data_AVS_bmrb_pdb_report_25278 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25278 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 41 LEU Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 0.9997 25278 1 1 1 1 64 ASP Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 0.9989 25278 1 1 1 1 66 PHE Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 0.9994 25278 1 1 1 1 68 LEU Anomalous Suspicious Suspicious Consistent Anomalous Consistent "CA > CB" 0.9997 25278 1 1 1 1 85 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25278 1 1 1 1 114 TRP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25278 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 41 LEU C 176.8 . 176.99 1.98 9.2355e-01 25278 1 1 1 1 41 LEU CA 42.2 A 55.62 2.13 2.9675e-10 25278 1 1 1 1 41 LEU CB 53.8 A 42.31 1.88 9.8574e-10 25278 1 1 1 1 41 LEU H 8.10 . 8.23 0.65 8.4148e-01 25278 1 1 1 1 41 LEU N 118.5 . 121.86 3.9 3.8894e-01 25278 1 1 1 1 64 ASP C 176.3 . 176.4 1.75 9.5443e-01 25278 1 1 1 1 64 ASP CA 40.4 A 54.69 2.03 1.9306e-12 25278 1 1 1 1 64 ASP CB 55.9 A 40.88 1.62 1.8337e-20 25278 1 1 1 1 64 ASP H 7.56 . 8.31 0.58 1.9598e-01 25278 1 1 1 1 64 ASP N 122.4 . 120.65 3.86 6.5028e-01 25278 1 1 1 1 66 PHE C 173.7 . 175.42 1.99 3.8741e-01 25278 1 1 1 1 66 PHE CA 41.4 A 58.08 2.57 8.5681e-11 25278 1 1 1 1 66 PHE CB 54.6 A 39.99 2.09 2.7404e-12 25278 1 1 1 1 66 PHE H 7.96 . 8.36 0.72 5.7851e-01 25278 1 1 1 1 66 PHE N 118.8 . 120.45 4.18 6.9304e-01 25278 1 1 1 1 68 LEU C 178.0 . 176.99 1.98 6.0998e-01 25278 1 1 1 1 68 LEU CA 40.8 A 55.62 2.13 3.4576e-12 25278 1 1 1 1 68 LEU CB 54.8 A 42.31 1.88 3.0608e-11 25278 1 1 1 1 68 LEU H 8.83 . 8.23 0.65 3.5597e-01 25278 1 1 1 1 68 LEU N 125.0 . 121.86 3.9 4.2075e-01 25278 1 1 1 1 85 ARG C 177.5 . 176.41 2.03 5.9130e-01 25278 1 1 1 1 85 ARG CA 56.7 . 56.77 2.31 9.7583e-01 25278 1 1 1 1 85 ARG CB 31.4 . 30.7 1.83 7.0208e-01 25278 1 1 1 1 85 ARG H 7.12 . 8.24 0.61 6.6348e-02 25278 1 1 1 1 85 ARG NE 117.1 A 84.63 1.68 3.1606e-83 25278 1 1 1 1 114 TRP C 177.6 . 176.12 2.01 4.6154e-01 25278 1 1 1 1 114 TRP CA 57.2 . 57.66 2.58 8.5849e-01 25278 1 1 1 1 114 TRP CB 34.1 . 30.01 2.01 4.1868e-02 25278 1 1 1 1 114 TRP H 9.41 . 8.29 0.79 1.5627e-01 25278 1 1 1 1 114 TRP N 116.3 . 121.68 4.18 1.9807e-01 25278 1 1 1 1 114 TRP NE1 9.54 A 129.32 2.11 0.0000e+00 25278 1 stop_ loop_ _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 _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID 1 1 1 41 LEU ASP 0.4 25278 1 1 1 1 41 LEU LYS 0.2 25278 1 1 1 1 41 LEU ARG 0.15 25278 1 1 1 1 41 LEU PHE 0.08 25278 1 1 1 1 41 LEU ASN 0.07 25278 1 1 1 1 41 LEU TYR 0.05 25278 1 1 1 1 41 LEU GLY 0.01 25278 1 1 1 1 64 ASP PHE 0.28 25278 1 1 1 1 64 ASP TYR 0.24 25278 1 1 1 1 64 ASP LEU 0.24 25278 1 1 1 1 64 ASP ASN 0.11 25278 1 1 1 1 64 ASP LYS 0.07 25278 1 1 1 1 64 ASP ILE 0.02 25278 1 1 1 1 66 PHE ASP 0.34 25278 1 1 1 1 66 PHE LEU 0.28 25278 1 1 1 1 66 PHE LYS 0.16 25278 1 1 1 1 66 PHE ASN 0.08 25278 1 1 1 1 66 PHE TYR 0.08 25278 1 1 1 1 66 PHE ARG 0.03 25278 1 1 1 1 68 LEU ASP 0.41 25278 1 1 1 1 68 LEU PHE 0.17 25278 1 1 1 1 68 LEU ASN 0.15 25278 1 1 1 1 68 LEU TYR 0.13 25278 1 1 1 1 68 LEU LYS 0.1 25278 1 1 1 1 85 ARG ARG 0.17 25278 1 1 1 1 85 ARG MET 0.15 25278 1 1 1 1 85 ARG HIS 0.15 25278 1 1 1 1 85 ARG TRP 0.13 25278 1 1 1 1 85 ARG LYS 0.13 25278 1 1 1 1 85 ARG GLU 0.12 25278 1 1 1 1 85 ARG GLN 0.08 25278 1 1 1 1 85 ARG VAL 0.01 25278 1 1 1 1 114 TRP GLN 0.26 25278 1 1 1 1 114 TRP MET 0.23 25278 1 1 1 1 114 TRP LYS 0.22 25278 1 1 1 1 114 TRP GLU 0.07 25278 1 1 1 1 114 TRP ARG 0.05 25278 1 1 1 1 114 TRP HIS 0.04 25278 1 1 1 1 114 TRP VAL 0.03 25278 1 1 1 1 114 TRP TRP 0.03 25278 1 1 1 1 114 TRP TYR 0.01 25278 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25278 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu 25278 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25278 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25278 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25278 _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_