 1 1 3 TRP NE1 127.435 . 129.48 2.56 4.2439e-01 16241 1 1 1 1 7 TRP CA 57.537 . 57.71 2.65 9.4795e-01 16241 1 1 1 1 7 TRP CB 29.031 . 30.16 2.19 6.0619e-01 16241 1 1 1 1 7 TRP CD1 126.957 . 126.16 1.76 6.5066e-01 16241 1 1 1 1 7 TRP CE2 139.345 A 137.38 2.86 4.9204e-01 16241 1 1 1 1 7 TRP CE3 120.673 . 120.38 1.5 8.4513e-01 16241 1 1 1 1 7 TRP CZ2 114.224 . 114.19 1.09 9.7512e-01 16241 1 1 1 1 7 TRP CZ3 121.976 . 121.57 1.76 8.1756e-01 16241 1 1 1 1 7 TRP CH2 124.497 . 123.75 1.34 5.7721e-01 16241 1 1 1 1 7 TRP H 8.210 . 8.35 0.84 8.6763e-01 16241 1 1 1 1 7 TRP HA 4.218 . 4.74 0.55 3.4257e-01 16241 1 1 1 1 7 TRP HB2 3.034 . 3.22 0.36 6.0539e-01 16241 1 1 1 1 7 TRP HB3 3.262 . 3.18 0.36 8.1982e-01 16241 1 1 1 1 7 TRP HD1 6.931 . 7.16 0.34 5.0061e-01 16241 1 1 1 1 7 TRP HE1 8.883 . 10.13 0.53 1.8631e-02 16241 1 1 1 1 7 TRP HE3 7.541 . 7.17 1.03 7.1870e-01 16241 1 1 1 1 7 TRP HZ2 7.424 . 7.14 0.89 7.4965e-01 16241 1 1 1 1 7 TRP HZ3 7.135 . 6.68 1.02 6.5554e-01 16241 1 1 1 1 7 TRP HH2 7.253 . 6.82 0.94 6.4506e-01 16241 1 1 1 1 7 TRP N 119.652 . 121.87 4.58 6.2819e-01 16241 1 1 1 1 7 TRP NE1 125.764 . 129.48 2.56 1.4662e-01 16241 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 3 TRP TRP 1 16241 1 1 1 1 7 TRP TRP 0.99 16241 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16241 _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.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 16241 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16241 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16241 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16241 _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_