data_AVS_bmrb_pdb_report_17540 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17540 _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 22 ASN Anomalous Indeterminable Suspicious Anomalous Indeterminable Anomalous "H > HA" 1.0000 17540 1 1 1 1 22 ASN . . . . . . "H > HB2" 1.0000 17540 1 1 1 1 22 ASN . . . . . . "H > HB3" 1.0000 17540 1 1 1 1 22 ASN . . . . . . "HA > HB2" 1.0000 17540 1 1 1 1 22 ASN . . . . . . "HA > HB3" 1.0000 17540 1 1 1 1 22 ASN . . . . . . "HD22 > HA" 0.9966 17540 1 1 1 1 22 ASN . . . . . . "HD21 > HB2" 1.0000 17540 1 1 1 1 22 ASN . . . . . . "HD22 > HB2" 1.0000 17540 1 1 1 1 22 ASN . . . . . . "HD21 > HB3" 1.0000 17540 1 1 1 1 22 ASN . . . . . . "HD22 > HB3" 1.0000 17540 1 1 1 1 23 HIS Anomalous Indeterminable Suspicious Anomalous Indeterminable Indeterminable "H > HB2" 0.9986 17540 1 1 1 1 23 HIS . . . . . . "HA > HB2" 0.9926 17540 1 1 1 1 24 ILE Anomalous Suspicious Suspicious Anomalous Anomalous Indeterminable "HA > HB" 0.9982 17540 1 1 1 2 6 SEP UNSUPPORTED . . . . . . . 17540 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 22 ASN H 0.971 A 8.34 0.63 1.3231e-31 17540 1 1 1 1 22 ASN HA 2.478 S 4.67 0.36 1.1370e-09 17540 1 1 1 1 22 ASN HB2 8.739 A 2.81 0.31 1.5397e-81 17540 1 1 1 1 22 ASN HB3 6.954 A 2.75 0.33 3.5716e-37 17540 1 1 1 1 22 ASN HD21 3.735 S 7.35 0.48 5.0257e-14 17540 1 1 1 1 22 ASN HD22 1.535 A 7.14 0.49 2.6764e-30 17540 1 1 1 1 22 ASN N 1.473 A 118.93 4.03 0.0000e+00 17540 1 1 1 1 23 HIS H 1.370 A 8.24 0.68 5.3610e-24 17540 1 1 1 1 23 HIS HA 1.065 A 4.61 0.43 1.6629e-16 17540 1 1 1 1 23 HIS HB2 6.940 S 3.1 0.36 1.4576e-26 17540 1 1 1 1 23 HIS HD1 3.762 A 8.68 2.62 6.0505e-02 17540 1 1 1 1 23 HIS HE1 0.487 A 7.95 0.48 1.6437e-54 17540 1 1 1 1 24 ILE CA 4.222 A 61.61 2.68 0.0000e+00 17540 1 1 1 1 24 ILE CB 2.376 A 38.63 2.02 5.0177e-72 17540 1 1 1 1 24 ILE H 7.934 . 8.28 0.68 6.1088e-01 17540 1 1 1 1 24 ILE HA 2.513 . 4.18 0.56 2.9129e-03 17540 1 1 1 1 24 ILE HB 7.178 A 1.78 0.29 2.4839e-77 17540 1 1 1 1 24 ILE HG21 0.627 . 0.77 0.27 5.9637e-01 17540 1 1 1 1 24 ILE HG22 1.303 . 0.77 0.27 4.8373e-02 17540 1 1 1 1 24 ILE HG23 0.969 . 0.77 0.27 4.6110e-01 17540 1 1 1 1 24 ILE HD11 0.753 . 0.68 0.29 8.0125e-01 17540 1 1 1 1 24 ILE HD12 0.753 . 0.68 0.29 8.0125e-01 17540 1 1 1 1 24 ILE HD13 0.753 . 0.68 0.29 8.0125e-01 17540 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 24 ILE MET 0.99 17540 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17540 _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 17540 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17540 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17540 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17540 _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_