data_AVS_bmrb_pdb_report_5065 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5065 _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 5065 1 1 1 1 59 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 5065 1 1 1 1 59 TRP C 177.20 . 176.1 1.89 5.6056e-01 5065 1 1 1 1 59 TRP CA 54.89 . 57.71 2.65 2.8726e-01 5065 1 1 1 1 59 TRP CB 31.96 . 30.16 2.19 4.1112e-01 5065 1 1 1 1 59 TRP CD1 130.43 M 126.16 1.76 1.5261e-02 5065 1 1 1 1 59 TRP CE3 119.67 . 120.38 1.5 6.3598e-01 5065 1 1 1 1 59 TRP CZ2 113.81 . 114.19 1.09 7.2737e-01 5065 1 1 1 1 59 TRP CZ3 121.86 . 121.57 1.76 8.6912e-01 5065 1 1 1 1 59 TRP CH2 124.56 . 123.75 1.34 5.4553e-01 5065 1 1 1 1 59 TRP H 8.75 . 8.35 0.84 6.3394e-01 5065 1 1 1 1 59 TRP HA 5.41 . 4.74 0.55 2.2315e-01 5065 1 1 1 1 59 TRP HB2 3.32 . 3.22 0.36 7.8118e-01 5065 1 1 1 1 59 TRP HB3 2.55 . 3.18 0.36 8.0118e-02 5065 1 1 1 1 59 TRP HD1 7.30 . 7.16 0.34 6.8051e-01 5065 1 1 1 1 59 TRP HE1 10.17 . 10.13 0.53 9.3984e-01 5065 1 1 1 1 59 TRP HE3 7.46 . 7.17 1.03 7.7829e-01 5065 1 1 1 1 59 TRP HZ2 7.10 . 7.14 0.89 9.6415e-01 5065 1 1 1 1 59 TRP HZ3 7.01 . 6.68 1.02 7.4629e-01 5065 1 1 1 1 59 TRP HH2 7.26 . 6.82 0.94 6.3972e-01 5065 1 1 1 1 59 TRP N 119.21 . 121.87 4.58 5.6138e-01 5065 1 1 1 1 59 TRP NE1 131.22 . 129.48 2.56 4.9670e-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 5065 1 1 1 1 59 TRP CYS 0.62 5065 1 1 1 1 59 TRP TRP 0.19 5065 1 1 1 1 59 TRP HIS 0.17 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5065 _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 5065 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 5065 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5065 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5065 _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_