data_AVS_bmrb_pdb_report_11084 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11084 _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 19 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11084 1 1 1 1 56 GLN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 11084 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 19 GLU C 175.354 . 176.93 2.11 4.5511e-01 11084 1 1 1 1 19 GLU CA 57.412 . 57.42 2.19 9.9709e-01 11084 1 1 1 1 19 GLU CB 26.863 . 30.07 1.84 8.1345e-02 11084 1 1 1 1 19 GLU CG 34.543 . 36.01 1.51 3.3129e-01 11084 1 1 1 1 19 GLU H 7.209 . 8.34 0.61 6.3725e-02 11084 1 1 1 1 19 GLU HA 3.418 . 4.26 0.43 5.0214e-02 11084 1 1 1 1 19 GLU HB2 1.428 . 2.04 0.22 5.4055e-03 11084 1 1 1 1 19 GLU HB3 2.023 . 2.04 0.23 9.4108e-01 11084 1 1 1 1 19 GLU HG2 1.536 S 2.31 0.21 2.2806e-04 11084 1 1 1 1 19 GLU HG3 0.971 A 2.31 0.21 1.8155e-10 11084 1 1 1 1 19 GLU N 118.846 . 120.68 3.68 6.1822e-01 11084 1 1 1 1 56 GLN C 168.800 A 176.39 1.96 1.0775e-04 11084 1 1 1 1 56 GLN CA 50.878 . 56.62 2.19 8.7437e-03 11084 1 1 1 1 56 GLN CB 27.670 . 29.1 1.97 4.6791e-01 11084 1 1 1 1 56 GLN CG 32.107 . 33.72 1.1 1.4255e-01 11084 1 1 1 1 56 GLN H 8.613 . 8.22 0.62 5.2617e-01 11084 1 1 1 1 56 GLN HA 4.614 . 4.28 0.44 4.4780e-01 11084 1 1 1 1 56 GLN HB2 1.824 . 2.05 0.28 4.1958e-01 11084 1 1 1 1 56 GLN HB3 1.876 . 2.04 0.29 5.7172e-01 11084 1 1 1 1 56 GLN HG2 2.189 . 2.32 0.29 6.5147e-01 11084 1 1 1 1 56 GLN HG3 2.128 . 2.32 0.29 5.0793e-01 11084 1 1 1 1 56 GLN HE21 7.382 . 7.17 0.46 6.4489e-01 11084 1 1 1 1 56 GLN HE22 6.736 . 7.07 0.49 4.9547e-01 11084 1 1 1 1 56 GLN N 118.188 . 119.92 4.01 6.6580e-01 11084 1 1 1 1 56 GLN NE2 111.058 . 111.81 2.2 7.3249e-01 11084 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 19 GLU CYS 0.38 11084 1 1 1 1 19 GLU GLN 0.22 11084 1 1 1 1 19 GLU LYS 0.16 11084 1 1 1 1 19 GLU GLU 0.1 11084 1 1 1 1 19 GLU ARG 0.06 11084 1 1 1 1 19 GLU ILE 0.04 11084 1 1 1 1 19 GLU MET 0.01 11084 1 1 1 1 56 GLN PRO 0.74 11084 1 1 1 1 56 GLN CYS 0.12 11084 1 1 1 1 56 GLN ARG 0.05 11084 1 1 1 1 56 GLN LYS 0.04 11084 1 1 1 1 56 GLN GLN 0.01 11084 1 1 1 1 56 GLN MET 0.01 11084 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11084 _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 11084 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11084 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11084 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11084 _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_