data_AVS_bmrb_pdb_report_11352 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11352 _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 19 CYS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11352 1 1 1 1 34 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11352 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 11352 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 19 CYS C 175.346 . 174.78 1.99 7.7609e-01 11352 1 1 1 1 19 CYS CA 59.253 . 57.43 3.41 5.9292e-01 11352 1 1 1 1 19 CYS CB 30.161 . 34.15 6.77 5.5572e-01 11352 1 1 1 1 19 CYS H 7.129 . 8.42 0.66 5.0458e-02 11352 1 1 1 1 19 CYS HA 3.670 . 4.73 0.57 6.2935e-02 11352 1 1 1 1 19 CYS HB2 4.679 A 2.95 0.43 5.7969e-05 11352 1 1 1 1 19 CYS HB3 2.358 . 2.98 0.45 1.6690e-01 11352 1 1 1 1 19 CYS N 115.669 . 119.95 4.79 3.7146e-01 11352 1 1 1 1 34 ASN C 176.374 . 175.16 1.76 4.9034e-01 11352 1 1 1 1 34 ASN CA 53.080 . 53.43 1.94 8.5683e-01 11352 1 1 1 1 34 ASN CB 37.772 . 38.66 1.78 6.1787e-01 11352 1 1 1 1 34 ASN H 8.830 . 8.37 0.65 4.7914e-01 11352 1 1 1 1 34 ASN HA 4.982 . 4.7 0.39 4.6963e-01 11352 1 1 1 1 34 ASN HB2 3.964 S 2.8 0.34 6.1814e-04 11352 1 1 1 1 34 ASN HB3 2.732 . 2.78 0.34 8.8773e-01 11352 1 1 1 1 34 ASN HD21 9.307 A 7.27 0.52 8.9543e-05 11352 1 1 1 1 34 ASN HD22 6.988 . 7.2 0.52 6.8350e-01 11352 1 1 1 1 34 ASN N 121.709 . 119.13 4.42 5.5957e-01 11352 1 1 1 1 34 ASN ND2 116.537 . 112.83 2.6 1.5393e-01 11352 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 19 CYS TRP 0.16 11352 1 1 1 1 19 CYS CYS 0.14 11352 1 1 1 1 19 CYS GLU 0.14 11352 1 1 1 1 19 CYS ARG 0.12 11352 1 1 1 1 19 CYS HIS 0.09 11352 1 1 1 1 19 CYS GLN 0.08 11352 1 1 1 1 19 CYS ILE 0.07 11352 1 1 1 1 19 CYS LYS 0.06 11352 1 1 1 1 19 CYS VAL 0.04 11352 1 1 1 1 19 CYS MET 0.03 11352 1 1 1 1 34 ASN ASN 0.47 11352 1 1 1 1 34 ASN CYS 0.21 11352 1 1 1 1 34 ASN ASP 0.09 11352 1 1 1 1 34 ASN TYR 0.07 11352 1 1 1 1 34 ASN PHE 0.05 11352 1 1 1 1 34 ASN GLU 0.03 11352 1 1 1 1 34 ASN MET 0.02 11352 1 1 1 1 34 ASN LEU 0.01 11352 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11352 _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.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 11352 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11352 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11352 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11352 _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_