data_AVS_bmrb_pdb_report_4202 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4202 _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 43 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 4202 1 1 1 1 46 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 4202 1 1 1 1 71 HIS Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 4202 1 1 1 2 1 CU UNSUPPORTED . . . . . . . 4202 1 1 1 3 1 ZN UNSUPPORTED . . . . . . . 4202 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 43 HIS C 164.7 A 175.25 1.97 8.5400e-08 4202 1 1 1 1 43 HIS CA 54.3 . 56.52 2.31 3.3653e-01 4202 1 1 1 1 43 HIS CB 31.6 . 30.24 2.07 5.1118e-01 4202 1 1 1 1 43 HIS H 8.76 . 8.24 0.68 4.4445e-01 4202 1 1 1 1 43 HIS HA 4.33 . 4.61 0.43 5.1494e-01 4202 1 1 1 1 43 HIS HB2 3.53 . 3.1 0.36 2.3230e-01 4202 1 1 1 1 43 HIS HB3 2.57 . 3.04 0.38 2.1615e-01 4202 1 1 1 1 43 HIS HD1 13.0 . 8.68 2.62 9.9177e-02 4202 1 1 1 1 43 HIS HD2 7.08 . 7 0.43 8.5241e-01 4202 1 1 1 1 43 HIS HE1 8.59 . 7.95 0.48 1.8242e-01 4202 1 1 1 1 43 HIS HE2 14.1 . 9.64 2.6 8.6275e-02 4202 1 1 1 1 43 HIS N 115.7 . 119.69 4 3.1852e-01 4202 1 1 1 1 46 HIS C 175.2 . 175.25 1.97 9.7975e-01 4202 1 1 1 1 46 HIS CA 52.3 . 56.52 2.31 6.7724e-02 4202 1 1 1 1 46 HIS CB 36.4 . 30.24 2.07 2.9218e-03 4202 1 1 1 1 46 HIS H 8.25 . 8.24 0.68 9.8827e-01 4202 1 1 1 1 46 HIS HA 5.65 . 4.61 0.43 1.5580e-02 4202 1 1 1 1 46 HIS HB2 2.73 . 3.1 0.36 3.0405e-01 4202 1 1 1 1 46 HIS HB3 3.07 . 3.04 0.38 9.3707e-01 4202 1 1 1 1 46 HIS HD2 7.08 . 7 0.43 8.5241e-01 4202 1 1 1 1 46 HIS HE1 6.77 . 7.95 0.48 1.3958e-02 4202 1 1 1 1 46 HIS HE2 13.4 . 9.64 2.6 1.4813e-01 4202 1 1 1 1 46 HIS N 116.8 . 119.69 4 4.6999e-01 4202 1 1 1 1 46 HIS ND1 234.6 A 195.02 18.51 3.2492e-02 4202 1 1 1 1 46 HIS NE2 178.0 . 182.41 14.4 7.5941e-01 4202 1 1 1 1 71 HIS C 174.5 . 175.25 1.97 7.0342e-01 4202 1 1 1 1 71 HIS CA 56.0 . 56.52 2.31 8.2190e-01 4202 1 1 1 1 71 HIS CB 31.4 . 30.24 2.07 5.7522e-01 4202 1 1 1 1 71 HIS H 7.14 . 8.24 0.68 1.0574e-01 4202 1 1 1 1 71 HIS HA 2.88 S 4.61 0.43 5.7399e-05 4202 1 1 1 1 71 HIS HB2 2.32 . 3.1 0.36 3.0260e-02 4202 1 1 1 1 71 HIS HB3 2.69 . 3.04 0.38 3.5702e-01 4202 1 1 1 1 71 HIS HD2 6.80 . 7 0.43 6.4185e-01 4202 1 1 1 1 71 HIS HE1 7.74 . 7.95 0.48 6.6175e-01 4202 1 1 1 1 71 HIS HE2 15.3 . 9.64 2.6 2.9486e-02 4202 1 1 1 1 71 HIS N 113.1 . 119.69 4 9.9455e-02 4202 1 1 1 1 71 HIS ND1 208.6 . 195.02 18.51 4.6316e-01 4202 1 1 1 1 71 HIS NE2 17.0 A 182.41 14.4 1.5369e-30 4202 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 43 HIS HIS 0.19 4202 1 1 1 1 43 HIS ARG 0.18 4202 1 1 1 1 43 HIS CYS 0.17 4202 1 1 1 1 43 HIS LYS 0.14 4202 1 1 1 1 43 HIS TRP 0.11 4202 1 1 1 1 43 HIS GLN 0.08 4202 1 1 1 1 43 HIS GLU 0.08 4202 1 1 1 1 46 HIS ASN 0.54 4202 1 1 1 1 46 HIS CYS 0.26 4202 1 1 1 1 46 HIS GLU 0.09 4202 1 1 1 1 46 HIS PHE 0.03 4202 1 1 1 1 46 HIS LYS 0.02 4202 1 1 1 1 46 HIS ASP 0.01 4202 1 1 1 1 46 HIS GLN 0.01 4202 1 1 1 1 71 HIS ARG 0.17 4202 1 1 1 1 71 HIS HIS 0.16 4202 1 1 1 1 71 HIS CYS 0.15 4202 1 1 1 1 71 HIS LYS 0.13 4202 1 1 1 1 71 HIS TRP 0.13 4202 1 1 1 1 71 HIS GLU 0.12 4202 1 1 1 1 71 HIS GLN 0.09 4202 1 1 1 1 71 HIS VAL 0.01 4202 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4202 _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 4202 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4202 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4202 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4202 _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_