data_AVS_bmrb_pdb_report_17300 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17300 _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 32 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 17300 1 1 1 1 35 TRP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17300 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 32 TRP C 171.833 . 176.1 1.89 2.3966e-02 17300 1 1 1 1 32 TRP CA 54.526 . 57.71 2.65 2.2955e-01 17300 1 1 1 1 32 TRP CB 33.251 . 30.16 2.19 1.5812e-01 17300 1 1 1 1 32 TRP CD1 131.754 A 126.16 1.76 1.4809e-03 17300 1 1 1 1 32 TRP CZ2 113.877 . 114.19 1.09 7.7399e-01 17300 1 1 1 1 32 TRP CZ3 124.717 . 121.57 1.76 7.3765e-02 17300 1 1 1 1 32 TRP CH2 127.405 . 123.75 1.34 6.3795e-03 17300 1 1 1 1 32 TRP H 8.607 . 8.35 0.84 7.5964e-01 17300 1 1 1 1 32 TRP HA 5.182 . 4.74 0.55 4.2161e-01 17300 1 1 1 1 32 TRP HB2 3.280 . 3.22 0.36 8.6763e-01 17300 1 1 1 1 32 TRP HB3 2.974 . 3.18 0.36 5.6717e-01 17300 1 1 1 1 32 TRP HD1 7.267 . 7.16 0.34 7.5298e-01 17300 1 1 1 1 32 TRP HE1 10.825 . 10.13 0.53 1.8975e-01 17300 1 1 1 1 32 TRP HE3 8.915 . 7.17 1.03 9.0232e-02 17300 1 1 1 1 32 TRP HZ2 7.546 . 7.14 0.89 6.4826e-01 17300 1 1 1 1 32 TRP HZ3 7.210 . 6.68 1.02 6.0334e-01 17300 1 1 1 1 32 TRP HH2 6.740 . 6.82 0.94 9.3218e-01 17300 1 1 1 1 32 TRP N 120.726 . 121.87 4.58 8.0276e-01 17300 1 1 1 1 32 TRP NE1 130.698 . 129.48 2.56 6.3423e-01 17300 1 1 1 1 35 TRP C 175.418 . 176.1 1.89 7.1821e-01 17300 1 1 1 1 35 TRP CA 54.175 . 57.71 2.65 1.8222e-01 17300 1 1 1 1 35 TRP CB 28.735 . 30.16 2.19 5.1525e-01 17300 1 1 1 1 35 TRP CD1 129.354 . 126.16 1.76 6.9559e-02 17300 1 1 1 1 35 TRP CZ2 114.594 . 114.19 1.09 7.1090e-01 17300 1 1 1 1 35 TRP H 6.352 . 8.35 0.84 1.7380e-02 17300 1 1 1 1 35 TRP HA 4.495 . 4.74 0.55 6.5599e-01 17300 1 1 1 1 35 TRP HB2 3.616 . 3.22 0.36 2.7133e-01 17300 1 1 1 1 35 TRP HB3 3.139 . 3.18 0.36 9.0933e-01 17300 1 1 1 1 35 TRP HD1 7.392 . 7.16 0.34 4.9502e-01 17300 1 1 1 1 35 TRP HE1 11.730 . 10.13 0.53 2.5372e-03 17300 1 1 1 1 35 TRP HZ2 7.301 . 7.14 0.89 8.5645e-01 17300 1 1 1 1 35 TRP N 111.955 . 121.87 4.58 3.0399e-02 17300 1 1 1 1 35 TRP NE1 136.793 A 129.48 2.56 4.2815e-03 17300 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 32 TRP CYS 0.78 17300 1 1 1 1 32 TRP HIS 0.21 17300 1 1 1 1 35 TRP CYS 0.41 17300 1 1 1 1 35 TRP HIS 0.38 17300 1 1 1 1 35 TRP TRP 0.2 17300 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17300 _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 17300 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17300 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17300 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17300 _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_