data_AVS_bmrb_pdb_report_15314 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15314 _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 35 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 15314 1 1 1 1 65 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15314 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 35 TRP C 171.862 . 176.1 1.89 2.4940e-02 15314 1 1 1 1 35 TRP CA 56.72 . 57.71 2.65 7.0871e-01 15314 1 1 1 1 35 TRP CB 28.638 . 30.16 2.19 4.8707e-01 15314 1 1 1 1 35 TRP CE3 119.309 . 120.38 1.5 4.7523e-01 15314 1 1 1 1 35 TRP CZ2 115.072 . 114.19 1.09 4.1842e-01 15314 1 1 1 1 35 TRP CZ3 129.419 S 121.57 1.76 8.2090e-06 15314 1 1 1 1 35 TRP CH2 130.34 A 123.75 1.34 8.7473e-07 15314 1 1 1 1 35 TRP H 7.912 . 8.35 0.84 6.0207e-01 15314 1 1 1 1 35 TRP HA 4.687 . 4.74 0.55 9.2323e-01 15314 1 1 1 1 35 TRP HB2 3.243 . 3.22 0.36 9.4906e-01 15314 1 1 1 1 35 TRP HB3 3.243 . 3.18 0.36 8.6108e-01 15314 1 1 1 1 35 TRP HE1 9.979 . 10.13 0.53 7.7572e-01 15314 1 1 1 1 35 TRP HE3 7.41 . 7.17 1.03 8.1575e-01 15314 1 1 1 1 35 TRP HZ2 7.201 . 7.14 0.89 9.4536e-01 15314 1 1 1 1 35 TRP HZ3 6.046 . 6.68 1.02 5.3423e-01 15314 1 1 1 1 35 TRP HH2 6.774 . 6.82 0.94 9.6097e-01 15314 1 1 1 1 35 TRP N 122.844 . 121.87 4.58 8.3159e-01 15314 1 1 1 1 35 TRP NE1 131.265 . 129.48 2.56 4.8564e-01 15314 1 1 1 1 65 TRP C 181.255 A 176.1 1.89 6.3814e-03 15314 1 1 1 1 65 TRP CA 61.458 . 57.71 2.65 1.5726e-01 15314 1 1 1 1 65 TRP CB 27.748 . 30.16 2.19 2.7074e-01 15314 1 1 1 1 65 TRP CZ2 113.105 . 114.19 1.09 3.1954e-01 15314 1 1 1 1 65 TRP CH2 118.871 A 123.75 1.34 2.7153e-04 15314 1 1 1 1 65 TRP H 8.049 . 8.35 0.84 7.2009e-01 15314 1 1 1 1 65 TRP HA 4.294 . 4.74 0.55 4.1742e-01 15314 1 1 1 1 65 TRP HB2 3.626 . 3.22 0.36 2.5941e-01 15314 1 1 1 1 65 TRP HB3 3.626 . 3.18 0.36 2.1539e-01 15314 1 1 1 1 65 TRP HE1 10.312 . 10.13 0.53 7.3130e-01 15314 1 1 1 1 65 TRP HZ2 7.101 . 7.14 0.89 9.6505e-01 15314 1 1 1 1 65 TRP HH2 6.612 . 6.82 0.94 8.2488e-01 15314 1 1 1 1 65 TRP N 121.372 . 121.87 4.58 9.1341e-01 15314 1 1 1 1 65 TRP NE1 130.602 . 129.48 2.56 6.6118e-01 15314 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 35 TRP HIS 0.99 15314 1 1 1 1 65 TRP TRP 0.86 15314 1 1 1 1 65 TRP HIS 0.13 15314 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15314 _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 15314 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15314 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15314 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15314 _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_