data_AVS_bmrb_pdb_report_16907 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16907 _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 21 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16907 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 21 TRP C 177.123 . 176.1 1.89 5.8832e-01 16907 1 1 1 1 21 TRP CA 59.817 . 57.71 2.65 4.2656e-01 16907 1 1 1 1 21 TRP CB 29.747 . 30.16 2.19 8.5042e-01 16907 1 1 1 1 21 TRP H 8.587 . 8.35 0.84 7.7783e-01 16907 1 1 1 1 21 TRP HA 4.465 . 4.74 0.55 6.1707e-01 16907 1 1 1 1 21 TRP HB2 3.304 . 3.22 0.36 8.1550e-01 16907 1 1 1 1 21 TRP HB3 3.138 . 3.18 0.36 9.0712e-01 16907 1 1 1 1 21 TRP HD1 5.472 A 7.16 0.34 6.8805e-07 16907 1 1 1 1 21 TRP HE1 10.374 . 10.13 0.53 6.4525e-01 16907 1 1 1 1 21 TRP HE3 7.168 . 7.17 1.03 9.9845e-01 16907 1 1 1 1 21 TRP HZ2 7.407 . 7.14 0.89 7.6418e-01 16907 1 1 1 1 21 TRP HZ3 6.721 . 6.68 1.02 9.6794e-01 16907 1 1 1 1 21 TRP HH2 6.988 . 6.82 0.94 8.5815e-01 16907 1 1 1 1 21 TRP N 123.763 . 121.87 4.58 6.7937e-01 16907 1 1 1 1 21 TRP NE1 129.889 . 129.48 2.56 8.7307e-01 16907 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 21 TRP TRP 0.31 16907 1 1 1 1 21 TRP ILE 0.24 16907 1 1 1 1 21 TRP GLU 0.24 16907 1 1 1 1 21 TRP LYS 0.14 16907 1 1 1 1 21 TRP MET 0.04 16907 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16907 _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 16907 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16907 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16907 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16907 _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_