data_AVS_bmrb_pdb_report_15354 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15354 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15354 1 1 1 1 37 TRP Anomalous Suspicious Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15354 1 1 1 1 37 TRP C 176.502 . 176.1 1.89 8.3156e-01 15354 1 1 1 1 37 TRP CA 58.848 . 57.71 2.65 6.6761e-01 15354 1 1 1 1 37 TRP CB 27.224 . 30.16 2.19 1.8004e-01 15354 1 1 1 1 37 TRP CD1 128.131 . 126.16 1.76 2.6276e-01 15354 1 1 1 1 37 TRP CE3 120.380 . 120.38 1.5 1.0000e+00 15354 1 1 1 1 37 TRP CZ2 114.190 . 114.19 1.09 1.0000e+00 15354 1 1 1 1 37 TRP CZ3 121.570 . 121.57 1.76 1.0000e+00 15354 1 1 1 1 37 TRP CH2 131.243 M 123.75 1.34 2.2474e-08 15354 1 1 1 1 37 TRP H 7.833 . 8.35 0.84 5.3824e-01 15354 1 1 1 1 37 TRP HA 3.934 . 4.74 0.55 1.4280e-01 15354 1 1 1 1 37 TRP HB2 3.197 . 3.22 0.36 9.4906e-01 15354 1 1 1 1 37 TRP HB3 2.895 . 3.18 0.36 4.2856e-01 15354 1 1 1 1 37 TRP HD1 7.894 . 7.16 0.34 3.0864e-02 15354 1 1 1 1 37 TRP HE1 10.239 . 10.13 0.53 8.3706e-01 15354 1 1 1 1 37 TRP HE3 7.172 . 7.17 1.03 9.9845e-01 15354 1 1 1 1 37 TRP HZ2 7.420 . 7.14 0.89 7.5306e-01 15354 1 1 1 1 37 TRP HZ3 6.680 . 6.68 1.02 1.0000e+00 15354 1 1 1 1 37 TRP HH2 7.270 . 6.82 0.94 6.3214e-01 15354 1 1 1 1 37 TRP N 118.718 . 121.87 4.58 4.9132e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 15354 1 1 1 1 37 TRP HIS 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15354 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 15354 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 15354 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15354 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15354 _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_