data_AVS_bmrb_pdb_report_18037 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18037 _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 1 126 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18037 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 1 126 HIS C 174.034 . 175.25 1.97 5.3706e-01 18037 1 1 1 1 126 HIS CA 54.358 . 56.52 2.31 3.4931e-01 18037 1 1 1 1 126 HIS CB 31.671 . 30.24 2.07 4.8937e-01 18037 1 1 1 1 126 HIS CD2 130.436 . 120.49 3.42 3.6353e-03 18037 1 1 1 1 126 HIS CE1 139.774 . 137.71 2.12 3.3026e-01 18037 1 1 1 1 126 HIS H 8.907 . 8.24 0.68 3.2665e-01 18037 1 1 1 1 126 HIS HA 5.749 . 4.61 0.43 8.0769e-03 18037 1 1 1 1 126 HIS HB2 4.225 . 3.1 0.36 1.7781e-03 18037 1 1 1 1 126 HIS HB3 3.254 . 3.04 0.38 5.7333e-01 18037 1 1 1 1 126 HIS HD1 13.575 . 8.68 2.62 6.1718e-02 18037 1 1 1 1 126 HIS HD2 6.472 . 7 0.43 2.1948e-01 18037 1 1 1 1 126 HIS HE1 7.710 . 7.95 0.48 6.1707e-01 18037 1 1 1 1 126 HIS N 123.523 . 119.69 4 3.3794e-01 18037 1 1 1 1 126 HIS ND1 172.730 . 195.02 18.51 2.2851e-01 18037 1 1 1 1 126 HIS NE2 249.630 A 182.41 14.4 3.0406e-06 18037 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 1 126 HIS CYS 0.66 18037 1 1 1 1 126 HIS TRP 0.29 18037 1 1 1 1 126 HIS HIS 0.03 18037 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18037 _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 18037 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18037 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18037 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18037 _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_