data_AVS_bmrb_pdb_report_11295 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11295 _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 1 131 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11295 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 1 131 TRP C 180.302 . 176.1 1.89 2.6197e-02 11295 1 1 1 1 131 TRP CA 62.598 . 57.71 2.65 6.5106e-02 11295 1 1 1 1 131 TRP CB 29.240 . 30.16 2.19 6.7442e-01 11295 1 1 1 1 131 TRP CD1 127.384 . 126.16 1.76 4.8677e-01 11295 1 1 1 1 131 TRP CE3 120.918 . 120.38 1.5 7.1984e-01 11295 1 1 1 1 131 TRP CZ2 113.528 . 114.19 1.09 5.4363e-01 11295 1 1 1 1 131 TRP CZ3 119.623 . 121.57 1.76 2.6862e-01 11295 1 1 1 1 131 TRP CH2 124.942 . 123.75 1.34 3.7371e-01 11295 1 1 1 1 131 TRP H 8.300 . 8.35 0.84 9.5254e-01 11295 1 1 1 1 131 TRP HA 4.025 . 4.74 0.55 1.9360e-01 11295 1 1 1 1 131 TRP HB2 3.409 . 3.22 0.36 5.9958e-01 11295 1 1 1 1 131 TRP HB3 2.800 . 3.18 0.36 2.9117e-01 11295 1 1 1 1 131 TRP HD1 5.168 A 7.16 0.34 4.6616e-09 11295 1 1 1 1 131 TRP HE1 9.623 . 10.13 0.53 3.3877e-01 11295 1 1 1 1 131 TRP HE3 7.201 . 7.17 1.03 9.7599e-01 11295 1 1 1 1 131 TRP HZ2 7.008 . 7.14 0.89 8.8209e-01 11295 1 1 1 1 131 TRP HZ3 6.601 . 6.68 1.02 9.3827e-01 11295 1 1 1 1 131 TRP HH2 7.337 . 6.82 0.94 5.8232e-01 11295 1 1 1 1 131 TRP N 122.336 . 121.87 4.58 9.1896e-01 11295 1 1 1 1 131 TRP NE1 129.673 . 129.48 2.56 9.3990e-01 11295 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 1 131 TRP TRP 0.59 11295 1 1 1 1 131 TRP CYS 0.38 11295 1 1 1 1 131 TRP HIS 0.01 11295 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11295 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _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 11295 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11295 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11295 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11295 _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_