data_AVS_bmrb_pdb_report_17767 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17767 _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 98 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17767 1 1 1 2 1 CHO UNSUPPORTED . . . . . . . 17767 1 1 1 3 1 GCH UNSUPPORTED . . . . . . . 17767 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 98 HIS C 174.500 . 175.25 1.97 7.0342e-01 17767 1 1 1 1 98 HIS CA 56.260 . 56.52 2.31 9.1038e-01 17767 1 1 1 1 98 HIS CB 36.270 . 30.24 2.07 3.5792e-03 17767 1 1 1 1 98 HIS CD2 112.960 . 120.49 3.42 2.7683e-02 17767 1 1 1 1 98 HIS CE1 135.200 . 137.71 2.12 2.3643e-01 17767 1 1 1 1 98 HIS H 9.190 . 8.24 0.68 1.6240e-01 17767 1 1 1 1 98 HIS HA 5.190 . 4.61 0.43 1.7739e-01 17767 1 1 1 1 98 HIS HB2 2.850 . 3.1 0.36 4.8740e-01 17767 1 1 1 1 98 HIS HB3 3.340 . 3.04 0.38 4.2984e-01 17767 1 1 1 1 98 HIS HD2 6.410 . 7 0.43 1.7003e-01 17767 1 1 1 1 98 HIS HE1 7.830 . 7.95 0.48 8.0259e-01 17767 1 1 1 1 98 HIS HE2 11.500 . 9.64 2.6 4.7437e-01 17767 1 1 1 1 98 HIS N 126.300 . 119.69 4 9.8433e-02 17767 1 1 1 1 98 HIS ND1 257.700 A 195.02 18.51 7.0848e-04 17767 1 1 1 1 98 HIS NE2 167.900 . 182.41 14.4 3.1363e-01 17767 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 98 HIS CYS 0.96 17767 1 1 1 1 98 HIS TRP 0.02 17767 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17767 _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 17767 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17767 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17767 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17767 _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_