data_AVS_bmrb_pdb_report_11024 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11024 _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 11024 1 1 1 1 27 TYR Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 11024 1 1 1 1 83 TYR Anomalous Suspicious 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 11024 1 1 1 1 27 TYR C 176.996 . 175.39 1.89 3.9547e-01 11024 1 1 1 1 27 TYR CA 59.011 . 58.02 2.64 7.0738e-01 11024 1 1 1 1 27 TYR CB 36.745 . 39.16 2.23 2.7883e-01 11024 1 1 1 1 27 TYR CD1 117.635 M 132.54 1.35 2.4302e-28 11024 1 1 1 1 27 TYR CE1 118.336 . 117.81 2.09 8.0129e-01 11024 1 1 1 1 27 TYR H 7.270 . 8.37 0.75 1.4247e-01 11024 1 1 1 1 27 TYR HA 4.170 . 4.63 0.56 4.1140e-01 11024 1 1 1 1 27 TYR HB2 3.210 . 2.91 0.37 4.1747e-01 11024 1 1 1 1 27 TYR HB3 2.980 . 2.91 0.37 8.4994e-01 11024 1 1 1 1 27 TYR HD1 7.150 . 6.87 0.65 6.6664e-01 11024 1 1 1 1 27 TYR HE1 6.748 . 6.64 0.58 8.5228e-01 11024 1 1 1 1 27 TYR N 111.114 . 120.79 4.69 3.9102e-02 11024 1 1 1 1 83 TYR C 177.586 . 175.39 1.89 2.4527e-01 11024 1 1 1 1 83 TYR CA 62.526 . 58.02 2.64 8.7856e-02 11024 1 1 1 1 83 TYR CB 37.917 . 39.16 2.23 5.7725e-01 11024 1 1 1 1 83 TYR CD1 117.433 M 132.54 1.35 4.5453e-29 11024 1 1 1 1 83 TYR CE1 118.554 . 117.81 2.09 7.2185e-01 11024 1 1 1 1 83 TYR H 8.234 . 8.37 0.75 8.5611e-01 11024 1 1 1 1 83 TYR HA 4.240 . 4.63 0.56 4.8616e-01 11024 1 1 1 1 83 TYR HB2 3.140 . 2.91 0.37 5.3419e-01 11024 1 1 1 1 83 TYR HB3 3.520 . 2.91 0.37 9.9220e-02 11024 1 1 1 1 83 TYR HD1 6.990 . 6.87 0.65 8.5353e-01 11024 1 1 1 1 83 TYR HE1 6.714 . 6.64 0.58 8.9848e-01 11024 1 1 1 1 83 TYR N 120.331 . 120.79 4.69 9.2204e-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 11024 1 1 1 1 27 TYR HIS 0.99 11024 1 1 1 1 83 TYR HIS 0.85 11024 1 1 1 1 83 TYR GLY 0.14 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11024 _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 11024 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 11024 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 11024 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11024 _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_