data_AVS_bmrb_pdb_report_15560 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15560 _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 26 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HD2" 0.9912 15560 1 1 1 1 26 ARG . . . . . . "HE > HD2" 0.9992 15560 1 1 1 1 58 GLY Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15560 1 1 1 1 78 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15560 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 26 ARG C 174.60 . 176.49 2.16 3.8157e-01 15560 1 1 1 1 26 ARG CA 55.68 . 56.95 2.41 5.9821e-01 15560 1 1 1 1 26 ARG CB 27.36 . 30.66 1.77 6.2265e-02 15560 1 1 1 1 26 ARG CG 26.98 . 27.31 1.65 8.4148e-01 15560 1 1 1 1 26 ARG CD 43.38 . 43.1 1.1 7.9907e-01 15560 1 1 1 1 26 ARG H 7.29 . 8.24 0.6 1.1335e-01 15560 1 1 1 1 26 ARG HA 1.52 A 4.27 0.44 4.1045e-10 15560 1 1 1 1 26 ARG HB2 1.04 . 1.79 0.28 7.3937e-03 15560 1 1 1 1 26 ARG HB3 0.79 S 1.78 0.28 4.0667e-04 15560 1 1 1 1 26 ARG HG2 1.08 . 1.58 0.27 6.4047e-02 15560 1 1 1 1 26 ARG HG3 -0.11 S 1.58 0.27 3.8681e-10 15560 1 1 1 1 26 ARG HD2 3.04 . 3.13 0.23 6.9557e-01 15560 1 1 1 1 26 ARG HD3 2.88 . 3.13 0.22 2.5580e-01 15560 1 1 1 1 26 ARG HE 2.95 A 7.32 0.52 4.3209e-17 15560 1 1 1 1 26 ARG N 122.13 . 120.61 3.9 6.9673e-01 15560 1 1 1 1 26 ARG NE 83.65 . 89.8 12.83 6.3169e-01 15560 1 1 1 1 58 GLY C 171.92 . 174.04 1.94 2.7449e-01 15560 1 1 1 1 58 GLY CA 43.46 . 45.33 1.42 1.8787e-01 15560 1 1 1 1 58 GLY H 6.75 . 8.34 0.74 3.1662e-02 15560 1 1 1 1 58 GLY HA2 4.40 . 3.95 0.4 2.6059e-01 15560 1 1 1 1 58 GLY HA3 1.26 A 3.93 0.4 2.4723e-11 15560 1 1 1 1 58 GLY N 107.52 . 109.91 4.29 5.7745e-01 15560 1 1 1 1 78 GLU C 174.86 . 176.93 2.11 3.2657e-01 15560 1 1 1 1 78 GLU CA 57.89 . 57.42 2.19 8.3007e-01 15560 1 1 1 1 78 GLU CB 28.86 . 30.07 1.84 5.1079e-01 15560 1 1 1 1 78 GLU CG 34.78 . 36.01 1.51 4.1532e-01 15560 1 1 1 1 78 GLU H 8.24 . 8.34 0.61 8.6978e-01 15560 1 1 1 1 78 GLU HA 3.56 . 4.26 0.43 1.0354e-01 15560 1 1 1 1 78 GLU HB2 1.32 . 2.04 0.22 1.0652e-03 15560 1 1 1 1 78 GLU HB3 1.00 S 2.04 0.23 6.1334e-06 15560 1 1 1 1 78 GLU HG2 1.45 S 2.31 0.21 4.2173e-05 15560 1 1 1 1 78 GLU HG3 0.89 A 2.31 0.21 1.3619e-11 15560 1 1 1 1 78 GLU N 120.07 . 120.68 3.68 8.6835e-01 15560 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 26 ARG LEU 0.34 15560 1 1 1 1 26 ARG CYS 0.26 15560 1 1 1 1 26 ARG ARG 0.21 15560 1 1 1 1 26 ARG GLY 0.08 15560 1 1 1 1 26 ARG LYS 0.08 15560 1 1 1 1 58 GLY ARG 0.37 15560 1 1 1 1 58 GLY LEU 0.27 15560 1 1 1 1 58 GLY GLY 0.09 15560 1 1 1 1 58 GLY CYS 0.08 15560 1 1 1 1 58 GLY ASP 0.04 15560 1 1 1 1 58 GLY LYS 0.04 15560 1 1 1 1 58 GLY PHE 0.04 15560 1 1 1 1 58 GLY TYR 0.02 15560 1 1 1 1 78 GLU CYS 0.28 15560 1 1 1 1 78 GLU GLU 0.22 15560 1 1 1 1 78 GLU GLN 0.21 15560 1 1 1 1 78 GLU LYS 0.21 15560 1 1 1 1 78 GLU ILE 0.04 15560 1 1 1 1 78 GLU ARG 0.02 15560 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15560 _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.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 15560 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 15560 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 15560 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15560 _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_