data_AVS_bmrb_pdb_report_17518 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17518 _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 21 HIS Anomalous Consistent Consistent Consistent Anomalous Suspicious . . 17518 1 1 1 1 77 TYR Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 17518 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 21 HIS C 174.947 . 175.25 1.97 8.7776e-01 17518 1 1 1 1 21 HIS CA 53.801 . 56.52 2.31 2.3917e-01 17518 1 1 1 1 21 HIS CB 35.001 . 30.24 2.07 2.1448e-02 17518 1 1 1 1 21 HIS CG 139.557 A 131.52 3.27 1.3979e-02 17518 1 1 1 1 21 HIS CD2 117.108 . 120.49 3.42 3.2272e-01 17518 1 1 1 1 21 HIS CE1 139.675 . 137.71 2.12 3.5399e-01 17518 1 1 1 1 21 HIS H 8.843 . 8.24 0.68 3.7521e-01 17518 1 1 1 1 21 HIS HA 5.375 . 4.61 0.43 7.5228e-02 17518 1 1 1 1 21 HIS HB2 3.192 . 3.1 0.36 7.9829e-01 17518 1 1 1 1 21 HIS HB3 2.718 . 3.04 0.38 3.9679e-01 17518 1 1 1 1 21 HIS HD1 6.354 . 8.68 2.62 3.7466e-01 17518 1 1 1 1 21 HIS HE1 7.816 . 7.95 0.48 7.8012e-01 17518 1 1 1 1 21 HIS N 133.346 S 119.69 4 6.4017e-04 17518 1 1 1 1 77 TYR C 175.074 . 175.4 1.99 8.6987e-01 17518 1 1 1 1 77 TYR CA 57.671 . 58.13 2.51 8.5490e-01 17518 1 1 1 1 77 TYR CB 41.785 . 39.32 2.16 2.5379e-01 17518 1 1 1 1 77 TYR CD2 132.388 . 132.73 1.3 7.9249e-01 17518 1 1 1 1 77 TYR CE2 118.052 . 117.9 1.18 8.9751e-01 17518 1 1 1 1 77 TYR CZ 105.248 A 156.76 1.99 0.0000e+00 17518 1 1 1 1 77 TYR H 9.133 . 8.32 0.73 2.6541e-01 17518 1 1 1 1 77 TYR HA 4.793 . 4.63 0.56 7.7100e-01 17518 1 1 1 1 77 TYR HB2 2.76 . 2.91 0.37 6.8518e-01 17518 1 1 1 1 77 TYR HB3 2.688 . 2.84 0.39 6.9673e-01 17518 1 1 1 1 77 TYR HD2 7.202 . 6.93 0.3 3.6458e-01 17518 1 1 1 1 77 TYR HE2 6.889 . 6.71 0.23 4.3642e-01 17518 1 1 1 1 77 TYR N 118.076 . 120.52 4.2 5.6063e-01 17518 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 21 HIS HIS 0.99 17518 1 1 1 1 77 TYR GLY 0.99 17518 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17518 _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 17518 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17518 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17518 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17518 _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_