data_AVS_bmrb_pdb_report_5860 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5860 _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 5860 1 1 1 1 22 PHE Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5860 1 1 1 1 28 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5860 1 1 1 1 31 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 5860 1 1 1 1 22 PHE CA 69.380 M 58.25 2.73 4.5636e-05 5860 1 1 1 1 22 PHE CB 40.743 . 39.95 2.04 6.9748e-01 5860 1 1 1 1 22 PHE H 7.979 . 8.42 0.74 5.5121e-01 5860 1 1 1 1 22 PHE HB2 3.213 . 2.99 0.37 5.4671e-01 5860 1 1 1 1 22 PHE HB3 3.752 . 2.97 0.38 3.9600e-02 5860 1 1 1 1 22 PHE HD1 7.120 . 6.91 0.82 7.9788e-01 5860 1 1 1 1 22 PHE N 124.887 . 120.69 4.18 3.1535e-01 5860 1 1 1 1 28 THR CA 72.797 M 62.15 2.72 9.0652e-05 5860 1 1 1 1 28 THR CB 70.885 . 69.64 1.7 4.6395e-01 5860 1 1 1 1 28 THR CG2 18.425 . 21.44 1.39 3.0078e-02 5860 1 1 1 1 28 THR H 8.105 . 8.27 0.62 7.9014e-01 5860 1 1 1 1 28 THR HB 4.228 . 4.17 0.37 8.7544e-01 5860 1 1 1 1 28 THR HG2 0.995 . 1.16 0.28 5.5567e-01 5860 1 1 1 1 28 THR N 120.253 . 115.7 5.05 3.6728e-01 5860 1 1 1 1 31 PHE CA 69.821 M 58.25 2.73 2.2506e-05 5860 1 1 1 1 31 PHE CB 42.503 . 39.95 2.04 2.1076e-01 5860 1 1 1 1 31 PHE H 8.430 . 8.42 0.74 9.8922e-01 5860 1 1 1 1 31 PHE HB2 3.323 . 2.99 0.37 3.6812e-01 5860 1 1 1 1 31 PHE HB3 3.896 . 2.97 0.38 1.4816e-02 5860 1 1 1 1 31 PHE HD1 6.997 . 6.91 0.82 9.1551e-01 5860 1 1 1 1 31 PHE HE1 7.100 . 6.95 0.82 8.5486e-01 5860 1 1 1 1 31 PHE N 122.357 . 120.69 4.18 6.9004e-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 5860 1 1 1 1 22 PHE ILE 0.8 5860 1 1 1 1 22 PHE CYS 0.09 5860 1 1 1 1 22 PHE GLY 0.08 5860 1 1 1 1 22 PHE PHE 0.01 5860 1 1 1 1 28 THR THR 0.82 5860 1 1 1 1 28 THR CYS 0.17 5860 1 1 1 1 31 PHE GLY 0.94 5860 1 1 1 1 31 PHE ILE 0.04 5860 1 1 1 1 31 PHE CYS 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5860 _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 5860 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 5860 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5860 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5860 _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_