data_AVS_bmrb_pdb_report_11414 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11414 _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 11 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 11414 1 1 1 1 51 MET Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11414 1 1 1 2 1 ZN UNSUPPORTED . . . . . . . 11414 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 11 GLU C 176.493 . 176.93 2.11 8.3592e-01 11414 1 1 1 1 11 GLU CA 59.006 . 57.42 2.19 4.6894e-01 11414 1 1 1 1 11 GLU CB 28.778 . 30.07 1.84 4.8257e-01 11414 1 1 1 1 11 GLU CG 35.939 . 36.01 1.51 9.6250e-01 11414 1 1 1 1 11 GLU H 10.234 . 8.34 0.61 1.9033e-03 11414 1 1 1 1 11 GLU HA 4.268 . 4.26 0.43 9.8516e-01 11414 1 1 1 1 11 GLU HB2 2.142 . 2.04 0.22 6.4291e-01 11414 1 1 1 1 11 GLU HB3 2.209 . 2.04 0.23 4.6247e-01 11414 1 1 1 1 11 GLU HG2 2.363 . 2.31 0.21 8.0075e-01 11414 1 1 1 1 11 GLU HG3 2.469 . 2.31 0.21 4.4896e-01 11414 1 1 1 1 11 GLU N 106.245 A 120.68 3.68 8.7615e-05 11414 1 1 1 1 51 MET C 177.327 . 176.3 2.13 6.2969e-01 11414 1 1 1 1 51 MET CA 59.161 . 56.16 2.34 1.9967e-01 11414 1 1 1 1 51 MET CB 31.561 . 32.9 2.23 5.4821e-01 11414 1 1 1 1 51 MET CG 31.455 . 32.07 1.45 6.7146e-01 11414 1 1 1 1 51 MET CE 17.691 . 17.21 3.42 8.8815e-01 11414 1 1 1 1 51 MET H 7.297 . 8.26 0.6 1.0849e-01 11414 1 1 1 1 51 MET HA 2.425 A 4.39 0.46 1.9395e-05 11414 1 1 1 1 51 MET HB2 2.255 . 2.03 0.38 5.5378e-01 11414 1 1 1 1 51 MET HB3 2.187 . 2.01 0.36 6.2295e-01 11414 1 1 1 1 51 MET HG2 1.520 . 2.44 0.36 1.0602e-02 11414 1 1 1 1 51 MET HG3 2.107 . 2.41 0.4 4.4875e-01 11414 1 1 1 1 51 MET HE1 2.106 . 1.86 0.47 6.0069e-01 11414 1 1 1 1 51 MET HE2 2.106 . 1.86 0.47 6.0069e-01 11414 1 1 1 1 51 MET HE3 2.106 . 1.86 0.47 6.0069e-01 11414 1 1 1 1 51 MET N 121.157 . 120.1 3.88 7.8530e-01 11414 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 11 GLU CYS 0.33 11414 1 1 1 1 11 GLU GLU 0.3 11414 1 1 1 1 11 GLU ILE 0.16 11414 1 1 1 1 11 GLU LYS 0.11 11414 1 1 1 1 11 GLU GLN 0.05 11414 1 1 1 1 11 GLU MET 0.01 11414 1 1 1 1 51 MET CYS 0.53 11414 1 1 1 1 51 MET MET 0.45 11414 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11414 _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 11414 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11414 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11414 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11414 _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_