data_AVS_bmrb_pdb_report_6025 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6025 _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 6025 1 1 1 1 78 ASN Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 0.9995 6025 1 1 1 1 81 ARG Anomalous Suspicious Consistent Consistent Anomalous Consistent . . 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 6025 1 1 1 1 78 ASN C 176.08 . 175.16 1.76 6.0116e-01 6025 1 1 1 1 78 ASN CA 41.313 M 53.43 1.94 4.2143e-10 6025 1 1 1 1 78 ASN CB 55.09 M 38.66 1.78 2.6978e-20 6025 1 1 1 1 78 ASN H 7.976 . 8.37 0.65 5.4441e-01 6025 1 1 1 1 78 ASN HA 4.588 . 4.7 0.39 7.7397e-01 6025 1 1 1 1 78 ASN N 127.545 . 119.13 4.42 5.6930e-02 6025 1 1 1 1 81 ARG C 176.259 . 176.49 2.16 9.1483e-01 6025 1 1 1 1 81 ARG CA 54.587 . 56.95 2.41 3.2684e-01 6025 1 1 1 1 81 ARG CB 41.617 M 30.66 1.77 6.0013e-10 6025 1 1 1 1 81 ARG H 8.44 . 8.24 0.6 7.3888e-01 6025 1 1 1 1 81 ARG HA 4.648 . 4.27 0.44 3.9029e-01 6025 1 1 1 1 81 ARG N 123.648 . 120.61 3.9 4.3600e-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 6025 1 1 1 1 78 ASN ASP 0.23 6025 1 1 1 1 78 ASN LEU 0.21 6025 1 1 1 1 78 ASN LYS 0.17 6025 1 1 1 1 78 ASN CYS 0.11 6025 1 1 1 1 78 ASN PHE 0.1 6025 1 1 1 1 78 ASN TYR 0.08 6025 1 1 1 1 78 ASN ARG 0.05 6025 1 1 1 1 81 ARG ASP 0.25 6025 1 1 1 1 81 ARG LEU 0.23 6025 1 1 1 1 81 ARG LYS 0.17 6025 1 1 1 1 81 ARG CYS 0.11 6025 1 1 1 1 81 ARG PHE 0.08 6025 1 1 1 1 81 ARG TYR 0.06 6025 1 1 1 1 81 ARG ASN 0.06 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6025 _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 6025 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 6025 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6025 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6025 _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_