data_AVS_bmrb_pdb_report_10263 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10263 _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 13 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10263 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 13 MET C 172.639 . 176.3 2.13 8.5655e-02 10263 1 1 1 1 13 MET CA 54.168 . 56.16 2.34 3.9461e-01 10263 1 1 1 1 13 MET CB 37.632 . 32.9 2.23 3.3840e-02 10263 1 1 1 1 13 MET CG 30.913 . 32.07 1.45 4.2491e-01 10263 1 1 1 1 13 MET CE 16.989 . 17.21 3.42 9.4848e-01 10263 1 1 1 1 13 MET H 5.605 A 8.26 0.6 9.6442e-06 10263 1 1 1 1 13 MET HA 5.091 . 4.39 0.46 1.2753e-01 10263 1 1 1 1 13 MET HB2 1.586 . 2.03 0.38 2.4264e-01 10263 1 1 1 1 13 MET HB3 1.431 . 2.01 0.36 1.0776e-01 10263 1 1 1 1 13 MET HG2 2.289 . 2.44 0.36 6.7489e-01 10263 1 1 1 1 13 MET HG3 2.122 . 2.41 0.4 4.7153e-01 10263 1 1 1 1 13 MET HE1 1.874 . 1.86 0.47 9.7624e-01 10263 1 1 1 1 13 MET HE2 1.874 . 1.86 0.47 9.7624e-01 10263 1 1 1 1 13 MET HE3 1.874 . 1.86 0.47 9.7624e-01 10263 1 1 1 1 13 MET N 121.634 . 120.1 3.88 6.9258e-01 10263 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 13 MET CYS 0.41 10263 1 1 1 1 13 MET ALA 0.38 10263 1 1 1 1 13 MET MET 0.15 10263 1 1 1 1 13 MET ILE 0.03 10263 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10263 _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 10263 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10263 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10263 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10263 _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_