data_AVS_bmrb_pdb_report_17971 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17971 _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 89 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 17971 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 89 GLU C 58.3 A 176.93 2.11 0.0000e+00 17971 1 1 1 1 89 GLU CA 57.7 . 57.42 2.19 8.9826e-01 17971 1 1 1 1 89 GLU CB 30.5 . 30.07 1.84 8.1522e-01 17971 1 1 1 1 89 GLU H 8.05 . 8.34 0.61 6.3449e-01 17971 1 1 1 1 89 GLU HA 4.19 . 4.26 0.43 8.7068e-01 17971 1 1 1 1 89 GLU HB2 1.91 . 2.04 0.22 5.5458e-01 17971 1 1 1 1 89 GLU HB3 1.91 . 2.04 0.23 5.7193e-01 17971 1 1 1 1 89 GLU HG2 2.29 . 2.31 0.21 9.2413e-01 17971 1 1 1 1 89 GLU HG3 2.55 . 2.31 0.21 2.5310e-01 17971 1 1 1 1 89 GLU N 127.5 . 120.68 3.68 6.3845e-02 17971 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 89 GLU TRP 0.15 17971 1 1 1 1 89 GLU GLU 0.14 17971 1 1 1 1 89 GLU ARG 0.14 17971 1 1 1 1 89 GLU CYS 0.13 17971 1 1 1 1 89 GLU HIS 0.12 17971 1 1 1 1 89 GLU GLN 0.1 17971 1 1 1 1 89 GLU MET 0.06 17971 1 1 1 1 89 GLU LYS 0.06 17971 1 1 1 1 89 GLU ILE 0.02 17971 1 1 1 1 89 GLU VAL 0.02 17971 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17971 _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 17971 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17971 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17971 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17971 _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_