data_AVS_bmrb_pdb_report_16649 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16649 _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 6 TRP Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 16649 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 6 TRP C 177.668 . 176.1 1.89 4.0675e-01 16649 1 1 1 1 6 TRP CA 56.000 . 57.71 2.65 5.1874e-01 16649 1 1 1 1 6 TRP CB 31.077 . 30.16 2.19 6.7542e-01 16649 1 1 1 1 6 TRP CD1 125.216 . 126.16 1.76 5.9171e-01 16649 1 1 1 1 6 TRP CE3 120.401 . 120.38 1.5 9.8883e-01 16649 1 1 1 1 6 TRP CZ2 115.365 . 114.19 1.09 2.8104e-01 16649 1 1 1 1 6 TRP CZ3 121.674 . 121.57 1.76 9.5288e-01 16649 1 1 1 1 6 TRP CH2 121.795 . 123.75 1.34 1.4458e-01 16649 1 1 1 1 6 TRP H 8.882 . 8.35 0.84 5.2652e-01 16649 1 1 1 1 6 TRP HA 5.349 . 4.74 0.55 2.6818e-01 16649 1 1 1 1 6 TRP HB2 3.205 . 3.22 0.36 9.6676e-01 16649 1 1 1 1 6 TRP HB3 3.205 . 3.18 0.36 9.4464e-01 16649 1 1 1 1 6 TRP HD1 7.364 . 7.16 0.34 5.4851e-01 16649 1 1 1 1 6 TRP HE1 12.079 A 10.13 0.53 2.3566e-04 16649 1 1 1 1 6 TRP HE3 7.003 . 7.17 1.03 8.7120e-01 16649 1 1 1 1 6 TRP HZ2 7.788 . 7.14 0.89 4.6656e-01 16649 1 1 1 1 6 TRP HZ3 6.712 . 6.68 1.02 9.7497e-01 16649 1 1 1 1 6 TRP HH2 6.957 . 6.82 0.94 8.8412e-01 16649 1 1 1 1 6 TRP N 124.139 . 121.87 4.58 6.2031e-01 16649 1 1 1 1 6 TRP NE1 137.528 A 129.48 2.56 1.6680e-03 16649 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 6 TRP TRP 0.99 16649 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16649 _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 16649 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16649 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16649 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16649 _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_