data_AVS_bmrb_pdb_report_5874 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5874 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5874 1 1 1 1 32 TRP Anomalous Consistent Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5874 1 1 1 1 32 TRP C 174.354 . 176.1 1.89 3.5559e-01 5874 1 1 1 1 32 TRP CA 59.322 . 57.71 2.65 5.4299e-01 5874 1 1 1 1 32 TRP CB 23.632 M 30.16 2.19 2.8748e-03 5874 1 1 1 1 32 TRP H 8.813 . 8.35 0.84 5.8150e-01 5874 1 1 1 1 32 TRP HA 3.574 . 4.74 0.55 3.4006e-02 5874 1 1 1 1 32 TRP HB2 3.108 . 3.22 0.36 7.5572e-01 5874 1 1 1 1 32 TRP HB3 3.267 . 3.18 0.36 8.0904e-01 5874 1 1 1 1 32 TRP HD1 7.055 . 7.16 0.34 7.5746e-01 5874 1 1 1 1 32 TRP HE1 10.236 . 10.13 0.53 8.4148e-01 5874 1 1 1 1 32 TRP HE3 7.415 . 7.17 1.03 8.1199e-01 5874 1 1 1 1 32 TRP HZ2 6.961 . 7.14 0.89 8.4060e-01 5874 1 1 1 1 32 TRP HH2 7.164 . 6.82 0.94 7.1440e-01 5874 1 1 1 1 32 TRP N 110.670 . 121.87 4.58 1.4469e-02 5874 1 1 1 1 32 TRP NE1 129.799 . 129.48 2.56 9.0083e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5874 1 1 1 1 32 TRP LYS 0.25 5874 1 1 1 1 32 TRP VAL 0.18 5874 1 1 1 1 32 TRP LEU 0.18 5874 1 1 1 1 32 TRP THR 0.12 5874 1 1 1 1 32 TRP ILE 0.12 5874 1 1 1 1 32 TRP MET 0.05 5874 1 1 1 1 32 TRP ARG 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5874 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 5874 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 5874 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5874 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5874 _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_