data_AVS_bmrb_pdb_report_6374 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6374 _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 31 HIS Anomalous Consistent Consistent Duplicate Consistent Anomalous . . 6374 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 6374 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 31 HIS CA 55.662 . 56.52 2.31 7.1032e-01 6374 1 1 1 1 31 HIS CB 27.706 . 30.24 2.07 2.2089e-01 6374 1 1 1 1 31 HIS CD2 116.038 . 120.49 3.42 1.9300e-01 6374 1 1 1 1 31 HIS CE1 135.998 . 137.71 2.12 4.1935e-01 6374 1 1 1 1 31 HIS H 8.594 . 8.24 0.68 6.0265e-01 6374 1 1 1 1 31 HIS HA 4.802 D 4.61 0.43 6.5523e-01 6374 1 1 1 1 31 HIS HB2 3.625 D 3.1 0.36 1.4475e-01 6374 1 1 1 1 31 HIS HB3 3.482 D 3.04 0.38 2.4477e-01 6374 1 1 1 1 31 HIS HD1 11.249 . 8.68 2.62 3.2682e-01 6374 1 1 1 1 31 HIS HD2 7.3 D 7 0.43 4.8538e-01 6374 1 1 1 1 31 HIS HE1 7.235 D 7.95 0.48 1.3633e-01 6374 1 1 1 1 31 HIS N 121.152 . 119.69 4 7.1474e-01 6374 1 1 1 1 31 HIS ND1 111.13 A 195.02 18.51 5.8388e-06 6374 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 31 HIS CYS 0.41 6374 1 1 1 1 31 HIS HIS 0.31 6374 1 1 1 1 31 HIS TRP 0.26 6374 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6374 _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 6374 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6374 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6374 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6374 _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_