data_AVS_bmrb_pdb_report_18613 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18613 _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 6 THR Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 18613 1 1 1 1 37 LYS Anomalous Suspicious Suspicious Suspicious Anomalous Consistent "CB > CG" 0.9963 18613 1 1 1 1 55 ASN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD22 > HA" 0.9966 18613 1 1 1 1 55 ASN . . . . . . "HD22 > HB3" 1.0000 18613 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 6 THR CA 59.693 . 62.22 2.59 3.2923e-01 18613 1 1 1 1 6 THR CB 70.267 . 69.73 1.63 7.4182e-01 18613 1 1 1 1 6 THR H 115.483 A 8.24 0.62 0.0000e+00 18613 1 1 1 1 6 THR HA 4.065 . 4.46 0.48 4.1056e-01 18613 1 1 1 1 6 THR N 8.261 A 115.42 4.75 0.0000e+00 18613 1 1 1 1 37 LYS CA 55.107 . 56.95 2.2 4.0218e-01 18613 1 1 1 1 37 LYS CB 31.593 . 32.79 1.78 5.0128e-01 18613 1 1 1 1 37 LYS CG 36.308 A 24.89 1.13 5.2805e-24 18613 1 1 1 1 37 LYS H 8.234 . 8.19 0.6 9.4154e-01 18613 1 1 1 1 37 LYS HA 4.780 . 4.27 0.44 2.4642e-01 18613 1 1 1 1 37 LYS HB2 1.992 . 1.78 0.25 3.9644e-01 18613 1 1 1 1 37 LYS HB3 1.733 . 1.74 0.27 9.7932e-01 18613 1 1 1 1 37 LYS HG2 1.300 . 1.37 0.26 7.8775e-01 18613 1 1 1 1 37 LYS HD3 1.634 . 1.6 0.22 8.7718e-01 18613 1 1 1 1 37 LYS HE2 3.750 S 2.92 0.19 1.2515e-05 18613 1 1 1 1 37 LYS HE3 3.686 S 2.91 0.2 1.0446e-04 18613 1 1 1 1 37 LYS N 120.732 . 121.05 3.77 9.3278e-01 18613 1 1 1 1 55 ASN CA 53.126 . 53.54 1.88 8.2571e-01 18613 1 1 1 1 55 ASN CB 38.219 . 38.69 1.69 7.8048e-01 18613 1 1 1 1 55 ASN H 8.770 . 8.34 0.63 4.9490e-01 18613 1 1 1 1 55 ASN HA 4.878 . 4.67 0.36 5.6341e-01 18613 1 1 1 1 55 ASN HB2 2.555 . 2.81 0.31 4.1075e-01 18613 1 1 1 1 55 ASN HB3 2.905 . 2.75 0.33 6.3857e-01 18613 1 1 1 1 55 ASN HD22 2.790 A 7.14 0.49 6.8348e-19 18613 1 1 1 1 55 ASN N 122.386 . 118.93 4.03 3.9113e-01 18613 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 6 THR THR 0.99 18613 1 1 1 1 37 LYS CYS 0.35 18613 1 1 1 1 37 LYS GLU 0.33 18613 1 1 1 1 37 LYS MET 0.27 18613 1 1 1 1 37 LYS GLN 0.03 18613 1 1 1 1 55 ASN ASN 0.56 18613 1 1 1 1 55 ASN ASP 0.11 18613 1 1 1 1 55 ASN CYS 0.11 18613 1 1 1 1 55 ASN TYR 0.07 18613 1 1 1 1 55 ASN PHE 0.06 18613 1 1 1 1 55 ASN LEU 0.02 18613 1 1 1 1 55 ASN GLU 0.01 18613 1 1 1 1 55 ASN MET 0.01 18613 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18613 _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 18613 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18613 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18613 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18613 _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_