data_AVS_bmrb_pdb_report_15402 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15402 _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 32 TRP Anomalous Consistent Suspicious Anomalous Consistent Suspicious "HE1 > HD1" 0.9930 15402 1 1 1 1 42 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15402 1 1 1 1 118 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15402 1 1 1 1 119 TRP Anomalous Consistent Consistent Anomalous Anomalous Consistent . . 15402 1 1 1 2 1 CA UNSUPPORTED . . . . . . . 15402 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 32 TRP C 177.190 . 176.1 1.89 5.6413e-01 15402 1 1 1 1 32 TRP CA 61.731 . 57.71 2.65 1.2918e-01 15402 1 1 1 1 32 TRP CB 28.907 . 30.16 2.19 5.6722e-01 15402 1 1 1 1 32 TRP CD1 125.465 . 126.16 1.76 6.9293e-01 15402 1 1 1 1 32 TRP CZ2 114.564 . 114.19 1.09 7.3151e-01 15402 1 1 1 1 32 TRP H 7.165 . 8.35 0.84 1.5833e-01 15402 1 1 1 1 32 TRP HA 4.000 . 4.74 0.55 1.7848e-01 15402 1 1 1 1 32 TRP HB2 3.052 . 3.22 0.36 6.4074e-01 15402 1 1 1 1 32 TRP HB3 3.172 . 3.18 0.36 9.8227e-01 15402 1 1 1 1 32 TRP HD1 6.769 . 7.16 0.34 2.5014e-01 15402 1 1 1 1 32 TRP HE1 5.704 A 10.13 0.53 6.7720e-17 15402 1 1 1 1 32 TRP HZ2 7.457 . 7.14 0.89 7.2171e-01 15402 1 1 1 1 32 TRP N 123.012 . 121.87 4.58 8.0309e-01 15402 1 1 1 1 32 TRP NE1 119.222 S 129.48 2.56 6.1487e-05 15402 1 1 1 1 42 PHE CA 56.624 . 58.25 2.73 5.5144e-01 15402 1 1 1 1 42 PHE CB 39.663 . 39.95 2.04 8.8812e-01 15402 1 1 1 1 42 PHE CD1 134.638 A 131.38 1.38 1.8232e-02 15402 1 1 1 1 42 PHE H 7.666 . 8.42 0.74 3.0824e-01 15402 1 1 1 1 42 PHE HA 4.653 . 4.62 0.58 9.5463e-01 15402 1 1 1 1 42 PHE HB2 3.012 . 2.99 0.37 9.5259e-01 15402 1 1 1 1 42 PHE HB3 2.674 . 2.97 0.38 4.3601e-01 15402 1 1 1 1 42 PHE HD1 7.137 . 6.91 0.82 7.8191e-01 15402 1 1 1 1 42 PHE HE1 6.680 . 6.95 0.82 7.4195e-01 15402 1 1 1 1 42 PHE N 122.975 . 120.69 4.18 5.8462e-01 15402 1 1 1 1 118 TYR C 180.408 A 175.39 1.89 7.9302e-03 15402 1 1 1 1 118 TYR CA 61.614 . 58.02 2.64 1.7340e-01 15402 1 1 1 1 118 TYR CB 38.729 . 39.16 2.23 8.4674e-01 15402 1 1 1 1 118 TYR CD1 133.696 . 132.54 1.35 3.9183e-01 15402 1 1 1 1 118 TYR H 8.447 . 8.37 0.75 9.1823e-01 15402 1 1 1 1 118 TYR HA 4.200 . 4.63 0.56 4.4257e-01 15402 1 1 1 1 118 TYR HB2 3.580 . 2.91 0.37 7.0170e-02 15402 1 1 1 1 118 TYR HB3 3.175 . 2.91 0.37 4.7386e-01 15402 1 1 1 1 118 TYR HD1 7.215 . 6.87 0.65 5.9558e-01 15402 1 1 1 1 118 TYR HE1 7.149 . 6.64 0.58 3.8017e-01 15402 1 1 1 1 118 TYR N 123.412 . 120.79 4.69 5.7612e-01 15402 1 1 1 1 119 TRP C 177.363 . 176.1 1.89 5.0397e-01 15402 1 1 1 1 119 TRP CA 61.103 . 57.71 2.65 2.0041e-01 15402 1 1 1 1 119 TRP CB 28.245 . 30.16 2.19 3.8188e-01 15402 1 1 1 1 119 TRP CD1 130.778 A 126.16 1.76 8.6939e-03 15402 1 1 1 1 119 TRP CZ2 114.666 . 114.19 1.09 6.6233e-01 15402 1 1 1 1 119 TRP H 8.435 . 8.35 0.84 9.1940e-01 15402 1 1 1 1 119 TRP HA 3.837 . 4.74 0.55 1.0063e-01 15402 1 1 1 1 119 TRP HB2 3.477 . 3.22 0.36 4.7530e-01 15402 1 1 1 1 119 TRP HB3 3.532 . 3.18 0.36 3.2818e-01 15402 1 1 1 1 119 TRP HD1 5.790 A 7.16 0.34 5.5917e-05 15402 1 1 1 1 119 TRP HE1 9.607 . 10.13 0.53 3.2374e-01 15402 1 1 1 1 119 TRP HZ2 7.112 . 7.14 0.89 9.7490e-01 15402 1 1 1 1 119 TRP N 123.400 . 121.87 4.58 7.3833e-01 15402 1 1 1 1 119 TRP NE1 132.589 . 129.48 2.56 2.2457e-01 15402 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 32 TRP TRP 0.6 15402 1 1 1 1 32 TRP CYS 0.35 15402 1 1 1 1 32 TRP HIS 0.04 15402 1 1 1 1 42 PHE CYS 0.48 15402 1 1 1 1 42 PHE TYR 0.43 15402 1 1 1 1 42 PHE PHE 0.07 15402 1 1 1 1 118 TYR TYR 0.43 15402 1 1 1 1 118 TYR CYS 0.35 15402 1 1 1 1 118 TYR PHE 0.2 15402 1 1 1 1 119 TRP CYS 0.67 15402 1 1 1 1 119 TRP HIS 0.24 15402 1 1 1 1 119 TRP TRP 0.08 15402 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15402 _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 15402 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15402 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15402 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15402 _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_