data_AVS_bmrb_pdb_report_15467 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15467 _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 15467 1 1 1 1 2 PHE Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15467 1 1 1 1 104 ARG Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15467 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 15467 1 1 1 1 2 PHE C 173.830 . 175.49 2.13 4.3578e-01 15467 1 1 1 1 2 PHE CB 35.984 . 39.95 2.04 5.1881e-02 15467 1 1 1 1 2 PHE H 5.292 M 8.42 0.74 2.3680e-05 15467 1 1 1 1 2 PHE N 117.349 . 120.69 4.18 4.2413e-01 15467 1 1 1 1 104 ARG C 181.907 M 176.49 2.16 1.2146e-02 15467 1 1 1 1 104 ARG CB 28.722 . 30.66 1.77 2.7355e-01 15467 1 1 1 1 104 ARG H 8.180 . 8.24 0.6 9.2034e-01 15467 1 1 1 1 104 ARG N 119.941 . 120.61 3.9 8.6380e-01 15467 1 1 1 1 117 LYS C 177.872 . 176.46 2.05 4.9096e-01 15467 1 1 1 1 117 LYS CB 31.187 . 32.83 1.88 3.8215e-01 15467 1 1 1 1 117 LYS H 11.040 S 8.22 0.64 1.0518e-05 15467 1 1 1 1 117 LYS N 136.871 M 121.16 4.11 1.3204e-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 15467 1 1 1 1 2 PHE GLU 0.5 15467 1 1 1 1 2 PHE ILE 0.1 15467 1 1 1 1 2 PHE MET 0.08 15467 1 1 1 1 2 PHE TYR 0.07 15467 1 1 1 1 2 PHE ASN 0.06 15467 1 1 1 1 2 PHE LYS 0.04 15467 1 1 1 1 2 PHE VAL 0.04 15467 1 1 1 1 2 PHE PHE 0.02 15467 1 1 1 1 2 PHE GLN 0.02 15467 1 1 1 1 104 ARG LYS 0.2 15467 1 1 1 1 104 ARG GLN 0.18 15467 1 1 1 1 104 ARG ILE 0.13 15467 1 1 1 1 104 ARG HIS 0.12 15467 1 1 1 1 104 ARG TRP 0.1 15467 1 1 1 1 104 ARG GLU 0.09 15467 1 1 1 1 104 ARG ARG 0.05 15467 1 1 1 1 104 ARG PRO 0.03 15467 1 1 1 1 104 ARG LEU 0.02 15467 1 1 1 1 104 ARG MET 0.01 15467 1 1 1 1 117 LYS ARG 0.15 15467 1 1 1 1 117 LYS PRO 0.13 15467 1 1 1 1 117 LYS TRP 0.12 15467 1 1 1 1 117 LYS HIS 0.11 15467 1 1 1 1 117 LYS GLU 0.1 15467 1 1 1 1 117 LYS MET 0.1 15467 1 1 1 1 117 LYS VAL 0.08 15467 1 1 1 1 117 LYS LYS 0.07 15467 1 1 1 1 117 LYS GLN 0.05 15467 1 1 1 1 117 LYS ILE 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15467 _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 15467 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 15467 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15467 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15467 _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_