data_AVS_bmrb_pdb_report_5393 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5393 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5393 1 1 1 1 14 THR Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5393 1 1 1 1 80 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5393 1 1 1 1 14 THR CA 69.387 M 62.15 2.72 7.7987e-03 5393 1 1 1 1 14 THR CB 66.214 . 69.64 1.7 4.3874e-02 5393 1 1 1 1 14 THR CG2 22.595 . 21.44 1.39 4.0601e-01 5393 1 1 1 1 14 THR H 8.023 . 8.27 0.62 6.9034e-01 5393 1 1 1 1 14 THR HA 4.091 . 4.48 0.5 4.3657e-01 5393 1 1 1 1 14 THR HB 4.516 . 4.17 0.37 3.4972e-01 5393 1 1 1 1 14 THR HG2 1.281 . 1.16 0.28 6.6564e-01 5393 1 1 1 1 14 THR N 119.258 . 115.7 5.05 4.8109e-01 5393 1 1 1 1 80 ASN C 180.234 M 175.16 1.76 3.9396e-03 5393 1 1 1 1 80 ASN CA 53.534 . 53.43 1.94 9.5725e-01 5393 1 1 1 1 80 ASN CB 40.785 . 38.66 1.78 2.3255e-01 5393 1 1 1 1 80 ASN H 7.671 . 8.37 0.65 2.8220e-01 5393 1 1 1 1 80 ASN HA 5.285 . 4.7 0.39 1.3361e-01 5393 1 1 1 1 80 ASN HB2 2.630 . 2.8 0.34 6.1707e-01 5393 1 1 1 1 80 ASN HB3 3.004 . 2.78 0.34 5.1001e-01 5393 1 1 1 1 80 ASN N 123.048 . 119.13 4.42 3.7539e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 5393 1 1 1 1 14 THR THR 0.99 5393 1 1 1 1 80 ASN ASP 0.36 5393 1 1 1 1 80 ASN ASN 0.19 5393 1 1 1 1 80 ASN LEU 0.17 5393 1 1 1 1 80 ASN PHE 0.08 5393 1 1 1 1 80 ASN LYS 0.08 5393 1 1 1 1 80 ASN TYR 0.07 5393 1 1 1 1 80 ASN ARG 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5393 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 5393 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 5393 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5393 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5393 _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_