data_AVS_bmrb_pdb_report_34334 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34334 _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 Anomalous Consistent Consistent . . 34334 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 C 176.23 . 176.12 2.01 9.5636e-01 34334 1 1 1 1 18 TRP CA 54.50 . 57.66 2.58 2.2065e-01 34334 1 1 1 1 18 TRP CB 35.36 . 30.01 2.01 7.7749e-03 34334 1 1 1 1 18 TRP H 7.32 . 8.29 0.79 2.1950e-01 34334 1 1 1 1 18 TRP HA 6.57 A 4.68 0.53 3.6242e-04 34334 1 1 1 1 18 TRP HB2 3.66 . 3.19 0.35 1.7932e-01 34334 1 1 1 1 18 TRP HB3 3.22 . 3.12 0.36 7.8118e-01 34334 1 1 1 1 18 TRP HD1 7.05 . 7.14 0.36 8.0259e-01 34334 1 1 1 1 18 TRP HE1 10.50 . 10.08 0.66 5.2454e-01 34334 1 1 1 1 18 TRP N 109.29 . 121.68 4.18 3.0355e-03 34334 1 1 1 1 18 TRP NE1 130.09 . 129.32 2.11 7.1516e-01 34334 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 MET 0.29 34334 1 1 1 1 18 TRP GLU 0.22 34334 1 1 1 1 18 TRP GLN 0.14 34334 1 1 1 1 18 TRP LYS 0.12 34334 1 1 1 1 18 TRP ASN 0.08 34334 1 1 1 1 18 TRP TYR 0.04 34334 1 1 1 1 18 TRP PHE 0.02 34334 1 1 1 1 18 TRP HIS 0.02 34334 1 1 1 1 18 TRP ARG 0.01 34334 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34334 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 34334 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34334 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34334 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34334 _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_