data_AVS_bmrb_pdb_report_5075 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5075 _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 5075 1 1 1 1 84 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 5075 1 1 1 1 84 TRP C 170.1 M 176.1 1.89 1.5004e-03 5075 1 1 1 1 84 TRP CA 56.3 . 57.71 2.65 5.9467e-01 5075 1 1 1 1 84 TRP CB 34.0 . 30.16 2.19 7.9529e-02 5075 1 1 1 1 84 TRP CD1 128.7 . 126.16 1.76 1.4897e-01 5075 1 1 1 1 84 TRP CZ2 112.8 . 114.19 1.09 2.0223e-01 5075 1 1 1 1 84 TRP H 9.44 . 8.35 0.84 1.9442e-01 5075 1 1 1 1 84 TRP HA 5.29 . 4.74 0.55 3.1731e-01 5075 1 1 1 1 84 TRP HB2 3.55 . 3.22 0.36 3.5932e-01 5075 1 1 1 1 84 TRP HB3 3.27 . 3.18 0.36 8.0259e-01 5075 1 1 1 1 84 TRP HD1 7.57 . 7.16 0.34 2.2786e-01 5075 1 1 1 1 84 TRP HE1 10.41 . 10.13 0.53 5.9729e-01 5075 1 1 1 1 84 TRP HE3 6.98 . 7.17 1.03 8.5365e-01 5075 1 1 1 1 84 TRP HZ2 7.24 . 7.14 0.89 9.1054e-01 5075 1 1 1 1 84 TRP HH2 6.79 . 6.82 0.94 9.7454e-01 5075 1 1 1 1 84 TRP N 126.0 . 121.87 4.58 3.6719e-01 5075 1 1 1 1 84 TRP NE1 129.6 . 129.48 2.56 9.6261e-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 5075 1 1 1 1 84 TRP CYS 0.78 5075 1 1 1 1 84 TRP TRP 0.11 5075 1 1 1 1 84 TRP HIS 0.06 5075 1 1 1 1 84 TRP TYR 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5075 _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 5075 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 5075 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5075 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5075 _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_