data_AVS_bmrb_pdb_report_7257 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7257 _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 7257 1 1 1 1 31 TRP Anomalous Consistent 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 7257 1 1 1 1 31 TRP C 173.804 . 176.1 1.89 2.2444e-01 7257 1 1 1 1 31 TRP CA 57.541 . 57.71 2.65 9.4915e-01 7257 1 1 1 1 31 TRP CB 31.950 . 30.16 2.19 4.1373e-01 7257 1 1 1 1 31 TRP CD1 130.010 M 126.16 1.76 2.8706e-02 7257 1 1 1 1 31 TRP CE3 119.520 . 120.38 1.5 5.6642e-01 7257 1 1 1 1 31 TRP CZ2 114.610 . 114.19 1.09 7.0000e-01 7257 1 1 1 1 31 TRP CZ3 118.700 . 121.57 1.76 1.0296e-01 7257 1 1 1 1 31 TRP CH2 120.130 . 123.75 1.34 6.9029e-03 7257 1 1 1 1 31 TRP H 8.943 . 8.35 0.84 4.8022e-01 7257 1 1 1 1 31 TRP HA 4.647 . 4.74 0.55 8.6573e-01 7257 1 1 1 1 31 TRP HB2 2.806 . 3.22 0.36 2.5014e-01 7257 1 1 1 1 31 TRP HB3 2.717 . 3.18 0.36 1.9840e-01 7257 1 1 1 1 31 TRP HD1 7.370 . 7.16 0.34 5.3681e-01 7257 1 1 1 1 31 TRP HE1 10.145 . 10.13 0.53 9.7742e-01 7257 1 1 1 1 31 TRP HE3 7.070 . 7.17 1.03 9.2266e-01 7257 1 1 1 1 31 TRP HZ2 7.480 . 7.14 0.89 7.0244e-01 7257 1 1 1 1 31 TRP HZ3 6.870 . 6.68 1.02 8.5223e-01 7257 1 1 1 1 31 TRP HH2 7.200 . 6.82 0.94 6.8602e-01 7257 1 1 1 1 31 TRP N 129.172 . 121.87 4.58 1.1086e-01 7257 1 1 1 1 31 TRP NE1 129.930 . 129.48 2.56 8.6047e-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 7257 1 1 1 1 31 TRP CYS 0.96 7257 1 1 1 1 31 TRP HIS 0.01 7257 1 1 1 1 31 TRP TRP 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7257 _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 7257 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 7257 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7257 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7257 _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_