data_AVS_bmrb_pdb_report_7019 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7019 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 7019 1 1 1 1 83 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 7019 1 1 1 1 104 TYR Anomalous Consistent Consistent Suspicious Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 7019 1 1 1 1 83 TRP C 175.545 . 176.1 1.89 7.6902e-01 7019 1 1 1 1 83 TRP CA 58.085 . 57.71 2.65 8.8747e-01 7019 1 1 1 1 83 TRP CB 25.911 . 30.16 2.19 5.2358e-02 7019 1 1 1 1 83 TRP CD1 121.989 . 126.16 1.76 1.7794e-02 7019 1 1 1 1 83 TRP CE3 116.170 M 120.38 1.5 5.0057e-03 7019 1 1 1 1 83 TRP CZ2 111.751 . 114.19 1.09 2.5246e-02 7019 1 1 1 1 83 TRP CZ3 118.398 . 121.57 1.76 7.1503e-02 7019 1 1 1 1 83 TRP CH2 120.701 . 123.75 1.34 2.2884e-02 7019 1 1 1 1 83 TRP H 8.269 . 8.35 0.84 9.2318e-01 7019 1 1 1 1 83 TRP HA 4.201 . 4.74 0.55 3.2709e-01 7019 1 1 1 1 83 TRP HB2 3.367 . 3.22 0.36 6.8303e-01 7019 1 1 1 1 83 TRP HB3 3.228 . 3.18 0.36 8.9393e-01 7019 1 1 1 1 83 TRP HD1 6.971 . 7.16 0.34 5.7829e-01 7019 1 1 1 1 83 TRP HE1 10.057 . 10.13 0.53 8.9045e-01 7019 1 1 1 1 83 TRP HE3 7.159 . 7.17 1.03 9.9148e-01 7019 1 1 1 1 83 TRP HZ2 7.383 . 7.14 0.89 7.8483e-01 7019 1 1 1 1 83 TRP HZ3 6.591 . 6.68 1.02 9.3047e-01 7019 1 1 1 1 83 TRP HH2 6.761 . 6.82 0.94 9.4995e-01 7019 1 1 1 1 83 TRP N 121.356 . 121.87 4.58 9.1064e-01 7019 1 1 1 1 83 TRP NE1 128.981 . 129.48 2.56 8.4545e-01 7019 1 1 1 1 104 TYR C 170.873 . 175.39 1.89 1.6851e-02 7019 1 1 1 1 104 TYR CA 53.576 . 58.02 2.64 9.2311e-02 7019 1 1 1 1 104 TYR CB 38.348 . 39.16 2.23 7.1576e-01 7019 1 1 1 1 104 TYR CD1 130.796 . 132.54 1.35 1.9641e-01 7019 1 1 1 1 104 TYR CD2 130.796 . 132.26 1.99 4.6193e-01 7019 1 1 1 1 104 TYR CE1 114.334 . 117.81 2.09 9.6281e-02 7019 1 1 1 1 104 TYR CE2 114.334 M 117.91 2.6 1.6901e-01 7019 1 1 1 1 104 TYR H 8.876 . 8.37 0.75 4.9989e-01 7019 1 1 1 1 104 TYR HA 4.813 . 4.63 0.56 7.4383e-01 7019 1 1 1 1 104 TYR HB2 2.183 . 2.91 0.37 4.9430e-02 7019 1 1 1 1 104 TYR HB3 1.456 S 2.91 0.37 8.5041e-05 7019 1 1 1 1 104 TYR HD1 6.749 . 6.87 0.65 8.5232e-01 7019 1 1 1 1 104 TYR HD2 6.749 . 6.86 0.68 8.7033e-01 7019 1 1 1 1 104 TYR HE1 6.563 . 6.64 0.58 8.9438e-01 7019 1 1 1 1 104 TYR HE2 6.563 . 6.63 0.61 9.1254e-01 7019 1 1 1 1 104 TYR N 119.811 . 120.79 4.69 8.3465e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 7019 1 1 1 1 83 TRP CYS 0.99 7019 1 1 1 1 104 TYR CYS 0.73 7019 1 1 1 1 104 TYR TYR 0.26 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7019 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 7019 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 7019 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7019 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7019 _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_