data_AVS_bmrb_pdb_report_11425 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11425 _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 35 TYR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11425 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 35 TYR C 172.4 . 175.39 1.89 1.1365e-01 11425 1 1 1 1 35 TYR CA 53.156 . 58.02 2.64 6.5413e-02 11425 1 1 1 1 35 TYR CB 39.581 . 39.16 2.23 8.5026e-01 11425 1 1 1 1 35 TYR CD1 130.500 . 132.54 1.35 1.3076e-01 11425 1 1 1 1 35 TYR CD2 130.500 . 132.26 1.99 3.7647e-01 11425 1 1 1 1 35 TYR CE1 114.700 . 117.81 2.09 1.3674e-01 11425 1 1 1 1 35 TYR CE2 114.700 A 117.91 2.6 2.1697e-01 11425 1 1 1 1 35 TYR H 9.828 . 8.37 0.75 5.1896e-02 11425 1 1 1 1 35 TYR HA 5.504 . 4.63 0.56 1.1859e-01 11425 1 1 1 1 35 TYR HB2 3.057 . 2.91 0.37 6.9115e-01 11425 1 1 1 1 35 TYR HB3 2.463 . 2.91 0.37 2.2701e-01 11425 1 1 1 1 35 TYR HD1 6.915 . 6.87 0.65 9.4481e-01 11425 1 1 1 1 35 TYR HD2 6.915 . 6.86 0.68 9.3554e-01 11425 1 1 1 1 35 TYR HE1 6.551 . 6.64 0.58 8.7804e-01 11425 1 1 1 1 35 TYR HE2 6.551 . 6.63 0.61 8.9696e-01 11425 1 1 1 1 35 TYR N 123.400 . 120.79 4.69 5.7787e-01 11425 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 35 TYR TYR 0.99 11425 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11425 _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.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 11425 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11425 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11425 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11425 _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_