data_AVS_bmrb_pdb_report_19109 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19109 _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 58 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 19109 1 1 1 2 1 CA UNSUPPORTED . . . . . . . 19109 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 58 TRP C 175.712 . 176.12 2.01 8.3915e-01 19109 1 1 1 1 58 TRP CA 61.135 . 57.66 2.58 1.7801e-01 19109 1 1 1 1 58 TRP CB 28.731 . 30.01 2.01 5.2457e-01 19109 1 1 1 1 58 TRP CD1 133.490 A 126.51 1.83 1.3662e-04 19109 1 1 1 1 58 TRP CE3 125.205 . 120.43 1.79 7.6396e-03 19109 1 1 1 1 58 TRP CZ2 119.679 S 114.26 1.12 1.3089e-06 19109 1 1 1 1 58 TRP CZ3 126.863 S 121.35 1.53 3.1424e-04 19109 1 1 1 1 58 TRP CH2 129.625 S 123.86 1.42 4.9102e-05 19109 1 1 1 1 58 TRP H 8.512 . 8.29 0.79 7.7870e-01 19109 1 1 1 1 58 TRP HA 3.827 . 4.68 0.53 1.0752e-01 19109 1 1 1 1 58 TRP HB2 3.362 . 3.19 0.35 6.2312e-01 19109 1 1 1 1 58 TRP HB3 3.382 . 3.12 0.36 4.6675e-01 19109 1 1 1 1 58 TRP HE1 10.256 . 10.08 0.66 7.8973e-01 19109 1 1 1 1 58 TRP HE3 7.315 . 7.31 0.41 9.9027e-01 19109 1 1 1 1 58 TRP N 119.000 . 121.68 4.18 5.2143e-01 19109 1 1 1 1 58 TRP NE1 129.648 . 129.32 2.11 8.7647e-01 19109 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 58 TRP CYS 0.83 19109 1 1 1 1 58 TRP HIS 0.16 19109 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19109 _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 19109 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19109 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19109 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19109 _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_