data_AVS_bmrb_pdb_report_30075 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30075 _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 27 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 30075 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 30075 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 27 TRP C 177.096 . 176.12 2.01 6.2727e-01 30075 1 1 1 1 27 TRP CA 60.376 . 57.66 2.58 2.9247e-01 30075 1 1 1 1 27 TRP CB 27.906 . 30.01 2.01 2.9521e-01 30075 1 1 1 1 27 TRP CD1 135.599 A 126.51 1.83 6.8114e-07 30075 1 1 1 1 27 TRP CE3 117.689 . 120.43 1.79 1.2570e-01 30075 1 1 1 1 27 TRP CZ2 111.794 . 114.26 1.12 2.7680e-02 30075 1 1 1 1 27 TRP CZ3 119.202 . 121.35 1.53 1.6034e-01 30075 1 1 1 1 27 TRP CH2 121.899 . 123.86 1.42 1.6728e-01 30075 1 1 1 1 27 TRP H 9.418 . 8.29 0.79 1.5334e-01 30075 1 1 1 1 27 TRP HA 4.285 . 4.68 0.53 4.5610e-01 30075 1 1 1 1 27 TRP HB2 3.148 . 3.19 0.35 9.0448e-01 30075 1 1 1 1 27 TRP HB3 3.475 . 3.12 0.36 3.2408e-01 30075 1 1 1 1 27 TRP HD1 7.546 . 7.14 0.36 2.5941e-01 30075 1 1 1 1 27 TRP HE1 10.207 . 10.08 0.66 8.4741e-01 30075 1 1 1 1 27 TRP HE3 7.272 . 7.31 0.41 9.2616e-01 30075 1 1 1 1 27 TRP HZ2 7.337 . 7.28 0.33 8.6287e-01 30075 1 1 1 1 27 TRP HZ3 7.001 . 6.86 0.4 7.2446e-01 30075 1 1 1 1 27 TRP HH2 7.119 . 6.98 0.39 7.2153e-01 30075 1 1 1 1 27 TRP N 119.546 . 121.68 4.18 6.0968e-01 30075 1 1 1 1 27 TRP NE1 129.604 . 129.32 2.11 8.9293e-01 30075 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 27 TRP CYS 0.97 30075 1 1 1 1 27 TRP HIS 0.02 30075 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30075 _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 30075 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30075 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30075 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30075 _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_