data_AVS_bmrb_pdb_report_11309 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11309 _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 28 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11309 1 1 1 1 55 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11309 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 11309 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 28 HIS C 177.813 . 175.19 2.14 2.2031e-01 11309 1 1 1 1 28 HIS CA 60.827 . 56.37 2.4 6.3299e-02 11309 1 1 1 1 28 HIS CB 29.289 . 29.95 2.15 7.5851e-01 11309 1 1 1 1 28 HIS CD2 126.718 . 119.84 3.3 3.7138e-02 11309 1 1 1 1 28 HIS CE1 140.852 A 136.05 3.58 1.7981e-01 11309 1 1 1 1 28 HIS H 8.443 . 8.25 0.74 7.9424e-01 11309 1 1 1 1 28 HIS HA 4.113 . 4.62 0.51 3.2017e-01 11309 1 1 1 1 28 HIS HB2 3.377 . 3.12 0.43 5.5006e-01 11309 1 1 1 1 28 HIS HB3 3.180 . 3.11 0.45 8.7638e-01 11309 1 1 1 1 28 HIS HD2 6.884 . 7.08 0.5 6.9506e-01 11309 1 1 1 1 28 HIS HE1 7.989 . 8.08 0.57 8.7316e-01 11309 1 1 1 1 28 HIS N 121.006 . 119.44 4.52 7.2900e-01 11309 1 1 1 1 55 HIS C 173.323 . 175.19 2.14 3.8297e-01 11309 1 1 1 1 55 HIS CA 55.274 . 56.37 2.4 6.4791e-01 11309 1 1 1 1 55 HIS CB 28.170 . 29.95 2.15 4.0772e-01 11309 1 1 1 1 55 HIS CD2 126.971 . 119.84 3.3 3.0702e-02 11309 1 1 1 1 55 HIS CE1 140.546 A 136.05 3.58 2.0916e-01 11309 1 1 1 1 55 HIS H 7.578 . 8.25 0.74 3.6382e-01 11309 1 1 1 1 55 HIS HA 4.933 . 4.62 0.51 5.3940e-01 11309 1 1 1 1 55 HIS HB2 3.389 . 3.12 0.43 5.3159e-01 11309 1 1 1 1 55 HIS HB3 2.031 . 3.11 0.45 1.6495e-02 11309 1 1 1 1 55 HIS HD2 6.764 . 7.08 0.5 5.2739e-01 11309 1 1 1 1 55 HIS HE1 8.311 . 8.08 0.57 6.8528e-01 11309 1 1 1 1 55 HIS N 124.514 . 119.44 4.52 2.6162e-01 11309 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 28 HIS TRP 0.51 11309 1 1 1 1 28 HIS CYS 0.44 11309 1 1 1 1 28 HIS HIS 0.04 11309 1 1 1 1 55 HIS TRP 0.44 11309 1 1 1 1 55 HIS CYS 0.44 11309 1 1 1 1 55 HIS HIS 0.1 11309 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11309 _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 11309 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11309 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11309 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11309 _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_