data_AVS_bmrb_pdb_report_10266 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10266 _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 29 TRP Anomalous Consistent Suspicious Anomalous Consistent Consistent "HE1 > HD1" 0.9930 10266 1 1 1 1 29 TRP . . . . . . "HE1 > HZ3" 0.9924 10266 1 1 1 1 44 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 10266 1 1 1 1 89 SER Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10266 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 29 TRP C 172.280 . 176.1 1.89 4.3263e-02 10266 1 1 1 1 29 TRP CA 56.948 . 57.71 2.65 7.7369e-01 10266 1 1 1 1 29 TRP CB 29.667 . 30.16 2.19 8.2189e-01 10266 1 1 1 1 29 TRP CD1 125.062 . 126.16 1.76 5.3272e-01 10266 1 1 1 1 29 TRP CE3 119.532 . 120.38 1.5 5.7185e-01 10266 1 1 1 1 29 TRP CZ2 114.967 . 114.19 1.09 4.7594e-01 10266 1 1 1 1 29 TRP CZ3 120.045 . 121.57 1.76 3.8623e-01 10266 1 1 1 1 29 TRP CH2 123.345 . 123.75 1.34 7.6247e-01 10266 1 1 1 1 29 TRP H 7.581 . 8.35 0.84 3.5994e-01 10266 1 1 1 1 29 TRP HA 4.868 . 4.74 0.55 8.1597e-01 10266 1 1 1 1 29 TRP HB2 3.324 . 3.22 0.36 7.7267e-01 10266 1 1 1 1 29 TRP HB3 3.074 . 3.18 0.36 7.6842e-01 10266 1 1 1 1 29 TRP HD1 6.460 . 7.16 0.34 3.9511e-02 10266 1 1 1 1 29 TRP HE1 5.502 A 10.13 0.53 2.5004e-18 10266 1 1 1 1 29 TRP HE3 6.768 . 7.17 1.03 6.9632e-01 10266 1 1 1 1 29 TRP HZ2 6.908 . 7.14 0.89 7.9434e-01 10266 1 1 1 1 29 TRP HZ3 6.439 . 6.68 1.02 8.1322e-01 10266 1 1 1 1 29 TRP HH2 6.391 . 6.82 0.94 6.4811e-01 10266 1 1 1 1 29 TRP N 115.551 . 121.87 4.58 1.6768e-01 10266 1 1 1 1 29 TRP NE1 123.477 . 129.48 2.56 1.9031e-02 10266 1 1 1 1 44 TYR C 175.735 . 175.39 1.89 8.5516e-01 10266 1 1 1 1 44 TYR CA 57.137 . 58.02 2.64 7.3802e-01 10266 1 1 1 1 44 TYR CB 42.410 . 39.16 2.23 1.4501e-01 10266 1 1 1 1 44 TYR CD1 132.701 . 132.54 1.35 9.0507e-01 10266 1 1 1 1 44 TYR CD2 136.873 A 132.26 1.99 2.0444e-02 10266 1 1 1 1 44 TYR CE1 116.370 . 117.81 2.09 4.9083e-01 10266 1 1 1 1 44 TYR CE2 118.542 . 117.91 2.6 8.0795e-01 10266 1 1 1 1 44 TYR H 9.297 . 8.37 0.75 2.1646e-01 10266 1 1 1 1 44 TYR HA 5.741 . 4.63 0.56 4.7264e-02 10266 1 1 1 1 44 TYR HB2 2.909 . 2.91 0.37 9.9784e-01 10266 1 1 1 1 44 TYR HB3 2.750 . 2.91 0.37 6.6543e-01 10266 1 1 1 1 44 TYR HD1 6.857 . 6.87 0.65 9.8404e-01 10266 1 1 1 1 44 TYR HD2 7.368 . 6.86 0.68 4.5503e-01 10266 1 1 1 1 44 TYR HE1 6.569 . 6.64 0.58 9.0257e-01 10266 1 1 1 1 44 TYR HE2 6.648 . 6.63 0.61 9.7646e-01 10266 1 1 1 1 44 TYR N 116.157 . 120.79 4.69 3.2323e-01 10266 1 1 1 1 89 SER CA 56.522 . 58.57 2.12 3.3403e-01 10266 1 1 1 1 89 SER CB 63.965 . 63.8 1.57 9.1630e-01 10266 1 1 1 1 89 SER H 8.048 . 8.29 0.62 6.9630e-01 10266 1 1 1 1 89 SER HA 3.899 . 4.51 0.43 1.5534e-01 10266 1 1 1 1 89 SER HB2 2.618 S 3.88 0.29 1.3507e-05 10266 1 1 1 1 89 SER HB3 1.340 A 3.87 0.31 3.3146e-16 10266 1 1 1 1 89 SER N 113.549 . 116.3 3.95 4.8614e-01 10266 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 29 TRP TRP 0.98 10266 1 1 1 1 29 TRP HIS 0.01 10266 1 1 1 1 44 TYR TYR 0.79 10266 1 1 1 1 44 TYR GLY 0.2 10266 1 1 1 1 89 SER SER 0.99 10266 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10266 _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 10266 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10266 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10266 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10266 _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_