data_AVS_bmrb_pdb_report_10242 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10242 _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 47 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 10242 1 1 1 1 108 MET Anomalous Consistent Consistent Consistent Anomalous Consistent . . 10242 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 47 HIS C 174.339 . 175.19 2.14 6.9088e-01 10242 1 1 1 1 47 HIS CA 57.764 . 56.37 2.4 5.6135e-01 10242 1 1 1 1 47 HIS CB 31.453 . 29.95 2.15 4.8451e-01 10242 1 1 1 1 47 HIS CD2 118.892 . 119.84 3.3 7.7390e-01 10242 1 1 1 1 47 HIS CE1 138.905 . 136.05 3.58 4.2517e-01 10242 1 1 1 1 47 HIS H 9.382 . 8.25 0.74 1.2608e-01 10242 1 1 1 1 47 HIS HA 4.628 . 4.62 0.51 9.8748e-01 10242 1 1 1 1 47 HIS HB2 3.245 . 3.12 0.43 7.7128e-01 10242 1 1 1 1 47 HIS HB3 2.809 . 3.11 0.45 5.0357e-01 10242 1 1 1 1 47 HIS HD2 7.049 . 7.08 0.5 9.5056e-01 10242 1 1 1 1 47 HIS HE1 7.729 . 8.08 0.57 5.3803e-01 10242 1 1 1 1 47 HIS N 133.900 A 119.44 4.52 1.3785e-03 10242 1 1 1 1 108 MET C 174.337 . 176.3 2.13 3.5674e-01 10242 1 1 1 1 108 MET CA 53.258 . 56.16 2.34 2.1491e-01 10242 1 1 1 1 108 MET CB 32.608 . 32.9 2.23 8.9582e-01 10242 1 1 1 1 108 MET CG 38.102 A 32.07 1.45 3.1825e-05 10242 1 1 1 1 108 MET CE 17.187 . 17.21 3.42 9.9463e-01 10242 1 1 1 1 108 MET H 8.284 . 8.26 0.6 9.6809e-01 10242 1 1 1 1 108 MET HA 4.792 . 4.39 0.46 3.8217e-01 10242 1 1 1 1 108 MET HB2 2.099 . 2.03 0.38 8.5591e-01 10242 1 1 1 1 108 MET HB3 1.960 . 2.01 0.36 8.8954e-01 10242 1 1 1 1 108 MET HG2 2.671 . 2.44 0.36 5.2109e-01 10242 1 1 1 1 108 MET HG3 2.578 . 2.41 0.4 6.7449e-01 10242 1 1 1 1 108 MET HE1 2.114 . 1.86 0.47 5.8890e-01 10242 1 1 1 1 108 MET HE2 2.114 . 1.86 0.47 5.8890e-01 10242 1 1 1 1 108 MET HE3 2.114 . 1.86 0.47 5.8890e-01 10242 1 1 1 1 108 MET N 121.025 . 120.1 3.88 8.1157e-01 10242 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 47 HIS HIS 0.99 10242 1 1 1 1 108 MET ALA 0.98 10242 1 1 1 1 108 MET ILE 0.01 10242 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10242 _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 10242 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10242 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10242 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10242 _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_