data_AVS_bmrb_pdb_report_18667 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18667 _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 1 162 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18667 1 1 1 1 199 ALA Anomalous Consistent Suspicious Anomalous Consistent Indeterminable "H > HA" 0.9998 18667 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 1 162 ASN C 176.120 . 175.27 1.79 6.3489e-01 18667 1 1 1 1 162 ASN CA 51.000 . 53.54 1.88 1.7667e-01 18667 1 1 1 1 162 ASN CB 40.213 . 38.69 1.69 3.6749e-01 18667 1 1 1 1 162 ASN H 9.265 . 8.34 0.63 1.4204e-01 18667 1 1 1 1 162 ASN HA 6.330 S 4.67 0.36 4.0052e-06 18667 1 1 1 1 162 ASN HB2 4.130 S 2.81 0.31 2.0620e-05 18667 1 1 1 1 162 ASN HB3 2.900 . 2.75 0.33 6.4944e-01 18667 1 1 1 1 162 ASN HD21 10.584 A 7.35 0.48 1.6113e-11 18667 1 1 1 1 162 ASN HD22 10.584 S 7.14 0.49 2.0866e-12 18667 1 1 1 1 162 ASN N 123.374 . 118.93 4.03 2.7014e-01 18667 1 1 1 1 162 ASN ND2 113.891 . 112.75 2.23 6.0889e-01 18667 1 1 1 1 199 ALA CA 51.800 . 53.14 1.98 4.9855e-01 18667 1 1 1 1 199 ALA CB 19.750 . 19.01 1.83 6.8594e-01 18667 1 1 1 1 199 ALA H -0.914 A 8.2 0.6 4.1192e-52 18667 1 1 1 1 199 ALA HA 4.638 . 4.26 0.44 3.9029e-01 18667 1 1 1 1 199 ALA HB1 1.766 . 1.35 0.26 1.0960e-01 18667 1 1 1 1 199 ALA HB2 1.766 . 1.35 0.26 1.0960e-01 18667 1 1 1 1 199 ALA HB3 1.766 . 1.35 0.26 1.0960e-01 18667 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 1 162 ASN ASN 0.46 18667 1 1 1 1 162 ASN ASP 0.3 18667 1 1 1 1 162 ASN LEU 0.08 18667 1 1 1 1 162 ASN CYS 0.06 18667 1 1 1 1 162 ASN PHE 0.03 18667 1 1 1 1 162 ASN TYR 0.02 18667 1 1 1 1 199 ALA ALA 0.92 18667 1 1 1 1 199 ALA MET 0.04 18667 1 1 1 1 199 ALA CYS 0.01 18667 1 1 1 1 199 ALA LEU 0.01 18667 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18667 _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 18667 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18667 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18667 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18667 _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_