data_AVS_bmrb_pdb_report_6960 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6960 _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 6960 1 1 1 1 89 TRP Anomalous Consistent Consistent Anomalous Consistent 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 6960 1 1 1 1 89 TRP CA 58.613 . 57.71 2.65 7.3329e-01 6960 1 1 1 1 89 TRP CB 28.207 . 30.16 2.19 3.7251e-01 6960 1 1 1 1 89 TRP CD1 120.771 . 126.16 1.76 2.1991e-03 6960 1 1 1 1 89 TRP CE3 118.749 . 120.38 1.5 2.7689e-01 6960 1 1 1 1 89 TRP CZ2 111.606 . 114.19 1.09 1.7757e-02 6960 1 1 1 1 89 TRP CZ3 119.558 . 121.57 1.76 2.5296e-01 6960 1 1 1 1 89 TRP CH2 121.390 . 123.75 1.34 7.8206e-02 6960 1 1 1 1 89 TRP H 8.668 . 8.35 0.84 7.0501e-01 6960 1 1 1 1 89 TRP HA 4.808 . 4.74 0.55 9.0160e-01 6960 1 1 1 1 89 TRP HB2 3.319 . 3.22 0.36 7.8332e-01 6960 1 1 1 1 89 TRP HB3 3.121 . 3.18 0.36 8.6982e-01 6960 1 1 1 1 89 TRP HD1 4.993 M 7.16 0.34 1.8473e-10 6960 1 1 1 1 89 TRP HE1 8.859 . 10.13 0.53 1.6480e-02 6960 1 1 1 1 89 TRP HE3 7.612 . 7.17 1.03 6.6783e-01 6960 1 1 1 1 89 TRP HZ2 6.962 . 7.14 0.89 8.4148e-01 6960 1 1 1 1 89 TRP HZ3 7.250 . 6.68 1.02 5.7628e-01 6960 1 1 1 1 89 TRP HH2 6.958 . 6.82 0.94 8.8328e-01 6960 1 1 1 1 89 TRP N 119.917 . 121.87 4.58 6.6980e-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 6960 1 1 1 1 89 TRP CYS 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6960 _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 6960 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 6960 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6960 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6960 _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_