data_AVS_bmrb_pdb_report_5093 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5093 _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 5093 1 1 1 1 97 PHE 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 5093 1 1 1 1 97 PHE C 174.4 . 175.49 2.13 6.0883e-01 5093 1 1 1 1 97 PHE CA 57.7 . 58.25 2.73 8.4033e-01 5093 1 1 1 1 97 PHE CB 41.2 . 39.95 2.04 5.4004e-01 5093 1 1 1 1 97 PHE CD1 131.8 . 131.38 1.38 7.6086e-01 5093 1 1 1 1 97 PHE CD2 131.8 . 131.33 1.48 7.5081e-01 5093 1 1 1 1 97 PHE CE1 133.5 M 130.48 1.29 1.9228e-02 5093 1 1 1 1 97 PHE CE2 133.5 M 130.6 0.97 2.7926e-03 5093 1 1 1 1 97 PHE H 8.46 . 8.42 0.74 9.5689e-01 5093 1 1 1 1 97 PHE HA 5.15 . 4.62 0.58 3.6083e-01 5093 1 1 1 1 97 PHE HB2 2.69 . 2.99 0.37 4.1747e-01 5093 1 1 1 1 97 PHE HB3 2.69 . 2.97 0.38 4.6122e-01 5093 1 1 1 1 97 PHE HD1 6.84 . 6.91 0.82 9.3197e-01 5093 1 1 1 1 97 PHE HD2 6.84 . 6.89 0.86 9.5364e-01 5093 1 1 1 1 97 PHE HE1 7.09 . 6.95 0.82 8.6443e-01 5093 1 1 1 1 97 PHE HE2 7.09 . 6.94 0.86 8.6154e-01 5093 1 1 1 1 97 PHE N 123.4 . 120.69 4.18 5.1677e-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 5093 1 1 1 1 97 PHE TYR 0.52 5093 1 1 1 1 97 PHE PHE 0.46 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5093 _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 5093 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 5093 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5093 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5093 _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_