data_AVS_bmrb_pdb_report_15813 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15813 _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 51 MET Anomalous Consistent Consistent Consistent Anomalous Indeterminable . . 15813 1 1 1 1 97 TYR Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 15813 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 51 MET C 178.200 . 176.3 2.13 3.7238e-01 15813 1 1 1 1 51 MET CA 62.70 A 56.16 2.34 5.1920e-03 15813 1 1 1 1 51 MET CB 32.650 . 32.9 2.23 9.1074e-01 15813 1 1 1 1 51 MET CE 16.118 . 17.21 3.42 7.4950e-01 15813 1 1 1 1 51 MET HA 4.295 . 4.39 0.46 8.3638e-01 15813 1 1 1 1 51 MET HB2 2.376 . 2.03 0.38 3.6255e-01 15813 1 1 1 1 51 MET HB3 1.882 . 2.01 0.36 7.2217e-01 15813 1 1 1 1 51 MET HG2 2.599 . 2.44 0.36 6.5873e-01 15813 1 1 1 1 51 MET HE1 1.938 . 1.86 0.47 8.6819e-01 15813 1 1 1 1 51 MET HE2 1.938 . 1.86 0.47 8.6819e-01 15813 1 1 1 1 51 MET HE3 1.938 . 1.86 0.47 8.6819e-01 15813 1 1 1 1 97 TYR C 174.273 . 175.39 1.89 5.5452e-01 15813 1 1 1 1 97 TYR CA 57.973 . 58.02 2.64 9.8580e-01 15813 1 1 1 1 97 TYR CB 39.002 . 39.16 2.23 9.4352e-01 15813 1 1 1 1 97 TYR CD1 119.7 A 132.54 1.35 1.8864e-21 15813 1 1 1 1 97 TYR CD2 119.7 S 132.26 1.99 2.7624e-10 15813 1 1 1 1 97 TYR CE1 132.1 S 117.81 2.09 8.0688e-12 15813 1 1 1 1 97 TYR CE2 132.1 S 117.91 2.6 4.8236e-08 15813 1 1 1 1 97 TYR H 8.908 . 8.37 0.75 4.7317e-01 15813 1 1 1 1 97 TYR HA 5.050 . 4.63 0.56 4.5325e-01 15813 1 1 1 1 97 TYR HB2 2.806 . 2.91 0.37 7.7865e-01 15813 1 1 1 1 97 TYR HB3 2.806 . 2.91 0.37 7.7865e-01 15813 1 1 1 1 97 TYR HD1 6.912 . 6.87 0.65 9.4848e-01 15813 1 1 1 1 97 TYR HD2 6.912 . 6.86 0.68 9.3904e-01 15813 1 1 1 1 97 TYR HE1 7.242 . 6.64 0.58 2.9930e-01 15813 1 1 1 1 97 TYR HE2 7.242 . 6.63 0.61 3.1573e-01 15813 1 1 1 1 97 TYR N 127.003 . 120.79 4.69 1.8526e-01 15813 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 51 MET ILE 0.64 15813 1 1 1 1 51 MET MET 0.21 15813 1 1 1 1 51 MET VAL 0.14 15813 1 1 1 1 97 TYR GLY 0.99 15813 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15813 _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 15813 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15813 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15813 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15813 _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_