data_AVS_bmrb_pdb_report_5332 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5332 _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 5332 1 1 1 1 141 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5332 1 1 1 1 159 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 5332 1 1 1 1 141 LEU CA 53.4 . 55.65 2.21 3.0863e-01 5332 1 1 1 1 141 LEU CB 41.4 . 42.37 1.86 6.0201e-01 5332 1 1 1 1 141 LEU H 7.30 . 8.22 0.65 1.5696e-01 5332 1 1 1 1 141 LEU HA 4.81 . 4.32 0.47 2.9716e-01 5332 1 1 1 1 141 LEU HB2 3.05 M 1.63 0.34 2.9607e-05 5332 1 1 1 1 141 LEU HB3 1.88 . 1.57 0.36 3.8918e-01 5332 1 1 1 1 141 LEU N 121.4 . 121.98 4.07 8.8668e-01 5332 1 1 1 1 159 PHE C 167.7 M 175.49 2.13 2.5491e-04 5332 1 1 1 1 159 PHE CA 60.5 . 58.25 2.73 4.0984e-01 5332 1 1 1 1 159 PHE CB 40.0 . 39.95 2.04 9.8045e-01 5332 1 1 1 1 159 PHE H 7.63 . 8.42 0.74 2.8572e-01 5332 1 1 1 1 159 PHE HA 4.39 . 4.62 0.58 6.9170e-01 5332 1 1 1 1 159 PHE HB2 2.51 . 2.99 0.37 1.9453e-01 5332 1 1 1 1 159 PHE HB3 2.85 . 2.97 0.38 7.5216e-01 5332 1 1 1 1 159 PHE N 116.6 . 120.69 4.18 3.2784e-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 5332 1 1 1 1 141 LEU ASP 0.3 5332 1 1 1 1 141 LEU LEU 0.2 5332 1 1 1 1 141 LEU ASN 0.11 5332 1 1 1 1 141 LEU LYS 0.11 5332 1 1 1 1 141 LEU CYS 0.1 5332 1 1 1 1 141 LEU PHE 0.06 5332 1 1 1 1 141 LEU TYR 0.05 5332 1 1 1 1 141 LEU ARG 0.03 5332 1 1 1 1 159 PHE ILE 0.27 5332 1 1 1 1 159 PHE PHE 0.27 5332 1 1 1 1 159 PHE TYR 0.22 5332 1 1 1 1 159 PHE CYS 0.17 5332 1 1 1 1 159 PHE LYS 0.01 5332 1 1 1 1 159 PHE LEU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5332 _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 5332 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 5332 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5332 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5332 _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_