data_AVS_bmrb_pdb_report_15897 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15897 _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 83 HIS Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CE1 > CD2" 0.9917 15897 1 1 1 2 1 CU UNSUPPORTED . . . . . . .15897 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 83 HIS C 171.542 . 175.19 2.14 8.8255e-02 15897 1 1 1 1 83 HIS CA 55.489 . 56.37 2.4 7.1356e-01 15897 1 1 1 1 83 HIS CB 28.9 . 29.95 2.15 6.2529e-01 15897 1 1 1 1 83 HIS CD2 126.45 . 119.84 3.3 4.5174e-02 15897 1 1 1 1 83 HIS CE1 113.263 A 136.05 3.58 1.9518e-10 15897 1 1 1 1 83 HIS H 8.606 . 8.25 0.74 6.3046e-01 15897 1 1 1 1 83 HIS HA 4.468 . 4.62 0.51 7.6567e-01 15897 1 1 1 1 83 HIS HB2 3.388 . 3.12 0.43 5.3312e-01 15897 1 1 1 1 83 HIS HB3 2.654 . 3.11 0.45 3.1090e-01 15897 1 1 1 1 83 HIS HD2 6.308 . 7.08 0.5 1.2259e-01 15897 1 1 1 1 83 HIS HE1 7.421 . 8.08 0.57 2.4762e-01 15897 1 1 1 1 83 HIS N 110.808 . 119.44 4.52 5.6167e-02 15897 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 83 HIS TRP 0.55 15897 1 1 1 1 83 HIS CYS 0.44 15897 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15897 _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 15897 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15897 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15897 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15897 _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_