data_AVS_bmrb_pdb_report_11328 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11328 _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 13 ILE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11328 1 1 1 1 47 HIS Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11328 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 11328 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 13 ILE C 177.539 . 175.82 1.95 3.7803e-01 11328 1 1 1 1 13 ILE CA 61.972 . 61.59 2.78 8.9071e-01 11328 1 1 1 1 13 ILE CB 36.527 . 38.58 2.09 3.2595e-01 11328 1 1 1 1 13 ILE CG1 27.428 . 27.65 2.32 9.2377e-01 11328 1 1 1 1 13 ILE CG2 17.752 . 17.36 1.6 8.0646e-01 11328 1 1 1 1 13 ILE CD1 10.293 . 13.41 1.91 1.0269e-01 11328 1 1 1 1 13 ILE H 9.029 . 8.26 0.71 2.7876e-01 11328 1 1 1 1 13 ILE HA 4.335 . 4.2 0.56 8.0950e-01 11328 1 1 1 1 13 ILE HB 2.874 A 1.8 0.31 5.3119e-04 11328 1 1 1 1 13 ILE HG12 1.763 . 1.3 0.4 2.4707e-01 11328 1 1 1 1 13 ILE HG13 1.834 . 1.24 0.4 1.3754e-01 11328 1 1 1 1 13 ILE HG21 0.941 . 0.8 0.29 6.2682e-01 11328 1 1 1 1 13 ILE HG22 0.941 . 0.8 0.29 6.2682e-01 11328 1 1 1 1 13 ILE HG23 0.941 . 0.8 0.29 6.2682e-01 11328 1 1 1 1 13 ILE HD11 0.862 . 0.7 0.3 5.8920e-01 11328 1 1 1 1 13 ILE HD12 0.862 . 0.7 0.3 5.8920e-01 11328 1 1 1 1 13 ILE HD13 0.862 . 0.7 0.3 5.8920e-01 11328 1 1 1 1 13 ILE N 126.802 . 121.6 4.72 2.7041e-01 11328 1 1 1 1 47 HIS C 173.541 . 175.19 2.14 4.4097e-01 11328 1 1 1 1 47 HIS CA 56.175 . 56.37 2.4 9.3524e-01 11328 1 1 1 1 47 HIS CB 31.117 . 29.95 2.15 5.8727e-01 11328 1 1 1 1 47 HIS CD2 119.058 . 119.84 3.3 8.1268e-01 11328 1 1 1 1 47 HIS CE1 140.759 A 136.05 3.58 1.8839e-01 11328 1 1 1 1 47 HIS H 8.154 . 8.25 0.74 8.9678e-01 11328 1 1 1 1 47 HIS HA 4.265 . 4.62 0.51 4.8638e-01 11328 1 1 1 1 47 HIS HB2 3.058 . 3.12 0.43 8.8535e-01 11328 1 1 1 1 47 HIS HB3 3.541 . 3.11 0.45 3.3818e-01 11328 1 1 1 1 47 HIS HD2 7.368 . 7.08 0.5 5.6462e-01 11328 1 1 1 1 47 HIS HE1 7.758 . 8.08 0.57 5.7213e-01 11328 1 1 1 1 47 HIS N 121.973 . 119.44 4.52 5.7521e-01 11328 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 13 ILE ILE 0.6 11328 1 1 1 1 13 ILE CYS 0.39 11328 1 1 1 1 47 HIS CYS 0.38 11328 1 1 1 1 47 HIS HIS 0.33 11328 1 1 1 1 47 HIS TRP 0.28 11328 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11328 _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 11328 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11328 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11328 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11328 _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_