data_AVS_bmrb_pdb_report_15569 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15569 _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 15569 1 1 1 1 19 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 15569 1 1 1 1 19 PHE C 177.72 . 175.49 2.13 2.9512e-01 15569 1 1 1 1 19 PHE CA 57.83 . 58.25 2.73 8.7773e-01 15569 1 1 1 1 19 PHE CB 37.52 . 39.95 2.04 2.3358e-01 15569 1 1 1 1 19 PHE CG 140.50 M 138.35 1.12 5.4903e-02 15569 1 1 1 1 19 PHE CD1 131.63 . 131.38 1.38 8.5624e-01 15569 1 1 1 1 19 PHE CE1 131.10 . 130.48 1.29 6.3079e-01 15569 1 1 1 1 19 PHE CZ 127.99 . 129.11 1.68 5.0499e-01 15569 1 1 1 1 19 PHE H 7.54 . 8.42 0.74 2.3437e-01 15569 1 1 1 1 19 PHE HA 4.84 . 4.62 0.58 7.0446e-01 15569 1 1 1 1 19 PHE HB2 2.43 . 2.99 0.37 1.3015e-01 15569 1 1 1 1 19 PHE HB3 3.71 . 2.97 0.38 5.1491e-02 15569 1 1 1 1 19 PHE HD1 7.20 . 6.91 0.82 7.2359e-01 15569 1 1 1 1 19 PHE HE1 6.71 . 6.95 0.82 7.6976e-01 15569 1 1 1 1 19 PHE HZ 6.43 . 6.92 0.8 5.4021e-01 15569 1 1 1 1 19 PHE N 114.52 . 120.69 4.18 1.3992e-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 15569 1 1 1 1 19 PHE PHE 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15569 _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 15569 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 15569 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15569 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15569 _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_