data_AVS_bmrb_pdb_report_16689 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16689 _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 24 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16689 1 1 1 1 140 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16689 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 24 GLU C 174.230 . 176.93 2.11 2.0068e-01 16689 1 1 1 1 24 GLU CA 52.381 . 57.42 2.19 2.1397e-02 16689 1 1 1 1 24 GLU CB 30.257 . 30.07 1.84 9.1905e-01 16689 1 1 1 1 24 GLU CG 31.828 . 36.01 1.51 5.6136e-03 16689 1 1 1 1 24 GLU H 8.519 . 8.34 0.61 7.6918e-01 16689 1 1 1 1 24 GLU HA 4.534 . 4.26 0.43 5.2399e-01 16689 1 1 1 1 24 GLU HB2 1.353 . 2.04 0.22 1.7918e-03 16689 1 1 1 1 24 GLU HB3 1.353 . 2.04 0.23 2.8177e-03 16689 1 1 1 1 24 GLU HG2 1.512 S 2.31 0.21 1.4470e-04 16689 1 1 1 1 24 GLU HG3 0.945 A 2.31 0.21 8.0320e-11 16689 1 1 1 1 24 GLU N 125.322 . 120.68 3.68 2.0716e-01 16689 1 1 1 1 140 GLN C 177.991 . 176.39 1.96 4.1402e-01 16689 1 1 1 1 140 GLN CA 60.001 . 56.62 2.19 1.2263e-01 16689 1 1 1 1 140 GLN CB 28.898 . 29.1 1.97 9.1833e-01 16689 1 1 1 1 140 GLN CG 34.797 . 33.72 1.1 3.2754e-01 16689 1 1 1 1 140 GLN CD 180.444 . 179.68 1.17 5.1376e-01 16689 1 1 1 1 140 GLN H 7.703 . 8.22 0.62 4.0435e-01 16689 1 1 1 1 140 GLN HA 3.753 . 4.28 0.44 2.3102e-01 16689 1 1 1 1 140 GLN HB2 2.065 . 2.05 0.28 9.5728e-01 16689 1 1 1 1 140 GLN HB3 2.065 . 2.04 0.29 9.3130e-01 16689 1 1 1 1 140 GLN HG2 2.477 . 2.32 0.29 5.8825e-01 16689 1 1 1 1 140 GLN HG3 1.862 . 2.32 0.29 1.1426e-01 16689 1 1 1 1 140 GLN HE21 6.551 . 7.17 0.46 1.7841e-01 16689 1 1 1 1 140 GLN HE22 9.139 A 7.07 0.49 2.4166e-05 16689 1 1 1 1 140 GLN N 120.442 . 119.92 4.01 8.9643e-01 16689 1 1 1 1 140 GLN NE2 118.274 . 111.81 2.2 3.3014e-03 16689 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 24 GLU CYS 0.36 16689 1 1 1 1 24 GLU MET 0.29 16689 1 1 1 1 24 GLU LYS 0.17 16689 1 1 1 1 24 GLU GLN 0.08 16689 1 1 1 1 24 GLU ARG 0.07 16689 1 1 1 1 24 GLU PRO 0.01 16689 1 1 1 1 140 GLN CYS 0.43 16689 1 1 1 1 140 GLN GLU 0.31 16689 1 1 1 1 140 GLN GLN 0.25 16689 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16689 _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 16689 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16689 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16689 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16689 _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_