data_AVS_bmrb_pdb_report_16037 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16037 _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 34 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16037 1 1 1 1 89 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16037 1 1 1 2 1 FMN UNSUPPORTED . . . . . . . 16037 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 34 ASN C 178.591 . 175.16 1.76 5.1244e-02 16037 1 1 1 1 34 ASN CA 55.339 . 53.43 1.94 3.2511e-01 16037 1 1 1 1 34 ASN CB 37.226 . 38.66 1.78 4.2046e-01 16037 1 1 1 1 34 ASN H 8.557 . 8.37 0.65 7.7358e-01 16037 1 1 1 1 34 ASN HA 4.279 . 4.7 0.39 2.8037e-01 16037 1 1 1 1 34 ASN HB2 2.671 . 2.8 0.34 7.0438e-01 16037 1 1 1 1 34 ASN HB3 3.400 . 2.78 0.34 6.8223e-02 16037 1 1 1 1 34 ASN HD21 7.096 . 7.27 0.52 7.3792e-01 16037 1 1 1 1 34 ASN HD22 6.960 . 7.2 0.52 6.4441e-01 16037 1 1 1 1 34 ASN N 116.821 . 119.13 4.42 6.0139e-01 16037 1 1 1 1 34 ASN ND2 103.316 A 112.83 2.6 2.5297e-04 16037 1 1 1 1 89 ARG C 176.860 . 176.49 2.16 8.6399e-01 16037 1 1 1 1 89 ARG CA 57.241 . 56.95 2.41 9.0389e-01 16037 1 1 1 1 89 ARG CB 30.678 . 30.66 1.77 9.9189e-01 16037 1 1 1 1 89 ARG CG 28.929 . 27.31 1.65 3.2649e-01 16037 1 1 1 1 89 ARG CD 43.673 . 43.1 1.1 6.0243e-01 16037 1 1 1 1 89 ARG H 11.667 A 8.24 0.6 1.1188e-08 16037 1 1 1 1 89 ARG HA 4.146 . 4.27 0.44 7.7808e-01 16037 1 1 1 1 89 ARG HB2 0.802 S 1.79 0.28 4.1781e-04 16037 1 1 1 1 89 ARG HB3 1.177 . 1.78 0.28 3.1274e-02 16037 1 1 1 1 89 ARG HG2 1.361 . 1.58 0.27 4.1730e-01 16037 1 1 1 1 89 ARG HG3 1.361 . 1.58 0.27 4.1730e-01 16037 1 1 1 1 89 ARG HD2 2.621 . 3.13 0.23 2.6895e-02 16037 1 1 1 1 89 ARG HD3 2.741 . 3.13 0.22 7.7031e-02 16037 1 1 1 1 89 ARG HE 7.508 . 7.32 0.52 7.1770e-01 16037 1 1 1 1 89 ARG N 129.281 . 120.61 3.9 2.6193e-02 16037 1 1 1 1 89 ARG NE 85.729 . 89.8 12.83 7.5101e-01 16037 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 34 ASN CYS 0.27 16037 1 1 1 1 34 ASN GLU 0.17 16037 1 1 1 1 34 ASN ASN 0.16 16037 1 1 1 1 34 ASN TYR 0.15 16037 1 1 1 1 34 ASN PHE 0.08 16037 1 1 1 1 34 ASN MET 0.05 16037 1 1 1 1 34 ASN ASP 0.03 16037 1 1 1 1 34 ASN ILE 0.02 16037 1 1 1 1 34 ASN LYS 0.01 16037 1 1 1 1 89 ARG CYS 0.38 16037 1 1 1 1 89 ARG ARG 0.38 16037 1 1 1 1 89 ARG LYS 0.12 16037 1 1 1 1 89 ARG GLY 0.1 16037 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16037 _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 16037 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16037 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16037 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16037 _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_