data_AVS_bmrb_pdb_report_11436 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11436 _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 7 20518 UNSUPPORTED . . . . . . . 11436 1 1 1 1 18 SER Anomalous Suspicious Consistent Suspicious Anomalous Consistent . . 11436 1 1 1 1 95 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11436 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 18 SER CA 57.213 . 58.57 2.12 5.2211e-01 11436 1 1 1 1 18 SER CB 54.860 A 63.8 1.57 1.2390e-08 11436 1 1 1 1 18 SER H 11.206 S 8.29 0.62 2.5608e-06 11436 1 1 1 1 18 SER N 121.624 . 116.3 3.95 1.7771e-01 11436 1 1 1 1 95 MET CA 56.893 . 56.16 2.34 7.5409e-01 11436 1 1 1 1 95 MET CB 33.155 . 32.9 2.23 9.0896e-01 11436 1 1 1 1 95 MET H 12.225 A 8.26 0.6 3.8867e-11 11436 1 1 1 1 95 MET N 116.943 . 120.1 3.88 4.1584e-01 11436 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 18 SER CYS 0.99 11436 1 1 1 1 95 MET LYS 0.18 11436 1 1 1 1 95 MET CYS 0.18 11436 1 1 1 1 95 MET MET 0.17 11436 1 1 1 1 95 MET GLN 0.16 11436 1 1 1 1 95 MET TRP 0.07 11436 1 1 1 1 95 MET ARG 0.06 11436 1 1 1 1 95 MET HIS 0.06 11436 1 1 1 1 95 MET GLU 0.04 11436 1 1 1 1 95 MET VAL 0.03 11436 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11436 _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 11436 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11436 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11436 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11436 _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_