data_AVS_bmrb_pdb_report_11549 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11549 _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 4 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11549 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 4 MET C 173.215 . 176.18 2.09 1.5600e-01 11549 1 1 1 1 4 MET CA 54.340 . 56.11 2.23 4.2736e-01 11549 1 1 1 1 4 MET CB 29.193 . 32.99 2.24 9.0059e-02 11549 1 1 1 1 4 MET CG 31.988 . 32.01 1.24 9.8584e-01 11549 1 1 1 1 4 MET CE 12.347 . 17.07 1.58 2.7967e-03 11549 1 1 1 1 4 MET H 9.182 . 8.26 0.6 1.2437e-01 11549 1 1 1 1 4 MET HA 3.953 . 4.41 0.48 3.4105e-01 11549 1 1 1 1 4 MET HB2 1.181 . 2.03 0.34 1.2523e-02 11549 1 1 1 1 4 MET HB3 0.930 . 1.99 0.34 1.8230e-03 11549 1 1 1 1 4 MET HG2 1.930 . 2.42 0.35 1.6151e-01 11549 1 1 1 1 4 MET HG3 1.930 . 2.39 0.38 2.2608e-01 11549 1 1 1 1 4 MET HE1 -0.713 A 1.89 0.46 1.5253e-08 11549 1 1 1 1 4 MET HE2 -0.713 A 1.89 0.46 1.5253e-08 11549 1 1 1 1 4 MET HE3 -0.713 A 1.89 0.46 1.5253e-08 11549 1 1 1 1 4 MET N 122.626 . 120.09 3.57 4.7748e-01 11549 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 4 MET MET 0.89 11549 1 1 1 1 4 MET ALA 0.06 11549 1 1 1 1 4 MET ILE 0.04 11549 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11549 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 11549 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11549 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11549 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11549 _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_