data_AVS_bmrb_pdb_report_17504 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17504 _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 1 GLY UNSUPPORTED . . . . . . . 17504 1 1 1 1 2 CYS UNSUPPORTED . . . . . . . 17504 1 1 1 1 3 U UNSUPPORTED . . . . . . . 17504 1 1 1 1 4 GLY UNSUPPORTED . . . . . . . 17504 1 1 1 1 5 CYS UNSUPPORTED . . . . . . . 17504 1 1 1 1 6 GLY UNSUPPORTED . . . . . . . 17504 1 1 1 1 7 GLY UNSUPPORTED . . . . . . . 17504 1 1 1 1 8 U UNSUPPORTED . . . . . . . 17504 1 1 1 1 9 GLY UNSUPPORTED . . . . . . . 17504 1 1 1 1 1 G1 UNSUPPORTED . . . . . . . 17504 1 1 1 1 2 G1 UNSUPPORTED . . . . . . . 17504 1 1 1 1 3 A1 UNSUPPORTED . . . . . . . 17504 1 1 1 1 4 A1 UNSUPPORTED . . . . . . . 17504 1 1 1 1 5 G1 UNSUPPORTED . . . . . . . 17504 1 1 1 1 6 G1 UNSUPPORTED . . . . . . . 17504 1 1 1 1 7 A1 UNSUPPORTED . . . . . . . 17504 1 1 1 1 8 G1 UNSUPPORTED . . . . . . . 17504 1 1 1 1 9 U1 UNSUPPORTED . . . . . . . 17504 1 1 1 1 1 G2 UNSUPPORTED . . . . . . . 17504 1 1 1 1 2 C2 UNSUPPORTED . . . . . . . 17504 1 1 1 1 3 U2 UNSUPPORTED . . . . . . . 17504 1 1 1 1 4 G2 UNSUPPORTED . . . . . . . 17504 1 1 1 1 5 G2 UNSUPPORTED . . . . . . . 17504 1 1 1 1 6 G2 UNSUPPORTED . . . . . . . 17504 1 1 1 1 7 U2 UNSUPPORTED . . . . . . . 17504 1 1 1 1 8 U2 UNSUPPORTED . . . . . . . 17504 1 1 1 1 9 G2 UNSUPPORTED . . . . . . . 17504 1 1 1 1 1 G3 UNSUPPORTED . . . . . . . 17504 1 1 1 1 2 C3 UNSUPPORTED . . . . . . . 17504 1 1 1 1 3 A3 UNSUPPORTED . . . . . . . 17504 1 1 1 1 4 G3 UNSUPPORTED . . . . . . . 17504 1 1 1 1 5 C3 UNSUPPORTED . . . . . . . 17504 1 1 1 1 6 G3 UNSUPPORTED . . . . . . . 17504 1 1 1 2 10 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 17504 1 1 1 2 15 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 17504 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 2 10 ARG H 7.181 . 8.24 0.6 7.7564e-02 17504 1 1 1 2 10 ARG HA 4.543 . 4.27 0.44 5.3496e-01 17504 1 1 1 2 10 ARG HB2 1.727 . 1.79 0.28 8.2198e-01 17504 1 1 1 2 10 ARG HB3 1.230 . 1.78 0.28 4.9497e-02 17504 1 1 1 2 10 ARG HG2 1.052 . 1.58 0.27 5.0518e-02 17504 1 1 1 2 10 ARG HG3 0.656 S 1.58 0.27 6.2112e-04 17504 1 1 1 2 10 ARG HD2 3.022 . 3.13 0.23 6.3867e-01 17504 1 1 1 2 10 ARG HD3 2.929 . 3.13 0.22 3.6091e-01 17504 1 1 1 2 10 ARG HE 7.809 . 7.32 0.52 3.4702e-01 17504 1 1 1 2 10 ARG HH11 5.642 A 6.74 0.31 3.9720e-04 17504 1 1 1 2 10 ARG HH21 7.994 A 6.72 0.32 6.8554e-05 17504 1 1 1 2 10 ARG HH22 6.820 . 6.72 0.33 7.6187e-01 17504 1 1 1 2 15 ARG H 7.185 . 8.24 0.6 7.8691e-02 17504 1 1 1 2 15 ARG HA 3.791 . 4.27 0.44 2.7631e-01 17504 1 1 1 2 15 ARG HB2 0.937 . 1.79 0.28 2.3158e-03 17504 1 1 1 2 15 ARG HB3 0.688 S 1.78 0.28 9.6193e-05 17504 1 1 1 2 15 ARG HG2 0.944 . 1.58 0.27 1.8495e-02 17504 1 1 1 2 15 ARG HG3 0.479 S 1.58 0.27 4.5468e-05 17504 1 1 1 2 15 ARG HD2 2.630 . 3.13 0.23 2.9712e-02 17504 1 1 1 2 15 ARG HD3 1.991 S 3.13 0.22 2.2515e-07 17504 1 1 1 2 15 ARG HE 7.200 . 7.32 0.52 8.1749e-01 17504 1 1 1 2 15 ARG HH21 8.109 A 6.72 0.32 1.4208e-05 17504 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17504 _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 17504 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17504 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17504 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17504 _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_