data_AVS_bmrb_pdb_report_10145 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10145 _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 1 114 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 10145 1 1 1 1 149 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 10145 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 1 114 HIS C 174.161 . 175.19 2.14 6.3063e-01 10145 1 1 1 1 114 HIS CA 60.716 . 56.37 2.4 7.0167e-02 10145 1 1 1 1 114 HIS CB 28.856 . 29.95 2.15 6.1087e-01 10145 1 1 1 1 114 HIS CD2 116.737 . 119.84 3.3 3.4706e-01 10145 1 1 1 1 114 HIS CE1 140.745 A 136.05 3.58 1.8970e-01 10145 1 1 1 1 114 HIS H 8.143 . 8.25 0.74 8.8503e-01 10145 1 1 1 1 114 HIS HA 4.419 . 4.62 0.51 6.9349e-01 10145 1 1 1 1 114 HIS HB2 3.557 . 3.12 0.43 3.0950e-01 10145 1 1 1 1 114 HIS HB3 3.117 . 3.11 0.45 9.8759e-01 10145 1 1 1 1 114 HIS HD2 6.541 . 7.08 0.5 2.8103e-01 10145 1 1 1 1 114 HIS HE1 8.577 . 8.08 0.57 3.8325e-01 10145 1 1 1 1 114 HIS N 120.544 . 119.44 4.52 8.0704e-01 10145 1 1 1 1 149 ARG C 178.877 . 176.49 2.16 2.6912e-01 10145 1 1 1 1 149 ARG CA 59.074 . 56.95 2.41 3.7814e-01 10145 1 1 1 1 149 ARG CB 29.366 . 30.66 1.77 4.6473e-01 10145 1 1 1 1 149 ARG CG 25.520 . 27.31 1.65 2.7799e-01 10145 1 1 1 1 149 ARG CD 43.781 . 43.1 1.1 5.3586e-01 10145 1 1 1 1 149 ARG H 8.843 . 8.24 0.6 3.1490e-01 10145 1 1 1 1 149 ARG HA 1.940 A 4.27 0.44 1.1872e-07 10145 1 1 1 1 149 ARG HB2 1.659 . 1.79 0.28 6.3989e-01 10145 1 1 1 1 149 ARG HB3 0.529 S 1.78 0.28 7.9007e-06 10145 1 1 1 1 149 ARG HG2 1.006 . 1.58 0.27 3.3509e-02 10145 1 1 1 1 149 ARG HG3 0.432 S 1.58 0.27 2.1201e-05 10145 1 1 1 1 149 ARG HD2 2.947 . 3.13 0.23 4.2623e-01 10145 1 1 1 1 149 ARG HD3 3.002 . 3.13 0.22 5.6069e-01 10145 1 1 1 1 149 ARG HE 7.483 . 7.32 0.52 7.5393e-01 10145 1 1 1 1 149 ARG N 118.671 . 120.61 3.9 6.1906e-01 10145 1 1 1 1 149 ARG NE 82.581 . 89.8 12.83 5.7366e-01 10145 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 1 114 HIS CYS 0.63 10145 1 1 1 1 114 HIS HIS 0.25 10145 1 1 1 1 114 HIS TRP 0.1 10145 1 1 1 1 149 ARG CYS 0.36 10145 1 1 1 1 149 ARG ARG 0.3 10145 1 1 1 1 149 ARG GLY 0.14 10145 1 1 1 1 149 ARG LYS 0.12 10145 1 1 1 1 149 ARG LEU 0.05 10145 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10145 _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 10145 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 10145 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 10145 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10145 _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_