data_AVS_bmrb_pdb_report_17545 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17545 _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 9 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17545 1 1 1 1 21 ASN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD22 > HA" 0.9966 17545 1 1 1 2 4 TPO UNSUPPORTED . . . . . . . 17545 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 9 ARG CA 51.379 . 56.95 2.41 2.0799e-02 17545 1 1 1 1 9 ARG CB 31.068 . 30.66 1.77 8.1770e-01 17545 1 1 1 1 9 ARG H 8.602 . 8.24 0.6 5.4629e-01 17545 1 1 1 1 9 ARG HA 4.110 . 4.27 0.44 7.1613e-01 17545 1 1 1 1 9 ARG HB2 0.873 . 1.79 0.28 1.0566e-03 17545 1 1 1 1 9 ARG HB3 -0.239 A 1.78 0.28 5.5659e-13 17545 1 1 1 1 9 ARG HG2 0.961 . 1.58 0.27 2.1871e-02 17545 1 1 1 1 9 ARG HG3 1.073 . 1.58 0.27 6.0412e-02 17545 1 1 1 1 9 ARG HD2 2.679 . 3.13 0.23 4.9894e-02 17545 1 1 1 1 9 ARG HD3 2.532 . 3.13 0.22 6.5642e-03 17545 1 1 1 1 9 ARG HE 6.612 . 7.32 0.52 1.7334e-01 17545 1 1 1 1 9 ARG HH21 6.213 . 6.72 0.32 1.1311e-01 17545 1 1 1 1 9 ARG N 126.206 . 120.61 3.9 1.5132e-01 17545 1 1 1 1 9 ARG NE 112.604 . 89.8 12.83 7.5503e-02 17545 1 1 1 1 21 ASN CA 48.161 . 53.43 1.94 6.6080e-03 17545 1 1 1 1 21 ASN CB 35.466 . 38.66 1.78 7.2752e-02 17545 1 1 1 1 21 ASN H 8.074 . 8.37 0.65 6.4883e-01 17545 1 1 1 1 21 ASN HA 4.069 . 4.7 0.39 1.0567e-01 17545 1 1 1 1 21 ASN HB2 1.772 . 2.8 0.34 2.4984e-03 17545 1 1 1 1 21 ASN HB3 -0.948 A 2.78 0.34 5.6484e-28 17545 1 1 1 1 21 ASN HD21 6.383 . 7.27 0.52 8.8051e-02 17545 1 1 1 1 21 ASN HD22 4.050 S 7.2 0.52 1.3809e-09 17545 1 1 1 1 21 ASN N 128.936 . 119.13 4.42 2.6517e-02 17545 1 1 1 1 21 ASN ND2 109.682 . 112.83 2.6 2.2598e-01 17545 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 9 ARG PRO 0.55 17545 1 1 1 1 9 ARG HIS 0.1 17545 1 1 1 1 9 ARG MET 0.1 17545 1 1 1 1 9 ARG ARG 0.07 17545 1 1 1 1 9 ARG TRP 0.05 17545 1 1 1 1 9 ARG GLN 0.03 17545 1 1 1 1 9 ARG LYS 0.03 17545 1 1 1 1 9 ARG GLU 0.02 17545 1 1 1 1 21 ASN GLY 0.75 17545 1 1 1 1 21 ASN PRO 0.12 17545 1 1 1 1 21 ASN ASN 0.08 17545 1 1 1 1 21 ASN MET 0.02 17545 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17545 _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 17545 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17545 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17545 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17545 _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_