data_AVS_bmrb_pdb_report_6558 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6558 _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 6558 1 1 1 1 3 ARG Anomalous Consistent Consistent Duplicate Consistent Anomalous . . 6558 1 1 1 1 4 ARG Anomalous Consistent Consistent Duplicate Consistent Anomalous . . 6558 1 1 1 1 28 ASN Anomalous Consistent Consistent Anomalous Consistent 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 6558 1 1 1 1 3 ARG CA 56.418 . 56.95 2.41 8.2529e-01 6558 1 1 1 1 3 ARG CB 30.831 . 30.66 1.77 9.2304e-01 6558 1 1 1 1 3 ARG CG 27.149 . 27.31 1.65 9.2227e-01 6558 1 1 1 1 3 ARG CD 43.381 . 43.1 1.1 7.9837e-01 6558 1 1 1 1 3 ARG H 8.531 . 8.24 0.6 6.2768e-01 6558 1 1 1 1 3 ARG HA 4.343 D 4.27 0.44 8.6823e-01 6558 1 1 1 1 3 ARG HB2 1.839 D 1.79 0.28 8.6108e-01 6558 1 1 1 1 3 ARG HB3 1.772 D 1.78 0.28 9.7721e-01 6558 1 1 1 1 3 ARG HG2 1.630 D 1.58 0.27 8.5308e-01 6558 1 1 1 1 3 ARG HD2 3.191 D 3.13 0.23 7.9084e-01 6558 1 1 1 1 3 ARG HE 7.164 . 7.32 0.52 7.6418e-01 6558 1 1 1 1 3 ARG N 123.495 . 120.61 3.9 4.5946e-01 6558 1 1 1 1 3 ARG NE 134.337 M 89.8 12.83 5.1791e-04 6558 1 1 1 1 4 ARG CA 56.112 . 56.95 2.41 7.2805e-01 6558 1 1 1 1 4 ARG CB 30.730 . 30.66 1.77 9.6845e-01 6558 1 1 1 1 4 ARG CG 27.149 . 27.31 1.65 9.2227e-01 6558 1 1 1 1 4 ARG CD 43.381 . 43.1 1.1 7.9837e-01 6558 1 1 1 1 4 ARG H 8.432 . 8.24 0.6 7.4897e-01 6558 1 1 1 1 4 ARG HA 4.309 D 4.27 0.44 9.2937e-01 6558 1 1 1 1 4 ARG HB2 1.829 D 1.79 0.28 8.8922e-01 6558 1 1 1 1 4 ARG HB3 1.749 D 1.78 0.28 9.1184e-01 6558 1 1 1 1 4 ARG HG2 1.631 D 1.58 0.27 8.5018e-01 6558 1 1 1 1 4 ARG HD2 3.187 D 3.13 0.23 8.0427e-01 6558 1 1 1 1 4 ARG HE 7.164 . 7.32 0.52 7.6418e-01 6558 1 1 1 1 4 ARG N 123.215 . 120.61 3.9 5.0417e-01 6558 1 1 1 1 4 ARG NE 134.337 M 89.8 12.83 5.1791e-04 6558 1 1 1 1 28 ASN CA 51.545 . 53.43 1.94 3.3123e-01 6558 1 1 1 1 28 ASN CB 38.132 . 38.66 1.78 7.6675e-01 6558 1 1 1 1 28 ASN H 8.205 . 8.37 0.65 7.9961e-01 6558 1 1 1 1 28 ASN HA 4.418 D 4.7 0.39 4.6963e-01 6558 1 1 1 1 28 ASN HB2 2.275 D 2.8 0.34 1.2256e-01 6558 1 1 1 1 28 ASN HB3 0.101 M 2.78 0.34 3.2893e-15 6558 1 1 1 1 28 ASN HD21 6.662 . 7.27 0.52 2.4231e-01 6558 1 1 1 1 28 ASN N 130.256 . 119.13 4.42 1.1829e-02 6558 1 1 1 1 28 ASN ND2 111.696 . 112.83 2.6 6.6272e-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 6558 1 1 1 1 3 ARG ARG 0.69 6558 1 1 1 1 3 ARG LYS 0.18 6558 1 1 1 1 3 ARG GLY 0.11 6558 1 1 1 1 4 ARG ARG 0.7 6558 1 1 1 1 4 ARG LYS 0.17 6558 1 1 1 1 4 ARG GLY 0.12 6558 1 1 1 1 28 ASN ASN 0.77 6558 1 1 1 1 28 ASN ASP 0.14 6558 1 1 1 1 28 ASN TYR 0.05 6558 1 1 1 1 28 ASN GLU 0.01 6558 1 1 1 1 28 ASN MET 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6558 _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 6558 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 6558 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6558 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6558 _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_