data_AVS_bmrb_pdb_report_16683 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16683 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 83 PHE Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 16683 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 83 PHE C 175.620 . 175.49 2.13 9.5133e-01 16683 1 1 1 1 83 PHE CA 58.428 . 58.25 2.73 9.4801e-01 16683 1 1 1 1 83 PHE CB 41.508 . 39.95 2.04 4.4503e-01 16683 1 1 1 1 83 PHE CD1 131.260 . 131.38 1.38 9.3071e-01 16683 1 1 1 1 83 PHE CD2 131.260 . 131.33 1.48 9.6228e-01 16683 1 1 1 1 83 PHE CE1 137.060 A 130.48 1.29 3.3827e-07 16683 1 1 1 1 83 PHE CE2 137.060 A 130.6 0.97 2.7421e-11 16683 1 1 1 1 83 PHE H 9.345 . 8.42 0.74 2.1130e-01 16683 1 1 1 1 83 PHE HA 4.851 . 4.62 0.58 6.9043e-01 16683 1 1 1 1 83 PHE HB2 2.809 . 2.99 0.37 6.2471e-01 16683 1 1 1 1 83 PHE HB3 3.727 . 2.97 0.38 4.6360e-02 16683 1 1 1 1 83 PHE HD1 7.344 . 6.91 0.82 5.9662e-01 16683 1 1 1 1 83 PHE HD2 7.342 . 6.89 0.86 5.9918e-01 16683 1 1 1 1 83 PHE HE1 7.286 . 6.95 0.82 6.8198e-01 16683 1 1 1 1 83 PHE HE2 7.286 . 6.94 0.86 6.8744e-01 16683 1 1 1 1 83 PHE N 125.501 . 120.69 4.18 2.4975e-01 16683 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 83 PHE CYS 0.88 16683 1 1 1 1 83 PHE TYR 0.1 16683 1 1 1 1 83 PHE GLY 0.01 16683 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16683 _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.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 16683 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16683 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16683 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16683 _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_