data_AVS_bmrb_pdb_report_15608 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15608 _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 15608 1 1 1 1 65 PHE Anomalous Consistent Consistent Anomalous Consistent 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 15608 1 1 1 1 65 PHE C 173.382 . 175.49 2.13 3.2233e-01 15608 1 1 1 1 65 PHE CA 58.410 . 58.25 2.73 9.5326e-01 15608 1 1 1 1 65 PHE CB 39.495 . 39.95 2.04 8.2350e-01 15608 1 1 1 1 65 PHE CD1 131.617 . 131.38 1.38 8.6364e-01 15608 1 1 1 1 65 PHE CE1 130.315 . 130.48 1.29 8.9822e-01 15608 1 1 1 1 65 PHE CZ 128.286 . 129.11 1.68 6.2380e-01 15608 1 1 1 1 65 PHE H 8.657 . 8.42 0.74 7.4876e-01 15608 1 1 1 1 65 PHE HA 4.431 . 4.62 0.58 7.4453e-01 15608 1 1 1 1 65 PHE HB2 2.867 . 2.99 0.37 7.3956e-01 15608 1 1 1 1 65 PHE HB3 4.000 M 2.97 0.38 6.7177e-03 15608 1 1 1 1 65 PHE HD1 7.214 . 6.91 0.82 7.1084e-01 15608 1 1 1 1 65 PHE HD2 7.214 . 6.89 0.86 7.0636e-01 15608 1 1 1 1 65 PHE HE1 6.956 . 6.95 0.82 9.9416e-01 15608 1 1 1 1 65 PHE HE2 6.956 . 6.94 0.86 9.8516e-01 15608 1 1 1 1 65 PHE HZ 5.456 . 6.92 0.8 6.7250e-02 15608 1 1 1 1 65 PHE N 128.274 . 120.69 4.18 6.9623e-02 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 15608 1 1 1 1 65 PHE PHE 0.39 15608 1 1 1 1 65 PHE TYR 0.32 15608 1 1 1 1 65 PHE CYS 0.27 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15608 _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 15608 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 15608 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15608 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15608 _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_