data_AVS_bmrb_pdb_report_4909 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4909 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4909 1 1 1 1 51 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 4909 1 1 1 1 62 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4909 1 1 1 1 143 ILE Anomalous Suspicious Consistent Consistent Anomalous Indeterminable . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4909 1 1 1 1 51 HIS CA 53.94 . 56.37 2.4 3.1130e-01 4909 1 1 1 1 51 HIS CB 31.59 . 29.95 2.15 4.4559e-01 4909 1 1 1 1 51 HIS H 9.41 . 8.25 0.74 1.1698e-01 4909 1 1 1 1 51 HIS HA 5.50 . 4.62 0.51 8.4439e-02 4909 1 1 1 1 51 HIS HB2 3.31 . 3.12 0.43 6.5859e-01 4909 1 1 1 1 51 HIS HB3 3.13 . 3.11 0.45 9.6455e-01 4909 1 1 1 1 51 HIS N 133.91 M 119.44 4.52 1.3680e-03 4909 1 1 1 1 62 ARG CA 53.94 . 56.95 2.41 2.1168e-01 4909 1 1 1 1 62 ARG CB 28.26 . 30.66 1.77 1.7512e-01 4909 1 1 1 1 62 ARG H 7.90 . 8.24 0.6 5.7094e-01 4909 1 1 1 1 62 ARG HA 4.50 . 4.27 0.44 6.0116e-01 4909 1 1 1 1 62 ARG HB2 1.60 . 1.79 0.28 4.9741e-01 4909 1 1 1 1 62 ARG HG2 0.93 . 1.58 0.27 1.6066e-02 4909 1 1 1 1 62 ARG HG3 -0.51 M 1.58 0.27 9.8839e-15 4909 1 1 1 1 62 ARG HD2 2.92 . 3.13 0.23 3.6122e-01 4909 1 1 1 1 62 ARG HD3 2.78 . 3.13 0.22 1.1163e-01 4909 1 1 1 1 62 ARG N 119.46 . 120.61 3.9 7.6809e-01 4909 1 1 1 1 143 ILE CA 39.67 M 61.59 2.78 3.1481e-15 4909 1 1 1 1 143 ILE H 8.65 . 8.26 0.71 5.8280e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 4909 1 1 1 1 51 HIS MET 0.19 4909 1 1 1 1 51 HIS CYS 0.17 4909 1 1 1 1 51 HIS HIS 0.14 4909 1 1 1 1 51 HIS ARG 0.12 4909 1 1 1 1 51 HIS LYS 0.11 4909 1 1 1 1 51 HIS TRP 0.09 4909 1 1 1 1 51 HIS GLN 0.06 4909 1 1 1 1 51 HIS GLU 0.06 4909 1 1 1 1 62 ARG HIS 0.15 4909 1 1 1 1 62 ARG GLN 0.15 4909 1 1 1 1 62 ARG LYS 0.14 4909 1 1 1 1 62 ARG CYS 0.14 4909 1 1 1 1 62 ARG LEU 0.13 4909 1 1 1 1 62 ARG TRP 0.09 4909 1 1 1 1 62 ARG ARG 0.06 4909 1 1 1 1 62 ARG GLU 0.06 4909 1 1 1 1 62 ARG MET 0.02 4909 1 1 1 1 143 ILE PHE 0.25 4909 1 1 1 1 143 ILE TYR 0.23 4909 1 1 1 1 143 ILE ASN 0.16 4909 1 1 1 1 143 ILE ASP 0.15 4909 1 1 1 1 143 ILE CYS 0.12 4909 1 1 1 1 143 ILE LEU 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4909 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 4909 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 4909 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4909 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4909 _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_