data_AVS_bmrb_pdb_report_11129 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11129 _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 53 MET Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11129 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 53 MET C 169.047 A 176.3 2.13 6.6124e-04 11129 1 1 1 1 53 MET CA 50.466 . 56.16 2.34 1.4961e-02 11129 1 1 1 1 53 MET CB 31.205 . 32.9 2.23 4.4720e-01 11129 1 1 1 1 53 MET CG 29.232 . 32.07 1.45 5.0319e-02 11129 1 1 1 1 53 MET CE 14.424 . 17.21 3.42 4.1529e-01 11129 1 1 1 1 53 MET H 8.479 . 8.26 0.6 7.1511e-01 11129 1 1 1 1 53 MET HA 4.711 . 4.39 0.46 4.8529e-01 11129 1 1 1 1 53 MET HB2 1.952 . 2.03 0.38 8.3737e-01 11129 1 1 1 1 53 MET HB3 1.833 . 2.01 0.36 6.2295e-01 11129 1 1 1 1 53 MET HG2 2.212 . 2.44 0.36 5.2652e-01 11129 1 1 1 1 53 MET HG3 2.351 . 2.41 0.4 8.8274e-01 11129 1 1 1 1 53 MET HE1 1.893 . 1.86 0.47 9.4402e-01 11129 1 1 1 1 53 MET HE2 1.893 . 1.86 0.47 9.4402e-01 11129 1 1 1 1 53 MET HE3 1.893 . 1.86 0.47 9.4402e-01 11129 1 1 1 1 53 MET N 118.126 . 120.1 3.88 6.1092e-01 11129 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 53 MET CYS 0.69 11129 1 1 1 1 53 MET MET 0.16 11129 1 1 1 1 53 MET ALA 0.13 11129 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11129 _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 11129 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11129 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11129 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11129 _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_