data_AVS_bmrb_pdb_report_16549 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16549 _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 18 TRP Anomalous Consistent Consistent Suspicious Anomalous Suspicious . . 16549 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 18 TRP CA 56.244 . 57.71 2.65 5.8012e-01 16549 1 1 1 1 18 TRP CB 23.901 A 30.16 2.19 4.2633e-03 16549 1 1 1 1 18 TRP CD1 124.345 . 126.16 1.76 3.0242e-01 16549 1 1 1 1 18 TRP CZ2 114.033 . 114.19 1.09 8.8547e-01 16549 1 1 1 1 18 TRP CH2 122.970 . 123.75 1.34 5.6051e-01 16549 1 1 1 1 18 TRP H 8.258 . 8.35 0.84 9.1279e-01 16549 1 1 1 1 18 TRP HA 4.304 . 4.74 0.55 4.2794e-01 16549 1 1 1 1 18 TRP HB2 1.506 S 3.22 0.36 1.9253e-06 16549 1 1 1 1 18 TRP HB3 2.398 . 3.18 0.36 2.9839e-02 16549 1 1 1 1 18 TRP HD1 6.978 . 7.16 0.34 5.9245e-01 16549 1 1 1 1 18 TRP HE1 9.881 . 10.13 0.53 6.3849e-01 16549 1 1 1 1 18 TRP HZ2 6.968 . 7.14 0.89 8.4676e-01 16549 1 1 1 1 18 TRP HH2 6.570 . 6.82 0.94 7.9027e-01 16549 1 1 1 1 18 TRP N 120.517 . 121.87 4.58 7.6768e-01 16549 1 1 1 1 18 TRP NE1 108.084 S 129.48 2.56 6.3892e-17 16549 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 18 TRP CYS 0.77 16549 1 1 1 1 18 TRP TRP 0.2 16549 1 1 1 1 18 TRP ALA 0.02 16549 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16549 _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 16549 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16549 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16549 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16549 _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_