data_AVS_bmrb_pdb_report_30296 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 30296 _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 9 TRP Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB3" 0.9964 30296 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 9 TRP C 175.957 . 176.12 2.01 9.3537e-01 30296 1 1 1 1 9 TRP CA 60.992 . 57.66 2.58 1.9654e-01 30296 1 1 1 1 9 TRP CB 27.289 . 30.01 2.01 1.7582e-01 30296 1 1 1 1 9 TRP H 8.082 . 8.29 0.79 7.9233e-01 30296 1 1 1 1 9 TRP HA 2.043 A 4.68 0.53 6.5089e-07 30296 1 1 1 1 9 TRP HB2 1.616 S 3.19 0.35 6.8873e-06 30296 1 1 1 1 9 TRP HB3 2.532 . 3.12 0.36 1.0240e-01 30296 1 1 1 1 9 TRP HD1 6.233 . 7.14 0.36 1.1754e-02 30296 1 1 1 1 9 TRP HE1 9.690 . 10.08 0.66 5.5458e-01 30296 1 1 1 1 9 TRP HE3 6.781 . 7.31 0.41 1.9697e-01 30296 1 1 1 1 9 TRP HZ2 7.282 . 7.28 0.33 9.9516e-01 30296 1 1 1 1 9 TRP HZ3 6.814 . 6.86 0.4 9.0845e-01 30296 1 1 1 1 9 TRP HH2 7.151 . 6.98 0.39 6.6105e-01 30296 1 1 1 1 9 TRP N 123.560 . 121.68 4.18 6.5288e-01 30296 1 1 1 1 9 TRP NE1 129.541 . 129.32 2.11 9.1658e-01 30296 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 9 TRP ILE 0.51 30296 1 1 1 1 9 TRP PRO 0.16 30296 1 1 1 1 9 TRP ARG 0.1 30296 1 1 1 1 9 TRP TRP 0.09 30296 1 1 1 1 9 TRP GLU 0.03 30296 1 1 1 1 9 TRP LYS 0.03 30296 1 1 1 1 9 TRP HIS 0.03 30296 1 1 1 1 9 TRP LEU 0.02 30296 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 30296 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 30296 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 30296 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 30296 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 30296 _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_