data_AVS_bmrb_pdb_report_17412 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17412 _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 1 107 TYR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17412 1 1 1 1 112 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17412 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 1 107 TYR C 175.426 . 175.39 1.89 9.8480e-01 17412 1 1 1 1 107 TYR CA 61.488 . 58.02 2.64 1.8897e-01 17412 1 1 1 1 107 TYR CB 34.035 . 39.16 2.23 2.1550e-02 17412 1 1 1 1 107 TYR CD1 132.388 . 132.54 1.35 9.1035e-01 17412 1 1 1 1 107 TYR CE1 118.261 . 117.81 2.09 8.2915e-01 17412 1 1 1 1 107 TYR H 7.820 . 8.37 0.75 4.6336e-01 17412 1 1 1 1 107 TYR HA 3.457 . 4.63 0.56 3.6203e-02 17412 1 1 1 1 107 TYR HB2 3.342 . 2.91 0.37 2.4298e-01 17412 1 1 1 1 107 TYR HB3 2.804 . 2.91 0.37 7.7451e-01 17412 1 1 1 1 107 TYR HD1 6.916 . 6.87 0.65 9.4358e-01 17412 1 1 1 1 107 TYR HD2 6.916 . 6.86 0.68 9.3437e-01 17412 1 1 1 1 107 TYR HE1 6.808 . 6.64 0.58 7.7208e-01 17412 1 1 1 1 107 TYR HE2 6.808 . 6.63 0.61 7.7044e-01 17412 1 1 1 1 107 TYR N 102.492 A 120.79 4.69 9.5601e-05 17412 1 1 1 1 112 ALA C 177.898 . 177.8 2.18 9.6414e-01 17412 1 1 1 1 112 ALA CA 49.060 . 53.16 2.06 4.6559e-02 17412 1 1 1 1 112 ALA CB 21.869 . 18.9 1.85 1.0852e-01 17412 1 1 1 1 112 ALA H 8.925 . 8.2 0.6 2.2692e-01 17412 1 1 1 1 112 ALA HA 6.301 A 4.26 0.42 1.1767e-06 17412 1 1 1 1 112 ALA HB1 1.184 . 1.38 0.25 4.3304e-01 17412 1 1 1 1 112 ALA HB2 1.184 . 1.38 0.25 4.3304e-01 17412 1 1 1 1 112 ALA HB3 1.184 . 1.38 0.25 4.3304e-01 17412 1 1 1 1 112 ALA N 128.400 . 123.23 3.7 1.6232e-01 17412 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 1 107 TYR TYR 0.65 17412 1 1 1 1 107 TYR HIS 0.34 17412 1 1 1 1 112 ALA ALA 0.67 17412 1 1 1 1 112 ALA GLY 0.15 17412 1 1 1 1 112 ALA LEU 0.09 17412 1 1 1 1 112 ALA MET 0.07 17412 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17412 _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 17412 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17412 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17412 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17412 _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_