data_AVS_bmrb_pdb_report_15504 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15504 _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 27 TRP Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE1 > HA" 1.0000 15504 1 1 1 1 27 TRP . . . . . . "HE1 > HD1" 0.9930 15504 1 1 1 1 27 TRP . . . . . . "HE1 > HZ3" 0.9924 15504 1 1 1 2 18 TYR UNSUPPORTED . . . . . . .15504 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 27 TRP C 175.74 . 176.1 1.89 8.4894e-01 15504 1 1 1 1 27 TRP CA 54.51 . 57.71 2.65 2.2722e-01 15504 1 1 1 1 27 TRP CB 31.71 . 30.16 2.19 4.7909e-01 15504 1 1 1 1 27 TRP CD1 124.96 . 126.16 1.76 4.9535e-01 15504 1 1 1 1 27 TRP CE3 120.35 . 120.38 1.5 9.8404e-01 15504 1 1 1 1 27 TRP CZ2 112.43 . 114.19 1.09 1.0638e-01 15504 1 1 1 1 27 TRP CZ3 119.29 . 121.57 1.76 1.9516e-01 15504 1 1 1 1 27 TRP CH2 122.31 . 123.75 1.34 2.8254e-01 15504 1 1 1 1 27 TRP H 9.23 . 8.35 0.84 2.9481e-01 15504 1 1 1 1 27 TRP HA 5.57 . 4.74 0.55 1.3128e-01 15504 1 1 1 1 27 TRP HB2 2.94 . 3.22 0.36 4.3670e-01 15504 1 1 1 1 27 TRP HB3 2.83 . 3.18 0.36 3.3094e-01 15504 1 1 1 1 27 TRP HD1 6.11 . 7.16 0.34 2.0135e-03 15504 1 1 1 1 27 TRP HE1 5.53 A 10.13 0.53 3.9840e-18 15504 1 1 1 1 27 TRP HE3 7.10 . 7.17 1.03 9.4582e-01 15504 1 1 1 1 27 TRP HZ2 6.59 . 7.14 0.89 5.3659e-01 15504 1 1 1 1 27 TRP HZ3 6.52 . 6.68 1.02 8.7535e-01 15504 1 1 1 1 27 TRP HH2 6.78 . 6.82 0.94 9.6606e-01 15504 1 1 1 1 27 TRP N 122.65 . 121.87 4.58 8.6477e-01 15504 1 1 1 1 27 TRP NE1 125.09 . 129.48 2.56 8.6374e-02 15504 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 27 TRP CYS 0.71 15504 1 1 1 1 27 TRP TRP 0.27 15504 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15504 _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 15504 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15504 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15504 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15504 _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_