data_AVS_bmrb_pdb_report_27925 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27925 _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 66 TYR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 27925 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 66 TYR C 172.9630 . 175.4 1.99 2.2072e-01 27925 1 1 1 1 66 TYR CA 57.5000 . 58.13 2.51 8.0182e-01 27925 1 1 1 1 66 TYR CB 43.1000 . 39.32 2.16 8.0118e-02 27925 1 1 1 1 66 TYR CD1 130.8600 . 132.77 1.17 1.0258e-01 27925 1 1 1 1 66 TYR CD2 130.8600 . 132.73 1.3 1.5030e-01 27925 1 1 1 1 66 TYR CE1 117.0100 . 117.93 1.19 4.3946e-01 27925 1 1 1 1 66 TYR CE2 117.0100 . 117.9 1.18 4.5071e-01 27925 1 1 1 1 66 TYR H 8.7580 . 8.32 0.73 5.4851e-01 27925 1 1 1 1 66 TYR HA 4.9560 . 4.63 0.56 5.6047e-01 27925 1 1 1 1 66 TYR HB2 2.8070 . 2.91 0.37 7.8072e-01 27925 1 1 1 1 66 TYR HB3 2.8070 . 2.84 0.39 9.3257e-01 27925 1 1 1 1 66 TYR HD1 7.3710 . 6.93 0.3 1.4156e-01 27925 1 1 1 1 66 TYR HD2 7.3710 . 6.93 0.3 1.4156e-01 27925 1 1 1 1 66 TYR HE1 8.0400 A 6.7 0.23 5.6742e-09 27925 1 1 1 1 66 TYR HE2 8.0400 S 6.71 0.23 7.3551e-09 27925 1 1 1 1 66 TYR N 122.5900 . 120.52 4.2 6.2211e-01 27925 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 66 TYR CYS 0.47 27925 1 1 1 1 66 TYR TYR 0.3 27925 1 1 1 1 66 TYR GLY 0.21 27925 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27925 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 27925 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27925 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27925 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27925 _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_