data_AVS_bmrb_pdb_report_15032 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15032 _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 15032 1 1 1 1 128 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 15032 1 1 1 1 128 PHE C 173.7 . 175.49 2.13 4.0070e-01 15032 1 1 1 1 128 PHE CA 55.3 . 58.25 2.73 2.7988e-01 15032 1 1 1 1 128 PHE CB 44.1 . 39.95 2.04 4.1920e-02 15032 1 1 1 1 128 PHE CD1 131.5 . 131.38 1.38 9.3071e-01 15032 1 1 1 1 128 PHE CE1 130.3 . 130.48 1.29 8.8903e-01 15032 1 1 1 1 128 PHE CZ 130.6 . 129.11 1.68 3.7513e-01 15032 1 1 1 1 128 PHE H 7.93 . 8.42 0.74 5.0787e-01 15032 1 1 1 1 128 PHE HA 4.41 . 4.62 0.58 7.1730e-01 15032 1 1 1 1 128 PHE HB2 2.62 . 2.99 0.37 3.1731e-01 15032 1 1 1 1 128 PHE HB3 0.31 M 2.97 0.38 2.5596e-12 15032 1 1 1 1 128 PHE HD1 6.89 . 6.91 0.82 9.8054e-01 15032 1 1 1 1 128 PHE HD2 6.89 . 6.89 0.86 1.0000e+00 15032 1 1 1 1 128 PHE HE1 7.13 . 6.95 0.82 8.2625e-01 15032 1 1 1 1 128 PHE HE2 7.13 . 6.94 0.86 8.2515e-01 15032 1 1 1 1 128 PHE HZ 7.24 . 6.92 0.8 6.8916e-01 15032 1 1 1 1 128 PHE N 117.2 . 120.69 4.18 4.0376e-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 15032 1 1 1 1 128 PHE GLY 0.34 15032 1 1 1 1 128 PHE PHE 0.26 15032 1 1 1 1 128 PHE CYS 0.24 15032 1 1 1 1 128 PHE TYR 0.14 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15032 _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 15032 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 15032 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15032 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15032 _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_