data_AVS_bmrb_pdb_report_11378 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11378 _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 26 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11378 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 11378 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 26 MET C 177.363 . 176.3 2.13 6.1774e-01 11378 1 1 1 1 26 MET CA 59.108 . 56.16 2.34 2.0773e-01 11378 1 1 1 1 26 MET CB 31.396 . 32.9 2.23 5.0003e-01 11378 1 1 1 1 26 MET CG 31.516 . 32.07 1.45 7.0241e-01 11378 1 1 1 1 26 MET CE 17.673 . 17.21 3.42 8.9231e-01 11378 1 1 1 1 26 MET H 7.300 . 8.26 0.6 1.0960e-01 11378 1 1 1 1 26 MET HA 2.392 A 4.39 0.46 1.4024e-05 11378 1 1 1 1 26 MET HB2 2.087 . 2.03 0.38 8.8076e-01 11378 1 1 1 1 26 MET HB3 1.502 . 2.01 0.36 1.5821e-01 11378 1 1 1 1 26 MET HG2 2.229 . 2.44 0.36 5.5780e-01 11378 1 1 1 1 26 MET HG3 2.158 . 2.41 0.4 5.2869e-01 11378 1 1 1 1 26 MET HE1 2.080 . 1.86 0.47 6.3972e-01 11378 1 1 1 1 26 MET HE2 2.080 . 1.86 0.47 6.3972e-01 11378 1 1 1 1 26 MET HE3 2.080 . 1.86 0.47 6.3972e-01 11378 1 1 1 1 26 MET N 121.321 . 120.1 3.88 7.5300e-01 11378 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 26 MET CYS 0.54 11378 1 1 1 1 26 MET MET 0.45 11378 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11378 _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 11378 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11378 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11378 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11378 _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_