data_AVS_bmrb_pdb_report_11134 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11134 _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 16 TRP Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB3" 0.9964 11134 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 16 TRP C 177.217 . 176.1 1.89 5.5452e-01 11134 1 1 1 1 16 TRP CA 59.251 . 57.71 2.65 5.6090e-01 11134 1 1 1 1 16 TRP CB 26.115 . 30.16 2.19 6.4743e-02 11134 1 1 1 1 16 TRP CD1 123.965 . 126.16 1.76 2.1234e-01 11134 1 1 1 1 16 TRP CE3 117.205 . 120.38 1.5 3.4288e-02 11134 1 1 1 1 16 TRP CZ2 111.432 . 114.19 1.09 1.1397e-02 11134 1 1 1 1 16 TRP CZ3 118.701 . 121.57 1.76 1.0308e-01 11134 1 1 1 1 16 TRP CH2 121.784 . 123.75 1.34 1.4233e-01 11134 1 1 1 1 16 TRP H 8.156 . 8.35 0.84 8.1735e-01 11134 1 1 1 1 16 TRP HA 2.243 A 4.74 0.55 5.6254e-06 11134 1 1 1 1 16 TRP HB2 1.690 S 3.22 0.36 2.1377e-05 11134 1 1 1 1 16 TRP HB3 2.671 . 3.18 0.36 1.5739e-01 11134 1 1 1 1 16 TRP HD1 5.996 S 7.16 0.34 6.1814e-04 11134 1 1 1 1 16 TRP HE1 10.221 . 10.13 0.53 8.6367e-01 11134 1 1 1 1 16 TRP HE3 6.698 . 7.17 1.03 6.4677e-01 11134 1 1 1 1 16 TRP HZ2 7.244 . 7.14 0.89 9.0698e-01 11134 1 1 1 1 16 TRP HZ3 6.662 . 6.68 1.02 9.8592e-01 11134 1 1 1 1 16 TRP HH2 6.916 . 6.82 0.94 9.1866e-01 11134 1 1 1 1 16 TRP N 123.216 . 121.87 4.58 7.6884e-01 11134 1 1 1 1 16 TRP NE1 131.161 . 129.48 2.56 5.1141e-01 11134 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 16 TRP TRP 0.99 11134 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11134 _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 11134 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11134 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11134 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11134 _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_