data_AVS_bmrb_pdb_report_16251 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16251 _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 11 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16251 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 11 TRP C 178.487 . 176.1 1.89 2.0660e-01 16251 1 1 1 1 11 TRP CA 61.256 . 57.71 2.65 1.8086e-01 16251 1 1 1 1 11 TRP CB 27.472 . 30.16 2.19 2.1967e-01 16251 1 1 1 1 11 TRP CD1 126.504 . 126.16 1.76 8.4504e-01 16251 1 1 1 1 11 TRP CE3 120.684 . 120.38 1.5 8.3940e-01 16251 1 1 1 1 11 TRP CZ2 113.440 . 114.19 1.09 4.9141e-01 16251 1 1 1 1 11 TRP CZ3 121.035 . 121.57 1.76 7.6115e-01 16251 1 1 1 1 11 TRP CH2 124.475 . 123.75 1.34 5.8848e-01 16251 1 1 1 1 11 TRP H 8.772 . 8.35 0.84 6.1540e-01 16251 1 1 1 1 11 TRP HA 3.690 . 4.74 0.55 5.6250e-02 16251 1 1 1 1 11 TRP HB2 2.386 . 3.22 0.36 2.0522e-02 16251 1 1 1 1 11 TRP HB3 3.060 . 3.18 0.36 7.3888e-01 16251 1 1 1 1 11 TRP HD1 7.234 . 7.16 0.34 8.2770e-01 16251 1 1 1 1 11 TRP HE1 11.964 A 10.13 0.53 5.3942e-04 16251 1 1 1 1 11 TRP HE3 6.971 . 7.17 1.03 8.4680e-01 16251 1 1 1 1 11 TRP HZ2 7.223 . 7.14 0.89 9.2570e-01 16251 1 1 1 1 11 TRP HZ3 6.651 . 6.68 1.02 9.7732e-01 16251 1 1 1 1 11 TRP HH2 7.409 . 6.82 0.94 5.3092e-01 16251 1 1 1 1 11 TRP N 121.577 . 121.87 4.58 9.4899e-01 16251 1 1 1 1 11 TRP NE1 133.418 . 129.48 2.56 1.2398e-01 16251 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 11 TRP TRP 0.98 16251 1 1 1 1 11 TRP HIS 0.01 16251 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16251 _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 16251 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16251 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16251 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16251 _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_