data_AVS_bmrb_pdb_report_16687 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16687 _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 55 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 16687 1 1 1 2 1 VAL UNSUPPORTED . . . . . . . 16687 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 55 TRP C 175.43 . 176.1 1.89 7.2297e-01 16687 1 1 1 1 55 TRP CA 57.81 . 57.71 2.65 9.6990e-01 16687 1 1 1 1 55 TRP CB 32.61 . 30.16 2.19 2.6326e-01 16687 1 1 1 1 55 TRP CD1 127 . 126.16 1.76 6.3317e-01 16687 1 1 1 1 55 TRP CZ2 114.41 . 114.19 1.09 8.4005e-01 16687 1 1 1 1 55 TRP CZ3 124.34 . 121.57 1.76 1.1552e-01 16687 1 1 1 1 55 TRP CH2 118.68 A 123.75 1.34 1.5459e-04 16687 1 1 1 1 55 TRP H 9.992 . 8.35 0.84 5.0611e-02 16687 1 1 1 1 55 TRP HA 5.534 . 4.74 0.55 1.4884e-01 16687 1 1 1 1 55 TRP HB2 3.249 . 3.22 0.36 9.3580e-01 16687 1 1 1 1 55 TRP HB3 2.961 . 3.18 0.36 5.4297e-01 16687 1 1 1 1 55 TRP HD1 6.896 . 7.16 0.34 4.3747e-01 16687 1 1 1 1 55 TRP HE1 9.927 . 10.13 0.53 7.0171e-01 16687 1 1 1 1 55 TRP HZ2 6.99 . 7.14 0.89 8.6616e-01 16687 1 1 1 1 55 TRP HZ3 6.696 . 6.68 1.02 9.8748e-01 16687 1 1 1 1 55 TRP HH2 6.756 . 6.82 0.94 9.4572e-01 16687 1 1 1 1 55 TRP N 128.04 . 121.87 4.58 1.7793e-01 16687 1 1 1 1 55 TRP NE1 128.46 . 129.48 2.56 6.9031e-01 16687 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 55 TRP CYS 0.95 16687 1 1 1 1 55 TRP HIS 0.03 16687 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16687 _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 16687 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16687 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16687 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16687 _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_