data_AVS_bmrb_pdb_report_25527 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25527 _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 20 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25527 1 1 1 1 38 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25527 1 1 1 1 41 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25527 1 1 1 1 48 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25527 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 20 HIS CA 56.40 . 56.52 2.31 9.5857e-01 25527 1 1 1 1 20 HIS CB 30.50 . 30.24 2.07 9.0005e-01 25527 1 1 1 1 20 HIS CD2 118.70 . 120.49 3.42 6.0070e-01 25527 1 1 1 1 20 HIS CE1 138.50 . 137.71 2.12 7.0942e-01 25527 1 1 1 1 20 HIS H 7.97 . 8.24 0.68 6.9132e-01 25527 1 1 1 1 20 HIS HA 4.43 . 4.61 0.43 6.7550e-01 25527 1 1 1 1 20 HIS HB2 2.91 . 3.1 0.36 5.9765e-01 25527 1 1 1 1 20 HIS HB3 2.51 . 3.04 0.38 1.6309e-01 25527 1 1 1 1 20 HIS HD2 6.93 . 7 0.43 8.7068e-01 25527 1 1 1 1 20 HIS HE1 7.71 . 7.95 0.48 6.1707e-01 25527 1 1 1 1 20 HIS N 115.13 . 119.69 4 2.5429e-01 25527 1 1 1 1 20 HIS ND1 230.20 A 195.02 18.51 5.7355e-02 25527 1 1 1 1 20 HIS NE2 176.80 . 182.41 14.4 6.9684e-01 25527 1 1 1 1 38 HIS C 174.01 . 175.25 1.97 5.2906e-01 25527 1 1 1 1 38 HIS CA 53.30 . 56.52 2.31 1.6334e-01 25527 1 1 1 1 38 HIS CB 34.45 . 30.24 2.07 4.1970e-02 25527 1 1 1 1 38 HIS CD2 117.80 . 120.49 3.42 4.3155e-01 25527 1 1 1 1 38 HIS H 9.01 . 8.24 0.68 2.5749e-01 25527 1 1 1 1 38 HIS HA 5.05 . 4.61 0.43 3.0619e-01 25527 1 1 1 1 38 HIS HB2 2.95 . 3.1 0.36 6.7692e-01 25527 1 1 1 1 38 HIS HB3 2.72 . 3.04 0.38 3.9973e-01 25527 1 1 1 1 38 HIS HD2 6.52 . 7 0.43 2.6430e-01 25527 1 1 1 1 38 HIS HE1 7.68 . 7.95 0.48 5.7378e-01 25527 1 1 1 1 38 HIS N 127.43 . 119.69 4 5.2990e-02 25527 1 1 1 1 38 HIS ND1 231.60 A 195.02 18.51 4.8129e-02 25527 1 1 1 1 38 HIS NE2 173.10 . 182.41 14.4 5.1794e-01 25527 1 1 1 1 41 HIS C 175.24 . 175.25 1.97 9.9595e-01 25527 1 1 1 1 41 HIS CA 54.66 . 56.52 2.31 4.2071e-01 25527 1 1 1 1 41 HIS CB 32.47 . 30.24 2.07 2.8135e-01 25527 1 1 1 1 41 HIS CD2 130.40 . 120.49 3.42 3.7596e-03 25527 1 1 1 1 41 HIS H 9.32 . 8.24 0.68 1.1223e-01 25527 1 1 1 1 41 HIS HA 5.41 . 4.61 0.43 6.2820e-02 25527 1 1 1 1 41 HIS HB2 3.45 . 3.1 0.36 3.3094e-01 25527 1 1 1 1 41 HIS HB3 3.29 . 3.04 0.38 5.1061e-01 25527 1 1 1 1 41 HIS HD2 5.86 . 7 0.43 8.0215e-03 25527 1 1 1 1 41 HIS HE1 7.73 . 7.95 0.48 6.4671e-01 25527 1 1 1 1 41 HIS N 123.49 . 119.69 4 3.4211e-01 25527 1 1 1 1 41 HIS ND1 168.80 . 195.02 18.51 1.5662e-01 25527 1 1 1 1 41 HIS NE2 249.70 A 182.41 14.4 2.9695e-06 25527 1 1 1 1 48 HIS C 175.66 . 175.25 1.97 8.3513e-01 25527 1 1 1 1 48 HIS CA 55.92 . 56.52 2.31 7.9506e-01 25527 1 1 1 1 48 HIS CB 32.46 . 30.24 2.07 2.8351e-01 25527 1 1 1 1 48 HIS CD2 118.80 . 120.49 3.42 6.2120e-01 25527 1 1 1 1 48 HIS CE1 138.96 . 137.71 2.12 5.5544e-01 25527 1 1 1 1 48 HIS H 7.85 . 8.24 0.68 5.6629e-01 25527 1 1 1 1 48 HIS HA 4.96 . 4.61 0.43 4.1567e-01 25527 1 1 1 1 48 HIS HB2 3.39 . 3.1 0.36 4.2050e-01 25527 1 1 1 1 48 HIS HB3 2.91 . 3.04 0.38 7.3227e-01 25527 1 1 1 1 48 HIS HD2 6.98 . 7 0.43 9.6290e-01 25527 1 1 1 1 48 HIS HE1 7.77 . 7.95 0.48 7.0766e-01 25527 1 1 1 1 48 HIS N 115.83 . 119.69 4 3.3454e-01 25527 1 1 1 1 48 HIS ND1 235.40 A 195.02 18.51 2.9145e-02 25527 1 1 1 1 48 HIS NE2 174.97 . 182.41 14.4 6.0539e-01 25527 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 20 HIS HIS 0.99 25527 1 1 1 1 38 HIS HIS 0.71 25527 1 1 1 1 38 HIS TYR 0.28 25527 1 1 1 1 41 HIS HIS 0.64 25527 1 1 1 1 41 HIS TYR 0.28 25527 1 1 1 1 41 HIS PHE 0.07 25527 1 1 1 1 48 HIS HIS 0.99 25527 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25527 _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 25527 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25527 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25527 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25527 _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_