data_AVS_bmrb_pdb_report_7234 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7234 _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 7234 1 1 1 1 2 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 7234 1 1 1 1 104 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 7234 1 1 1 1 117 LYS Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 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 7234 1 1 1 1 2 PHE C 173.943 . 175.49 2.13 4.6766e-01 7234 1 1 1 1 2 PHE CA 55.794 . 58.25 2.73 3.6832e-01 7234 1 1 1 1 2 PHE CB 36.046 . 39.95 2.04 5.5655e-02 7234 1 1 1 1 2 PHE H 5.266 M 8.42 0.74 2.0246e-05 7234 1 1 1 1 2 PHE N 117.375 . 120.69 4.18 4.2774e-01 7234 1 1 1 1 104 ARG C 181.926 M 176.49 2.16 1.1847e-02 7234 1 1 1 1 104 ARG CA 59.349 . 56.95 2.41 3.1952e-01 7234 1 1 1 1 104 ARG CB 28.752 . 30.66 1.77 2.8105e-01 7234 1 1 1 1 104 ARG H 8.215 . 8.24 0.6 9.6676e-01 7234 1 1 1 1 104 ARG N 119.986 . 120.61 3.9 8.7288e-01 7234 1 1 1 1 117 LYS C 178.187 . 176.46 2.05 3.9954e-01 7234 1 1 1 1 117 LYS CA 58.037 . 56.84 2.25 5.9473e-01 7234 1 1 1 1 117 LYS CB 31.274 . 32.83 1.88 4.0786e-01 7234 1 1 1 1 117 LYS H 11.197 S 8.22 0.64 3.2943e-06 7234 1 1 1 1 117 LYS N 136.759 M 121.16 4.11 1.4742e-04 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 7234 1 1 1 1 2 PHE GLU 0.36 7234 1 1 1 1 2 PHE MET 0.17 7234 1 1 1 1 2 PHE TYR 0.12 7234 1 1 1 1 2 PHE LYS 0.09 7234 1 1 1 1 2 PHE ASN 0.07 7234 1 1 1 1 2 PHE PHE 0.05 7234 1 1 1 1 2 PHE GLN 0.04 7234 1 1 1 1 2 PHE ILE 0.02 7234 1 1 1 1 104 ARG TRP 0.17 7234 1 1 1 1 104 ARG ILE 0.16 7234 1 1 1 1 104 ARG LYS 0.14 7234 1 1 1 1 104 ARG GLU 0.13 7234 1 1 1 1 104 ARG GLN 0.11 7234 1 1 1 1 104 ARG HIS 0.1 7234 1 1 1 1 104 ARG ARG 0.08 7234 1 1 1 1 104 ARG VAL 0.01 7234 1 1 1 1 104 ARG LEU 0.01 7234 1 1 1 1 104 ARG MET 0.01 7234 1 1 1 1 117 LYS TRP 0.16 7234 1 1 1 1 117 LYS ARG 0.16 7234 1 1 1 1 117 LYS GLU 0.14 7234 1 1 1 1 117 LYS HIS 0.12 7234 1 1 1 1 117 LYS MET 0.11 7234 1 1 1 1 117 LYS LYS 0.11 7234 1 1 1 1 117 LYS GLN 0.08 7234 1 1 1 1 117 LYS VAL 0.05 7234 1 1 1 1 117 LYS ILE 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7234 _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 7234 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 7234 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7234 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7234 _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_