data_AVS_bmrb_pdb_report_11143 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11143 _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 17 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11143 1 1 1 1 25 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11143 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 17 TRP C 176.325 . 176.1 1.89 9.0524e-01 11143 1 1 1 1 17 TRP CA 60.719 . 57.71 2.65 2.5618e-01 11143 1 1 1 1 17 TRP CB 26.265 . 30.16 2.19 7.5316e-02 11143 1 1 1 1 17 TRP CD1 125.334 . 126.16 1.76 6.3884e-01 11143 1 1 1 1 17 TRP CE3 119.639 . 120.38 1.5 6.2131e-01 11143 1 1 1 1 17 TRP CZ2 112.772 . 114.19 1.09 1.9329e-01 11143 1 1 1 1 17 TRP CZ3 121.261 . 121.57 1.76 8.6063e-01 11143 1 1 1 1 17 TRP CH2 118.758 A 123.75 1.34 1.9503e-04 11143 1 1 1 1 17 TRP H 8.152 . 8.35 0.84 8.1365e-01 11143 1 1 1 1 17 TRP HA 4.270 . 4.74 0.55 3.9280e-01 11143 1 1 1 1 17 TRP HB2 3.527 . 3.22 0.36 3.9378e-01 11143 1 1 1 1 17 TRP HB3 3.349 . 3.18 0.36 6.3875e-01 11143 1 1 1 1 17 TRP HD1 7.573 . 7.16 0.34 2.2448e-01 11143 1 1 1 1 17 TRP HE1 10.246 . 10.13 0.53 8.2675e-01 11143 1 1 1 1 17 TRP HE3 7.935 . 7.17 1.03 4.5765e-01 11143 1 1 1 1 17 TRP HZ2 7.220 . 7.14 0.89 9.2838e-01 11143 1 1 1 1 17 TRP HZ3 6.940 . 6.68 1.02 7.9880e-01 11143 1 1 1 1 17 TRP HH2 6.944 . 6.82 0.94 8.9505e-01 11143 1 1 1 1 17 TRP N 122.802 . 121.87 4.58 8.3875e-01 11143 1 1 1 1 17 TRP NE1 130.303 . 129.48 2.56 7.4784e-01 11143 1 1 1 1 25 TYR C 173.775 . 175.39 1.89 3.9283e-01 11143 1 1 1 1 25 TYR CA 56.691 . 58.02 2.64 6.1468e-01 11143 1 1 1 1 25 TYR CB 34.740 . 39.16 2.23 4.7472e-02 11143 1 1 1 1 25 TYR CD1 129.866 . 132.54 1.35 4.7620e-02 11143 1 1 1 1 25 TYR CD2 129.866 . 132.26 1.99 2.2897e-01 11143 1 1 1 1 25 TYR CE1 114.961 . 117.81 2.09 1.7283e-01 11143 1 1 1 1 25 TYR CE2 114.961 A 117.91 2.6 2.5670e-01 11143 1 1 1 1 25 TYR H 7.520 . 8.37 0.75 2.5707e-01 11143 1 1 1 1 25 TYR HA 3.821 . 4.63 0.56 1.4856e-01 11143 1 1 1 1 25 TYR HB2 2.493 . 2.91 0.37 2.5973e-01 11143 1 1 1 1 25 TYR HB3 1.970 . 2.91 0.37 1.1068e-02 11143 1 1 1 1 25 TYR HD1 5.599 . 6.87 0.65 5.0538e-02 11143 1 1 1 1 25 TYR HD2 5.599 . 6.86 0.68 6.3680e-02 11143 1 1 1 1 25 TYR HE1 6.204 . 6.64 0.58 4.5222e-01 11143 1 1 1 1 25 TYR HE2 6.204 . 6.63 0.61 4.8495e-01 11143 1 1 1 1 25 TYR N 120.231 . 120.79 4.69 9.0513e-01 11143 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 17 TRP CYS 0.99 11143 1 1 1 1 25 TYR CYS 0.87 11143 1 1 1 1 25 TYR HIS 0.06 11143 1 1 1 1 25 TYR TYR 0.03 11143 1 1 1 1 25 TYR TRP 0.02 11143 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11143 _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 11143 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11143 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11143 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11143 _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_