data_AVS_bmrb_pdb_report_7193 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7193 _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 7193 1 1 1 1 54 TRP Anomalous Consistent Consistent Consistent 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 7193 1 1 1 1 54 TRP C 175.386 . 176.1 1.89 7.0560e-01 7193 1 1 1 1 54 TRP CA 55.298 . 57.71 2.65 3.6272e-01 7193 1 1 1 1 54 TRP CB 31.965 . 30.16 2.19 4.0983e-01 7193 1 1 1 1 54 TRP CD1 130.105 M 126.16 1.76 2.4995e-02 7193 1 1 1 1 54 TRP CE3 119.835 . 120.38 1.5 7.1636e-01 7193 1 1 1 1 54 TRP CZ2 113.873 . 114.19 1.09 7.7118e-01 7193 1 1 1 1 54 TRP CZ3 121.731 . 121.57 1.76 9.2711e-01 7193 1 1 1 1 54 TRP CH2 123.407 . 123.75 1.34 7.9797e-01 7193 1 1 1 1 54 TRP H 7.314 . 8.35 0.84 2.1745e-01 7193 1 1 1 1 54 TRP HA 5.322 . 4.74 0.55 2.8997e-01 7193 1 1 1 1 54 TRP HB2 2.963 . 3.22 0.36 4.7530e-01 7193 1 1 1 1 54 TRP HB3 2.963 . 3.18 0.36 5.4666e-01 7193 1 1 1 1 54 TRP HD1 7.464 . 7.16 0.34 3.7126e-01 7193 1 1 1 1 54 TRP HE1 10.204 . 10.13 0.53 8.8896e-01 7193 1 1 1 1 54 TRP HE3 7.032 . 7.17 1.03 8.9342e-01 7193 1 1 1 1 54 TRP HZ2 7.198 . 7.14 0.89 9.4804e-01 7193 1 1 1 1 54 TRP HZ3 6.684 . 6.68 1.02 9.9687e-01 7193 1 1 1 1 54 TRP HH2 6.962 . 6.82 0.94 8.7993e-01 7193 1 1 1 1 54 TRP N 121.000 . 121.87 4.58 8.4934e-01 7193 1 1 1 1 54 TRP NE1 130.241 . 129.48 2.56 7.6626e-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 7193 1 1 1 1 54 TRP CYS 0.69 7193 1 1 1 1 54 TRP TRP 0.3 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7193 _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 7193 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 7193 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7193 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7193 _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_