data_AVS_bmrb_pdb_report_17584 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17584 _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 1 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17584 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 1 TRP CB 30.0 . 30.16 2.19 9.4176e-01 17584 1 1 1 1 1 TRP CD1 130.0 A 126.16 1.76 2.9123e-02 17584 1 1 1 1 1 TRP CE3 121.6 . 120.38 1.5 4.1603e-01 17584 1 1 1 1 1 TRP CZ2 114.7 . 114.19 1.09 6.3986e-01 17584 1 1 1 1 1 TRP CZ3 122.0 . 121.57 1.76 8.0698e-01 17584 1 1 1 1 1 TRP CH2 124.6 . 123.75 1.34 5.2587e-01 17584 1 1 1 1 1 TRP HB3 3.26 . 3.18 0.36 8.2414e-01 17584 1 1 1 1 1 TRP HD1 7.28 . 7.16 0.34 7.2413e-01 17584 1 1 1 1 1 TRP HE1 10.16 . 10.13 0.53 9.5486e-01 17584 1 1 1 1 1 TRP HE3 7.47 . 7.17 1.03 7.7085e-01 17584 1 1 1 1 1 TRP HZ2 7.45 . 7.14 0.89 7.2760e-01 17584 1 1 1 1 1 TRP HZ3 7.07 . 6.68 1.02 7.0220e-01 17584 1 1 1 1 1 TRP HH2 7.19 . 6.82 0.94 6.9386e-01 17584 1 1 1 1 1 TRP NE1 130.5 . 129.48 2.56 6.9031e-01 17584 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 1 TRP TRP 0.99 17584 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17584 _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 17584 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17584 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17584 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17584 _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_