data_AVS_bmrb_pdb_report_6519 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6519 _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 75 ASN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HB3" 1.0000 6519 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 75 ASN CA 54.651 . 53.54 1.88 5.5455e-01 6519 1 1 1 1 75 ASN CB 40.333 . 38.69 1.69 3.3096e-01 6519 1 1 1 1 75 ASN H 7.900 . 8.34 0.63 4.8492e-01 6519 1 1 1 1 75 ASN HA 4.367 . 4.67 0.36 3.9997e-01 6519 1 1 1 1 75 ASN HB2 2.862 . 2.81 0.31 8.6679e-01 6519 1 1 1 1 75 ASN HB3 4.766 A 2.75 0.33 1.0020e-09 6519 1 1 1 1 75 ASN HD21 7.669 . 7.35 0.48 5.0632e-01 6519 1 1 1 1 75 ASN HD22 6.957 . 7.14 0.49 7.0880e-01 6519 1 1 1 1 75 ASN N 117.804 . 118.93 4.03 7.7993e-01 6519 1 1 1 1 75 ASN ND2 114.416 . 112.75 2.23 4.5501e-01 6519 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 75 ASN ASP 0.3 6519 1 1 1 1 75 ASN ASN 0.16 6519 1 1 1 1 75 ASN LEU 0.16 6519 1 1 1 1 75 ASN PHE 0.13 6519 1 1 1 1 75 ASN TYR 0.11 6519 1 1 1 1 75 ASN CYS 0.07 6519 1 1 1 1 75 ASN LYS 0.03 6519 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6519 _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 6519 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6519 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6519 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6519 _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_