data_AVS_bmrb_pdb_report_19149 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19149 _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 29 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 19149 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 29 TRP C 174.222 . 176.12 2.01 3.4503e-01 19149 1 1 1 1 29 TRP CA 56.057 . 57.66 2.58 5.3439e-01 19149 1 1 1 1 29 TRP CB 31.403 . 30.01 2.01 4.8829e-01 19149 1 1 1 1 29 TRP CD1 127.900 . 126.51 1.83 4.4752e-01 19149 1 1 1 1 29 TRP CE3 120.800 . 120.43 1.79 8.3624e-01 19149 1 1 1 1 29 TRP CZ2 114.900 . 114.26 1.12 5.6771e-01 19149 1 1 1 1 29 TRP CZ3 121.400 . 121.35 1.53 9.7393e-01 19149 1 1 1 1 29 TRP CH2 124.100 . 123.86 1.42 8.6579e-01 19149 1 1 1 1 29 TRP H 8.161 . 8.29 0.79 8.7029e-01 19149 1 1 1 1 29 TRP HA 4.460 . 4.68 0.53 6.7807e-01 19149 1 1 1 1 29 TRP HB2 1.450 S 3.19 0.35 6.6461e-07 19149 1 1 1 1 29 TRP HB3 2.048 . 3.12 0.36 2.9035e-03 19149 1 1 1 1 29 TRP HD1 6.670 . 7.14 0.36 1.9170e-01 19149 1 1 1 1 29 TRP HE3 9.850 A 7.31 0.41 5.8240e-10 19149 1 1 1 1 29 TRP HZ2 7.330 . 7.28 0.33 8.7957e-01 19149 1 1 1 1 29 TRP HZ3 7.380 . 6.86 0.4 1.9360e-01 19149 1 1 1 1 29 TRP HH2 7.190 . 6.98 0.39 5.9026e-01 19149 1 1 1 1 29 TRP N 120.834 . 121.68 4.18 8.3961e-01 19149 1 1 1 1 29 TRP NE1 128.600 . 129.32 2.11 7.3293e-01 19149 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 29 TRP TRP 0.54 19149 1 1 1 1 29 TRP CYS 0.45 19149 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19149 _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 19149 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19149 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19149 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19149 _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_