data_AVS_bmrb_pdb_report_5064 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5064 _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 5064 1 1 1 1 127 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 5064 1 1 1 1 128 TYR 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 5064 1 1 1 1 127 ALA C 178.287 . 177.8 2.18 8.2323e-01 5064 1 1 1 1 127 ALA CA 48.861 . 53.16 2.06 3.6898e-02 5064 1 1 1 1 127 ALA CB 23.381 . 18.9 1.85 1.5428e-02 5064 1 1 1 1 127 ALA H 9.076 . 8.2 0.6 1.4429e-01 5064 1 1 1 1 127 ALA HA 6.514 M 4.26 0.42 8.0205e-08 5064 1 1 1 1 127 ALA HB 1.564 . 1.38 0.25 4.6173e-01 5064 1 1 1 1 127 ALA N 127.935 . 123.23 3.7 2.0351e-01 5064 1 1 1 1 128 TYR C 174.387 . 175.39 1.89 5.9564e-01 5064 1 1 1 1 128 TYR CA 55.027 . 58.02 2.64 2.5692e-01 5064 1 1 1 1 128 TYR CB 42.918 . 39.16 2.23 9.1950e-02 5064 1 1 1 1 128 TYR H 8.528 . 8.37 0.75 8.3315e-01 5064 1 1 1 1 128 TYR HA 6.73 M 4.63 0.56 1.7683e-04 5064 1 1 1 1 128 TYR HB2 2.853 . 2.91 0.37 8.7757e-01 5064 1 1 1 1 128 TYR HB3 3.274 . 2.91 0.37 3.2522e-01 5064 1 1 1 1 128 TYR N 115.771 . 120.79 4.69 2.8455e-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 5064 1 1 1 1 127 ALA GLY 0.39 5064 1 1 1 1 127 ALA LEU 0.25 5064 1 1 1 1 127 ALA ALA 0.18 5064 1 1 1 1 127 ALA PRO 0.07 5064 1 1 1 1 127 ALA MET 0.04 5064 1 1 1 1 127 ALA LYS 0.02 5064 1 1 1 1 128 TYR LEU 0.32 5064 1 1 1 1 128 TYR ARG 0.25 5064 1 1 1 1 128 TYR ASP 0.14 5064 1 1 1 1 128 TYR LYS 0.12 5064 1 1 1 1 128 TYR PHE 0.06 5064 1 1 1 1 128 TYR TYR 0.04 5064 1 1 1 1 128 TYR GLY 0.03 5064 1 1 1 1 128 TYR ASN 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5064 _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 5064 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 5064 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5064 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5064 _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_