data_AVS_bmrb_pdb_report_17232 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17232 _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 71 ASN Anomalous Consistent Suspicious Anomalous Consistent Suspicious "HD22 > HA" 0.9966 17232 1 1 1 1 71 ASN . . . . . . "HD22 > HB2" 1.0000 17232 1 1 1 1 90 GLU Anomalous Consistent Consistent Anomalous Suspicious Consistent . . 17232 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 17232 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 71 ASN CA 53.675 . 53.54 1.88 9.4275e-01 17232 1 1 1 1 71 ASN CB 38.944 . 38.69 1.69 8.8053e-01 17232 1 1 1 1 71 ASN H 8.336 . 8.34 0.63 9.9493e-01 17232 1 1 1 1 71 ASN HA 4.609 . 4.67 0.36 8.6545e-01 17232 1 1 1 1 71 ASN HB2 3.433 . 2.81 0.31 4.4465e-02 17232 1 1 1 1 71 ASN HB3 2.165 . 2.75 0.33 7.6274e-02 17232 1 1 1 1 71 ASN HD21 5.149 S 7.35 0.48 4.5308e-06 17232 1 1 1 1 71 ASN HD22 2.578 A 7.14 0.49 1.2759e-20 17232 1 1 1 1 71 ASN N 121.213 . 118.93 4.03 5.7105e-01 17232 1 1 1 1 71 ASN ND2 104.255 S 112.75 2.23 1.3929e-04 17232 1 1 1 1 90 GLU CA 55.450 . 57.32 2.09 3.7093e-01 17232 1 1 1 1 90 GLU CB 31.450 . 30.01 1.72 4.0248e-01 17232 1 1 1 1 90 GLU CG 31.860 S 36.11 1.19 3.5504e-04 17232 1 1 1 1 90 GLU H 9.506 . 8.33 0.59 4.6237e-02 17232 1 1 1 1 90 GLU HA 4.446 . 4.25 0.41 6.3262e-01 17232 1 1 1 1 90 GLU HB2 1.060 S 2.02 0.21 4.8441e-06 17232 1 1 1 1 90 GLU HB3 1.469 . 1.99 0.23 2.3499e-02 17232 1 1 1 1 90 GLU HG2 0.555 S 2.27 0.21 3.1703e-16 17232 1 1 1 1 90 GLU HG3 0.555 A 2.25 0.22 1.3131e-14 17232 1 1 1 1 90 GLU N 127.275 . 120.67 3.48 5.7698e-02 17232 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 71 ASN ASN 0.44 17232 1 1 1 1 71 ASN ASP 0.19 17232 1 1 1 1 71 ASN CYS 0.09 17232 1 1 1 1 71 ASN TYR 0.09 17232 1 1 1 1 71 ASN PHE 0.09 17232 1 1 1 1 71 ASN LEU 0.05 17232 1 1 1 1 90 GLU MET 0.47 17232 1 1 1 1 90 GLU CYS 0.36 17232 1 1 1 1 90 GLU GLN 0.1 17232 1 1 1 1 90 GLU LYS 0.05 17232 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17232 _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 17232 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17232 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17232 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17232 _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_