data_AVS_bmrb_pdb_report_11288 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11288 _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 38 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11288 1 1 1 1 57 GLU Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB2" 0.9998 11288 1 1 1 1 57 GLU . . . . . . "HA > HB3" 1.0000 11288 1 1 1 1 57 GLU . . . . . . "HA > HG2" 1.0000 11288 1 1 1 1 57 GLU . . . . . . "HA > HG3" 1.0000 11288 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 38 TRP C 172.902 . 176.1 1.89 9.0634e-02 11288 1 1 1 1 38 TRP CA 56.129 . 57.71 2.65 5.5077e-01 11288 1 1 1 1 38 TRP CB 30.602 . 30.16 2.19 8.4005e-01 11288 1 1 1 1 38 TRP CD1 125.023 . 126.16 1.76 5.1826e-01 11288 1 1 1 1 38 TRP CE3 118.221 . 120.38 1.5 1.5006e-01 11288 1 1 1 1 38 TRP CZ2 115.299 . 114.19 1.09 3.0895e-01 11288 1 1 1 1 38 TRP CZ3 121.428 . 121.57 1.76 9.3570e-01 11288 1 1 1 1 38 TRP CH2 123.316 . 123.75 1.34 7.4603e-01 11288 1 1 1 1 38 TRP H 7.975 . 8.35 0.84 6.5529e-01 11288 1 1 1 1 38 TRP HA 5.141 . 4.74 0.55 4.6595e-01 11288 1 1 1 1 38 TRP HB2 3.241 . 3.22 0.36 9.5348e-01 11288 1 1 1 1 38 TRP HB3 3.001 . 3.18 0.36 6.1903e-01 11288 1 1 1 1 38 TRP HD1 5.770 A 7.16 0.34 4.3467e-05 11288 1 1 1 1 38 TRP HE1 6.874 S 10.13 0.53 8.0775e-10 11288 1 1 1 1 38 TRP HE3 6.774 . 7.17 1.03 7.0063e-01 11288 1 1 1 1 38 TRP HZ2 7.296 . 7.14 0.89 8.6086e-01 11288 1 1 1 1 38 TRP HZ3 6.534 . 6.68 1.02 8.8618e-01 11288 1 1 1 1 38 TRP HH2 6.439 . 6.82 0.94 6.8524e-01 11288 1 1 1 1 38 TRP N 119.728 . 121.87 4.58 6.4001e-01 11288 1 1 1 1 38 TRP NE1 126.965 . 129.48 2.56 3.2589e-01 11288 1 1 1 1 57 GLU C 175.051 . 176.93 2.11 3.7319e-01 11288 1 1 1 1 57 GLU CA 55.763 . 57.42 2.19 4.4928e-01 11288 1 1 1 1 57 GLU CB 28.593 . 30.07 1.84 4.2214e-01 11288 1 1 1 1 57 GLU CG 37.121 . 36.01 1.51 4.6188e-01 11288 1 1 1 1 57 GLU H 5.614 S 8.34 0.61 7.8640e-06 11288 1 1 1 1 57 GLU HA 0.433 A 4.26 0.43 5.5847e-19 11288 1 1 1 1 57 GLU HB2 1.734 . 2.04 0.22 1.6425e-01 11288 1 1 1 1 57 GLU HB3 1.601 . 2.04 0.23 5.6301e-02 11288 1 1 1 1 57 GLU HG2 1.380 S 2.31 0.21 9.4859e-06 11288 1 1 1 1 57 GLU HG3 1.157 S 2.31 0.21 4.0085e-08 11288 1 1 1 1 57 GLU N 110.175 . 120.68 3.68 4.3088e-03 11288 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 38 TRP TRP 0.53 11288 1 1 1 1 38 TRP CYS 0.46 11288 1 1 1 1 57 GLU CYS 0.44 11288 1 1 1 1 57 GLU GLU 0.34 11288 1 1 1 1 57 GLU ILE 0.09 11288 1 1 1 1 57 GLU LYS 0.07 11288 1 1 1 1 57 GLU MET 0.01 11288 1 1 1 1 57 GLU GLN 0.01 11288 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11288 _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 11288 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11288 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11288 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11288 _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_