data_AVS_bmrb_pdb_report_25896 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25896 _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 1 132 MET Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 1.0000 25896 1 1 1 1 134 GLN Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 1.0000 25896 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 1 132 MET C 178.492 . 176.18 2.09 2.6863e-01 25896 1 1 1 1 132 MET CA 33.101 A 56.11 2.23 5.8466e-25 25896 1 1 1 1 132 MET CB 58.942 A 32.99 2.24 4.8689e-31 25896 1 1 1 1 132 MET H 8.252 . 8.26 0.6 9.8936e-01 25896 1 1 1 1 132 MET N 120.236 . 120.09 3.57 9.6738e-01 25896 1 1 1 1 134 GLN C 177.649 . 176.31 1.95 4.9229e-01 25896 1 1 1 1 134 GLN CA 28.484 A 56.57 2.14 2.3898e-39 25896 1 1 1 1 134 GLN CB 58.421 A 29.19 1.82 4.7885e-58 25896 1 1 1 1 134 GLN H 7.751 . 8.22 0.59 4.2666e-01 25896 1 1 1 1 134 GLN N 118.062 . 119.89 3.6 6.1161e-01 25896 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 1 132 MET LYS 0.29 25896 1 1 1 1 132 MET GLN 0.2 25896 1 1 1 1 132 MET VAL 0.2 25896 1 1 1 1 132 MET ARG 0.12 25896 1 1 1 1 132 MET HIS 0.09 25896 1 1 1 1 132 MET GLU 0.06 25896 1 1 1 1 134 GLN LYS 0.24 25896 1 1 1 1 134 GLN GLU 0.2 25896 1 1 1 1 134 GLN HIS 0.17 25896 1 1 1 1 134 GLN ILE 0.15 25896 1 1 1 1 134 GLN ARG 0.15 25896 1 1 1 1 134 GLN LEU 0.04 25896 1 1 1 1 134 GLN MET 0.02 25896 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25896 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 25896 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25896 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25896 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25896 _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_