data_AVS_bmrb_pdb_report_17808 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17808 _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 44 HIS Anomalous Suspicious Consistent Suspicious Anomalous Consistent . . 17808 1 1 1 1 67 ARG Anomalous Consistent Consistent Anomalous Consistent Anomalous . . 17808 1 1 1 3 1 ZN UNSUPPORTED . . . . . . . 17808 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 44 HIS C 180.369 A 175.19 2.14 1.5517e-02 17808 1 1 1 1 44 HIS CA 58.792 . 56.37 2.4 3.1289e-01 17808 1 1 1 1 44 HIS CB 31.074 . 29.95 2.15 6.0112e-01 17808 1 1 1 1 44 HIS CD2 137.809 S 119.84 3.3 5.1761e-08 17808 1 1 1 1 44 HIS CE1 139.019 . 136.05 3.58 4.0692e-01 17808 1 1 1 1 44 HIS H 9.411 . 8.25 0.74 1.1667e-01 17808 1 1 1 1 44 HIS HA 4.640 . 4.62 0.51 9.6872e-01 17808 1 1 1 1 44 HIS HB2 3.443 . 3.12 0.43 4.5255e-01 17808 1 1 1 1 44 HIS HB3 1.385 S 3.11 0.45 1.2642e-04 17808 1 1 1 1 44 HIS HD1 7.193 . 10.14 3.5 3.9979e-01 17808 1 1 1 1 44 HIS HD2 6.115 . 7.08 0.5 5.3607e-02 17808 1 1 1 1 44 HIS HE1 7.762 . 8.08 0.57 5.7692e-01 17808 1 1 1 1 44 HIS N 124.101 . 119.44 4.52 3.0245e-01 17808 1 1 1 1 67 ARG C 175.223 . 176.49 2.16 5.5749e-01 17808 1 1 1 1 67 ARG CA 56.343 . 56.95 2.41 8.0114e-01 17808 1 1 1 1 67 ARG CB 30.723 . 30.66 1.77 9.7161e-01 17808 1 1 1 1 67 ARG CG 26.212 . 27.31 1.65 5.0576e-01 17808 1 1 1 1 67 ARG CD 43.499 . 43.1 1.1 7.1681e-01 17808 1 1 1 1 67 ARG H 7.867 . 8.24 0.6 5.3416e-01 17808 1 1 1 1 67 ARG HA 3.930 . 4.27 0.44 4.3968e-01 17808 1 1 1 1 67 ARG HB2 1.631 . 1.79 0.28 5.7013e-01 17808 1 1 1 1 67 ARG HB3 1.551 . 1.78 0.28 4.1344e-01 17808 1 1 1 1 67 ARG HG2 1.482 . 1.58 0.27 7.1663e-01 17808 1 1 1 1 67 ARG HG3 1.433 . 1.58 0.27 5.8614e-01 17808 1 1 1 1 67 ARG HD2 3.011 . 3.13 0.23 6.0488e-01 17808 1 1 1 1 67 ARG HH11 9.038 A 6.74 0.31 1.2356e-13 17808 1 1 1 1 67 ARG HH12 9.038 A 6.75 0.32 8.6778e-13 17808 1 1 1 1 67 ARG HH21 9.184 A 6.72 0.32 1.3607e-14 17808 1 1 1 1 67 ARG HH22 9.184 A 6.72 0.33 8.2252e-14 17808 1 1 1 1 67 ARG N 117.649 . 120.61 3.9 4.4771e-01 17808 1 1 1 1 67 ARG NH2 114.331 A 75.84 11.44 7.6655e-04 17808 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 44 HIS CYS 0.99 17808 1 1 1 1 67 ARG ARG 0.42 17808 1 1 1 1 67 ARG CYS 0.36 17808 1 1 1 1 67 ARG LYS 0.11 17808 1 1 1 1 67 ARG GLY 0.08 17808 1 1 1 1 67 ARG LEU 0.01 17808 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17808 _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 17808 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17808 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17808 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17808 _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_