data_AVS_bmrb_pdb_report_18292 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18292 _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 25 TRP Anomalous Suspicious Consistent Suspicious Anomalous Consistent . . 18292 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 25 TRP C 174.056 . 176.12 2.01 3.0448e-01 18292 1 1 1 1 25 TRP CA 56.093 . 57.66 2.58 5.4361e-01 18292 1 1 1 1 25 TRP CB 25.016 . 30.01 2.01 1.2971e-02 18292 1 1 1 1 25 TRP CD1 123.964 . 126.51 1.83 1.6415e-01 18292 1 1 1 1 25 TRP CE3 115.045 . 120.43 1.79 2.6264e-03 18292 1 1 1 1 25 TRP CZ2 109.100 A 114.26 1.12 4.0824e-06 18292 1 1 1 1 25 TRP CZ3 116.189 S 121.35 1.53 7.4299e-04 18292 1 1 1 1 25 TRP CH2 119.205 . 123.86 1.42 1.0448e-03 18292 1 1 1 1 25 TRP HA 4.214 . 4.68 0.53 3.7927e-01 18292 1 1 1 1 25 TRP HB2 3.294 . 3.19 0.35 7.6636e-01 18292 1 1 1 1 25 TRP HB3 3.448 . 3.12 0.36 3.6224e-01 18292 1 1 1 1 25 TRP HD1 7.576 . 7.14 0.36 2.2585e-01 18292 1 1 1 1 25 TRP HE1 10.053 . 10.08 0.66 9.6737e-01 18292 1 1 1 1 25 TRP HE3 6.863 . 7.31 0.41 2.7561e-01 18292 1 1 1 1 25 TRP HZ2 7.146 . 7.28 0.33 6.8470e-01 18292 1 1 1 1 25 TRP HZ3 5.352 S 6.86 0.4 1.6325e-04 18292 1 1 1 1 25 TRP HH2 6.092 . 6.98 0.39 2.2791e-02 18292 1 1 1 1 25 TRP N 121.382 . 121.68 4.18 9.4317e-01 18292 1 1 1 1 25 TRP NE1 129.748 . 129.32 2.11 8.3926e-01 18292 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 25 TRP CYS 0.99 18292 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18292 _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 18292 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18292 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18292 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18292 _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_