data_AVS_bmrb_pdb_report_4248 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4248 _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 10 PHE Anomalous Suspicious Consistent Suspicious Anomalous Consistent . . 4248 1 1 1 1 41 TRP Anomalous Consistent Consistent Anomalous Anomalous Consistent . . 4248 1 1 1 2 1 DC UNSUPPORTED . . . . . . . 4248 1 1 1 2 2 DA UNSUPPORTED . . . . . . . 4248 1 1 1 2 3 DC UNSUPPORTED . . . . . . . 4248 1 1 1 2 4 DC UNSUPPORTED . . . . . . . 4248 1 1 1 2 5 DC UNSUPPORTED . . . . . . . 4248 1 1 1 2 6 DT UNSUPPORTED . . . . . . . 4248 1 1 1 2 7 DT UNSUPPORTED . . . . . . . 4248 1 1 1 2 8 DT UNSUPPORTED . . . . . . . 4248 1 1 1 2 9 DG UNSUPPORTED . . . . . . . 4248 1 1 1 2 10 DA UNSUPPORTED . . . . . . . 4248 1 1 1 2 11 DA UNSUPPORTED . . . . . . . 4248 1 1 1 2 12 DG UNSUPPORTED . . . . . . . 4248 1 1 1 2 13 DC UNSUPPORTED . . . . . . . 4248 1 1 1 2 14 DT UNSUPPORTED . . . . . . . 4248 1 1 1 2 15 DC UNSUPPORTED . . . . . . . 4248 1 1 1 3 1 DG UNSUPPORTED . . . . . . . 4248 1 1 1 3 2 DA UNSUPPORTED . . . . . . . 4248 1 1 1 3 3 DG UNSUPPORTED . . . . . . . 4248 1 1 1 3 4 DC UNSUPPORTED . . . . . . . 4248 1 1 1 3 5 DT UNSUPPORTED . . . . . . . 4248 1 1 1 3 6 DT UNSUPPORTED . . . . . . . 4248 1 1 1 3 7 DC UNSUPPORTED . . . . . . . 4248 1 1 1 3 8 DA UNSUPPORTED . . . . . . . 4248 1 1 1 3 9 DA UNSUPPORTED . . . . . . . 4248 1 1 1 3 10 DA UNSUPPORTED . . . . . . . 4248 1 1 1 3 11 DG UNSUPPORTED . . . . . . . 4248 1 1 1 3 12 DG UNSUPPORTED . . . . . . . 4248 1 1 1 3 13 DG UNSUPPORTED . . . . . . . 4248 1 1 1 3 14 DT UNSUPPORTED . . . . . . . 4248 1 1 1 3 15 DG UNSUPPORTED . . . . . . . 4248 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 10 PHE CA 56.98 . 58.25 2.73 6.4179e-01 4248 1 1 1 1 10 PHE CB 35.99 . 39.95 2.04 5.2237e-02 4248 1 1 1 1 10 PHE CE1 135.60 A 130.48 1.29 7.2177e-05 4248 1 1 1 1 10 PHE H 6.55 . 8.42 0.74 1.1503e-02 4248 1 1 1 1 10 PHE HA 2.74 . 4.62 0.58 1.1895e-03 4248 1 1 1 1 10 PHE HB2 2.22 . 2.99 0.37 3.7427e-02 4248 1 1 1 1 10 PHE HB3 1.46 S 2.97 0.38 7.0769e-05 4248 1 1 1 1 10 PHE HD1 6.96 . 6.91 0.82 9.5138e-01 4248 1 1 1 1 10 PHE HE1 6.39 . 6.95 0.82 4.9465e-01 4248 1 1 1 1 10 PHE HZ 7.261 . 6.92 0.8 6.6993e-01 4248 1 1 1 1 10 PHE N 112.57 . 120.69 4.18 5.2067e-02 4248 1 1 1 1 41 TRP CA 57.39 . 57.71 2.65 9.0389e-01 4248 1 1 1 1 41 TRP CB 27.39 . 30.16 2.19 2.0593e-01 4248 1 1 1 1 41 TRP CD1 123.00 . 126.16 1.76 7.2581e-02 4248 1 1 1 1 41 TRP CE3 119.23 . 120.38 1.5 4.4328e-01 4248 1 1 1 1 41 TRP CZ2 110.56 A 114.19 1.09 8.6760e-04 4248 1 1 1 1 41 TRP CZ3 118.61 . 121.57 1.76 9.2604e-02 4248 1 1 1 1 41 TRP CH2 121.58 . 123.75 1.34 1.0536e-01 4248 1 1 1 1 41 TRP H 8.68 . 8.35 0.84 6.9442e-01 4248 1 1 1 1 41 TRP HA 3.83 . 4.74 0.55 9.8017e-02 4248 1 1 1 1 41 TRP HB2 3.29 . 3.22 0.36 8.4583e-01 4248 1 1 1 1 41 TRP HB3 3.24 . 3.18 0.36 8.6763e-01 4248 1 1 1 1 41 TRP HD1 5.71 A 7.16 0.34 2.0017e-05 4248 1 1 1 1 41 TRP HE1 10.60 . 10.13 0.53 3.7519e-01 4248 1 1 1 1 41 TRP HE3 6.11 . 7.17 1.03 3.0342e-01 4248 1 1 1 1 41 TRP HZ2 7.06 . 7.14 0.89 9.2838e-01 4248 1 1 1 1 41 TRP HZ3 6.40 . 6.68 1.02 7.8369e-01 4248 1 1 1 1 41 TRP HH2 6.72 . 6.82 0.94 9.1528e-01 4248 1 1 1 1 41 TRP N 121.09 . 121.87 4.58 8.6477e-01 4248 1 1 1 1 41 TRP NE1 131.8 . 129.48 2.56 3.6480e-01 4248 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 10 PHE CYS 0.77 4248 1 1 1 1 10 PHE TYR 0.14 4248 1 1 1 1 10 PHE TRP 0.04 4248 1 1 1 1 10 PHE HIS 0.03 4248 1 1 1 1 41 TRP CYS 0.99 4248 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4248 _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 4248 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4248 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4248 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4248 _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_