data_AVS_bmrb_pdb_report_18244 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18244 _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 39 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 18244 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 39 TRP C 182.3000 A 176.12 2.01 2.1077e-03 18244 1 1 1 1 39 TRP CA 60.1000 . 57.66 2.58 3.4428e-01 18244 1 1 1 1 39 TRP CB 29.4000 . 30.01 2.01 7.6152e-01 18244 1 1 1 1 39 TRP CD1 129.0000 . 126.51 1.83 1.7362e-01 18244 1 1 1 1 39 TRP CE3 120.4210 . 120.43 1.79 9.9599e-01 18244 1 1 1 1 39 TRP CZ2 113.3000 . 114.26 1.12 3.9137e-01 18244 1 1 1 1 39 TRP CZ3 120.5000 . 121.35 1.53 5.7851e-01 18244 1 1 1 1 39 TRP CH2 124.0160 . 123.86 1.42 9.1252e-01 18244 1 1 1 1 39 TRP H 10.3630 . 8.29 0.79 8.6891e-03 18244 1 1 1 1 39 TRP HA 4.5330 . 4.68 0.53 7.8150e-01 18244 1 1 1 1 39 TRP HB2 3.3850 . 3.19 0.35 5.7743e-01 18244 1 1 1 1 39 TRP HB3 3.3430 . 3.12 0.36 5.3562e-01 18244 1 1 1 1 39 TRP HD1 7.9400 . 7.14 0.36 2.6268e-02 18244 1 1 1 1 39 TRP HE3 7.3980 . 7.31 0.41 8.3005e-01 18244 1 1 1 1 39 TRP HZ2 7.2460 . 7.28 0.33 9.1794e-01 18244 1 1 1 1 39 TRP HZ3 6.7350 . 6.86 0.4 7.5466e-01 18244 1 1 1 1 39 TRP HH2 7.2100 . 6.98 0.39 5.5536e-01 18244 1 1 1 1 39 TRP N 123.7440 . 121.68 4.18 6.2146e-01 18244 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 39 TRP TRP 0.99 18244 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18244 _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 18244 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18244 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18244 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18244 _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_