data_AVS_bmrb_pdb_report_11093 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11093 _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 20 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11093 1 1 1 1 37 GLY Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11093 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 11093 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 20 TRP CA 57.208 . 57.71 2.65 8.4975e-01 11093 1 1 1 1 20 TRP CB 27.879 . 30.16 2.19 2.9762e-01 11093 1 1 1 1 20 TRP H 8.291 . 8.35 0.84 9.4400e-01 11093 1 1 1 1 20 TRP HA 3.997 . 4.74 0.55 1.7672e-01 11093 1 1 1 1 20 TRP HB2 2.474 . 3.22 0.36 3.8245e-02 11093 1 1 1 1 20 TRP HB3 0.314 A 3.18 0.36 1.7050e-15 11093 1 1 1 1 20 TRP N 125.105 . 121.87 4.58 4.7998e-01 11093 1 1 1 1 37 GLY C 170.307 . 174.04 1.94 5.4326e-02 11093 1 1 1 1 37 GLY CA 45.220 . 45.33 1.42 9.3825e-01 11093 1 1 1 1 37 GLY H 8.255 . 8.34 0.74 9.0855e-01 11093 1 1 1 1 37 GLY HA2 2.438 S 3.95 0.4 1.5683e-04 11093 1 1 1 1 37 GLY HA3 1.009 A 3.93 0.4 2.8247e-13 11093 1 1 1 1 37 GLY N 108.907 . 109.91 4.29 8.1514e-01 11093 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 20 TRP ARG 0.17 11093 1 1 1 1 20 TRP LYS 0.14 11093 1 1 1 1 20 TRP GLN 0.14 11093 1 1 1 1 20 TRP CYS 0.11 11093 1 1 1 1 20 TRP HIS 0.1 11093 1 1 1 1 20 TRP TRP 0.1 11093 1 1 1 1 20 TRP LEU 0.09 11093 1 1 1 1 20 TRP GLU 0.08 11093 1 1 1 1 20 TRP MET 0.01 11093 1 1 1 1 37 GLY GLY 0.75 11093 1 1 1 1 37 GLY LEU 0.1 11093 1 1 1 1 37 GLY CYS 0.08 11093 1 1 1 1 37 GLY ARG 0.04 11093 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11093 _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 11093 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11093 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11093 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11093 _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_