data_AVS_bmrb_pdb_report_17751 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17751 _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 77 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17751 1 1 1 1 107 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17751 1 1 1 2 1 ZIN UNSUPPORTED . . . . . . . 17751 1 1 1 3 1 ZN UNSUPPORTED . . . . . . . 17751 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 77 HIS CA 57.800 . 56.37 2.4 5.5129e-01 17751 1 1 1 1 77 HIS CB 30.700 . 29.95 2.15 7.2721e-01 17751 1 1 1 1 77 HIS CD2 117.200 . 119.84 3.3 4.2371e-01 17751 1 1 1 1 77 HIS CE1 141.100 A 136.05 3.58 1.5836e-01 17751 1 1 1 1 77 HIS H 8.190 . 8.25 0.74 9.3538e-01 17751 1 1 1 1 77 HIS HA 4.720 . 4.62 0.51 8.4455e-01 17751 1 1 1 1 77 HIS HB2 3.690 . 3.12 0.43 1.8498e-01 17751 1 1 1 1 77 HIS HB3 2.810 . 3.11 0.45 5.0499e-01 17751 1 1 1 1 77 HIS HD2 6.710 . 7.08 0.5 4.5930e-01 17751 1 1 1 1 77 HIS HE1 8.410 . 8.08 0.57 5.6262e-01 17751 1 1 1 1 77 HIS N 120.300 . 119.44 4.52 8.4910e-01 17751 1 1 1 1 107 HIS CA 58.100 . 56.37 2.4 4.7101e-01 17751 1 1 1 1 107 HIS CB 30.500 . 29.95 2.15 7.9809e-01 17751 1 1 1 1 107 HIS CD2 126.000 . 119.84 3.3 6.1948e-02 17751 1 1 1 1 107 HIS CE1 145.800 A 136.05 3.58 6.4601e-03 17751 1 1 1 1 107 HIS H 8.170 . 8.25 0.74 9.1391e-01 17751 1 1 1 1 107 HIS HA 4.410 . 4.62 0.51 6.8051e-01 17751 1 1 1 1 107 HIS HB2 3.690 . 3.12 0.43 1.8498e-01 17751 1 1 1 1 107 HIS HB3 3.330 . 3.11 0.45 6.2492e-01 17751 1 1 1 1 107 HIS HD2 6.740 . 7.08 0.5 4.9650e-01 17751 1 1 1 1 107 HIS HE1 7.430 . 8.08 0.57 2.5414e-01 17751 1 1 1 1 107 HIS N 122.000 . 119.44 4.52 5.7114e-01 17751 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 77 HIS HIS 0.74 17751 1 1 1 1 77 HIS TRP 0.25 17751 1 1 1 1 107 HIS TRP 0.76 17751 1 1 1 1 107 HIS HIS 0.23 17751 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17751 _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 17751 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17751 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17751 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17751 _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_