data_AVS_bmrb_pdb_report_4791 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4791 _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 4791 1 1 1 1 70 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 4791 1 1 1 1 70 TYR C 173.607 . 175.39 1.89 3.4548e-01 4791 1 1 1 1 70 TYR CA 52.95 . 58.02 2.64 5.4801e-02 4791 1 1 1 1 70 TYR CB 38.77 . 39.16 2.23 8.6117e-01 4791 1 1 1 1 70 TYR CD1 131.32 . 132.54 1.35 3.6615e-01 4791 1 1 1 1 70 TYR CD2 131.32 . 132.26 1.99 6.3667e-01 4791 1 1 1 1 70 TYR CE1 118.3 . 117.81 2.09 8.1464e-01 4791 1 1 1 1 70 TYR CE2 118.3 . 117.91 2.6 8.8076e-01 4791 1 1 1 1 70 TYR H 5.38 M 8.37 0.75 6.7008e-05 4791 1 1 1 1 70 TYR HA 4.21 . 4.63 0.56 4.5325e-01 4791 1 1 1 1 70 TYR HB2 2.94 . 2.91 0.37 9.3538e-01 4791 1 1 1 1 70 TYR HB3 3.46 . 2.91 0.37 1.3715e-01 4791 1 1 1 1 70 TYR HD1 6.78 . 6.87 0.65 8.8988e-01 4791 1 1 1 1 70 TYR HD2 6.78 . 6.86 0.68 9.0635e-01 4791 1 1 1 1 70 TYR HE1 6.66 . 6.64 0.58 9.7249e-01 4791 1 1 1 1 70 TYR HE2 6.66 . 6.63 0.61 9.6078e-01 4791 1 1 1 1 70 TYR N 119.96 . 120.79 4.69 8.5953e-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 4791 1 1 1 1 70 TYR TYR 0.56 4791 1 1 1 1 70 TYR CYS 0.43 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4791 _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 4791 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 4791 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4791 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4791 _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_