data_AVS_bmrb_pdb_report_6357 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6357 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6357 1 1 1 1 44 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6357 1 1 1 1 84 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6357 1 1 1 1 44 MET CA 56.498 . 56.16 2.34 8.8515e-01 6357 1 1 1 1 44 MET H 10.523 M 8.26 0.6 1.6216e-04 6357 1 1 1 1 44 MET N 120.436 . 120.1 3.88 9.3099e-01 6357 1 1 1 1 84 THR C 181.956 M 174.6 1.8 4.3762e-05 6357 1 1 1 1 84 THR CA 63.991 . 62.15 2.72 4.9851e-01 6357 1 1 1 1 84 THR CB 69.390 . 69.64 1.7 8.8309e-01 6357 1 1 1 1 84 THR H 9.643 . 8.27 0.62 2.6793e-02 6357 1 1 1 1 84 THR N 113.704 . 115.7 5.05 6.9266e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6357 1 1 1 1 44 MET HIS 0.1 6357 1 1 1 1 44 MET GLN 0.1 6357 1 1 1 1 44 MET MET 0.09 6357 1 1 1 1 44 MET LYS 0.09 6357 1 1 1 1 44 MET ARG 0.08 6357 1 1 1 1 44 MET CYS 0.08 6357 1 1 1 1 44 MET LEU 0.07 6357 1 1 1 1 44 MET GLU 0.07 6357 1 1 1 1 44 MET TRP 0.06 6357 1 1 1 1 44 MET TYR 0.05 6357 1 1 1 1 44 MET PHE 0.05 6357 1 1 1 1 44 MET ASP 0.03 6357 1 1 1 1 44 MET SER 0.03 6357 1 1 1 1 44 MET ASN 0.01 6357 1 1 1 1 44 MET ALA 0.01 6357 1 1 1 1 84 THR THR 0.99 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6357 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 6357 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 6357 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6357 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6357 _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_