data_AVS_bmrb_pdb_report_17544 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17544 _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 . . 17544 1 1 1 1 20 ASN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17544 1 1 1 1 21 HIS Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17544 1 1 1 2 2 TPO UNSUPPORTED . . . . . . . 17544 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 52.118 . 56.95 2.41 4.4965e-02 17544 1 1 1 1 9 ARG CB 32.644 . 30.66 1.77 2.6233e-01 17544 1 1 1 1 9 ARG CG 25.989 . 27.31 1.65 4.2336e-01 17544 1 1 1 1 9 ARG CD 40.927 . 43.1 1.1 4.8217e-02 17544 1 1 1 1 9 ARG H 8.250 . 8.24 0.6 9.8670e-01 17544 1 1 1 1 9 ARG HA 4.248 . 4.27 0.44 9.6012e-01 17544 1 1 1 1 9 ARG HB2 1.195 . 1.79 0.28 3.3587e-02 17544 1 1 1 1 9 ARG HB3 -0.105 A 1.78 0.28 1.6718e-11 17544 1 1 1 1 9 ARG HG2 1.225 . 1.58 0.27 1.8857e-01 17544 1 1 1 1 9 ARG HG3 0.795 . 1.58 0.27 3.6444e-03 17544 1 1 1 1 9 ARG HD2 2.791 . 3.13 0.23 1.4050e-01 17544 1 1 1 1 9 ARG HD3 2.538 . 3.13 0.22 7.1258e-03 17544 1 1 1 1 9 ARG HE 6.837 . 7.32 0.52 3.5297e-01 17544 1 1 1 1 9 ARG N 125.076 . 120.61 3.9 2.5216e-01 17544 1 1 1 1 20 ASN CA 47.925 . 53.43 1.94 4.5450e-03 17544 1 1 1 1 20 ASN CB 33.269 . 38.66 1.78 2.4565e-03 17544 1 1 1 1 20 ASN H 8.416 . 8.37 0.65 9.4358e-01 17544 1 1 1 1 20 ASN HA 3.527 . 4.7 0.39 2.6324e-03 17544 1 1 1 1 20 ASN HB2 2.332 . 2.8 0.34 1.6868e-01 17544 1 1 1 1 20 ASN HB3 -0.236 A 2.78 0.34 7.2761e-19 17544 1 1 1 1 20 ASN HD21 6.630 . 7.27 0.52 2.1841e-01 17544 1 1 1 1 20 ASN HD22 6.700 . 7.2 0.52 3.3628e-01 17544 1 1 1 1 20 ASN N 123.722 . 119.13 4.42 2.9884e-01 17544 1 1 1 1 21 HIS CA 56.213 . 56.37 2.4 9.4784e-01 17544 1 1 1 1 21 HIS CB 27.520 . 29.95 2.15 2.5838e-01 17544 1 1 1 1 21 HIS H 8.697 . 8.25 0.74 5.4581e-01 17544 1 1 1 1 21 HIS HA 4.069 . 4.62 0.51 2.7997e-01 17544 1 1 1 1 21 HIS HB2 3.093 . 3.12 0.43 9.4993e-01 17544 1 1 1 1 21 HIS HB3 2.893 . 3.11 0.45 6.2965e-01 17544 1 1 1 1 21 HIS HD1 6.276 A 10.14 3.5 2.6959e-01 17544 1 1 1 1 21 HIS HD2 6.669 . 7.08 0.5 4.1108e-01 17544 1 1 1 1 21 HIS HE1 7.101 . 8.08 0.57 8.5880e-02 17544 1 1 1 1 21 HIS N 121.384 . 119.44 4.52 6.6713e-01 17544 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 LYS 0.81 17544 1 1 1 1 9 ARG ARG 0.16 17544 1 1 1 1 20 ASN GLY 0.55 17544 1 1 1 1 20 ASN PRO 0.4 17544 1 1 1 1 20 ASN MET 0.01 17544 1 1 1 1 21 HIS ARG 0.2 17544 1 1 1 1 21 HIS LEU 0.17 17544 1 1 1 1 21 HIS GLN 0.15 17544 1 1 1 1 21 HIS LYS 0.13 17544 1 1 1 1 21 HIS HIS 0.11 17544 1 1 1 1 21 HIS TRP 0.08 17544 1 1 1 1 21 HIS GLU 0.07 17544 1 1 1 1 21 HIS ILE 0.03 17544 1 1 1 1 21 HIS MET 0.01 17544 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17544 _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 17544 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17544 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17544 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17544 _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_