data_AVS_bmrb_pdb_report_11154 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11154 _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 42 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11154 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 42 TRP C 175.169 . 176.1 1.89 6.2230e-01 11154 1 1 1 1 42 TRP CA 57.187 . 57.71 2.65 8.4355e-01 11154 1 1 1 1 42 TRP CB 31.206 . 30.16 2.19 6.3292e-01 11154 1 1 1 1 42 TRP CD1 129.965 A 126.16 1.76 3.0623e-02 11154 1 1 1 1 42 TRP CE3 120.188 . 120.38 1.5 8.9815e-01 11154 1 1 1 1 42 TRP CZ2 114.597 . 114.19 1.09 7.0885e-01 11154 1 1 1 1 42 TRP CZ3 120.370 . 121.57 1.76 4.9535e-01 11154 1 1 1 1 42 TRP CH2 124.762 . 123.75 1.34 4.5011e-01 11154 1 1 1 1 42 TRP H 8.303 . 8.35 0.84 9.5538e-01 11154 1 1 1 1 42 TRP HA 4.988 . 4.74 0.55 6.5205e-01 11154 1 1 1 1 42 TRP HB2 2.848 . 3.22 0.36 3.0145e-01 11154 1 1 1 1 42 TRP HB3 2.807 . 3.18 0.36 3.0015e-01 11154 1 1 1 1 42 TRP HD1 8.056 . 7.16 0.34 8.4064e-03 11154 1 1 1 1 42 TRP HE1 10.174 . 10.13 0.53 9.3384e-01 11154 1 1 1 1 42 TRP HE3 7.171 . 7.17 1.03 9.9923e-01 11154 1 1 1 1 42 TRP HZ2 7.433 . 7.14 0.89 7.4199e-01 11154 1 1 1 1 42 TRP HZ3 6.863 . 6.68 1.02 8.5761e-01 11154 1 1 1 1 42 TRP HH2 7.311 . 6.82 0.94 6.0143e-01 11154 1 1 1 1 42 TRP N 121.574 . 121.87 4.58 9.4847e-01 11154 1 1 1 1 42 TRP NE1 129.526 . 129.48 2.56 9.8566e-01 11154 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 42 TRP TRP 0.99 11154 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11154 _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 11154 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11154 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11154 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11154 _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_