data_AVS_bmrb_pdb_report_11541 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11541 _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 39 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11541 1 1 1 1 85 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11541 1 1 1 2 1 GLY UNSUPPORTED . . . . . . . 11541 1 1 1 2 2 U UNSUPPORTED . . . . . . . 11541 1 1 1 2 3 GLY UNSUPPORTED . . . . . . . 11541 1 1 1 2 4 U UNSUPPORTED . . . . . . . 11541 1 1 1 2 5 GLY UNSUPPORTED . . . . . . . 11541 1 1 1 2 6 CYS UNSUPPORTED . . . . . . . 11541 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 39 GLN CA 56.671 . 56.57 2.14 9.6236e-01 11541 1 1 1 1 39 GLN CB 28.295 . 29.19 1.82 6.2289e-01 11541 1 1 1 1 39 GLN CG 30.836 . 33.76 1.11 8.4327e-03 11541 1 1 1 1 39 GLN H 6.668 . 8.22 0.59 8.5257e-03 11541 1 1 1 1 39 GLN HA 4.050 . 4.27 0.44 6.1707e-01 11541 1 1 1 1 39 GLN HB2 1.527 . 2.05 0.25 3.6439e-02 11541 1 1 1 1 39 GLN HB3 1.571 . 2.02 0.28 1.0881e-01 11541 1 1 1 1 39 GLN HG2 0.027 A 2.32 0.27 2.0208e-17 11541 1 1 1 1 39 GLN HG3 1.451 . 2.29 0.29 3.8146e-03 11541 1 1 1 1 39 GLN HE21 6.727 . 7.24 0.45 2.5429e-01 11541 1 1 1 1 39 GLN HE22 6.008 . 7.02 0.44 2.1448e-02 11541 1 1 1 1 39 GLN N 114.063 . 119.89 3.6 1.0553e-01 11541 1 1 1 1 39 GLN NE2 112.326 . 111.87 1.72 7.9092e-01 11541 1 1 1 1 85 ARG CA 54.320 . 56.77 2.31 2.8887e-01 11541 1 1 1 1 85 ARG CB 34.543 . 30.7 1.83 3.5729e-02 11541 1 1 1 1 85 ARG CG 28.523 . 27.21 1.2 2.7388e-01 11541 1 1 1 1 85 ARG H 7.759 . 8.24 0.61 4.3039e-01 11541 1 1 1 1 85 ARG HA 4.547 . 4.3 0.46 5.9130e-01 11541 1 1 1 1 85 ARG HB2 1.463 . 1.79 0.27 2.2585e-01 11541 1 1 1 1 85 ARG HB3 1.577 . 1.76 0.28 5.1339e-01 11541 1 1 1 1 85 ARG HG2 1.710 . 1.57 0.27 6.0410e-01 11541 1 1 1 1 85 ARG HG3 1.346 . 1.54 0.29 5.0352e-01 11541 1 1 1 1 85 ARG HE 6.694 . 7.4 0.63 2.6244e-01 11541 1 1 1 1 85 ARG N 123.550 . 120.8 3.68 4.5489e-01 11541 1 1 1 1 85 ARG NE 124.453 A 84.63 1.68 0.0000e+00 11541 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 39 GLN CYS 0.33 11541 1 1 1 1 39 GLN ARG 0.32 11541 1 1 1 1 39 GLN LYS 0.25 11541 1 1 1 1 39 GLN MET 0.05 11541 1 1 1 1 39 GLN GLN 0.02 11541 1 1 1 1 85 ARG GLN 0.33 11541 1 1 1 1 85 ARG LYS 0.24 11541 1 1 1 1 85 ARG CYS 0.24 11541 1 1 1 1 85 ARG GLU 0.11 11541 1 1 1 1 85 ARG ARG 0.04 11541 1 1 1 1 85 ARG MET 0.01 11541 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11541 _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 11541 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11541 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11541 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11541 _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_