data_AVS_bmrb_pdb_report_6529 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6529 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6529 1 1 1 1 30 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6529 1 1 1 1 30 GLU C 177.010 . 176.93 2.11 9.6976e-01 6529 1 1 1 1 30 GLU CA 57.040 . 57.42 2.19 8.6225e-01 6529 1 1 1 1 30 GLU CB 30.195 . 30.07 1.84 9.4584e-01 6529 1 1 1 1 30 GLU CG 36.281 . 36.01 1.51 8.5757e-01 6529 1 1 1 1 30 GLU CD 177.010 M 181.94 1.85 7.7019e-03 6529 1 1 1 1 30 GLU H 7.624 . 8.34 0.61 2.4049e-01 6529 1 1 1 1 30 GLU HA 4.264 . 4.26 0.43 9.9258e-01 6529 1 1 1 1 30 GLU HB2 2.033 . 2.04 0.22 9.7462e-01 6529 1 1 1 1 30 GLU HB3 2.133 . 2.04 0.23 6.8596e-01 6529 1 1 1 1 30 GLU HG2 2.410 . 2.31 0.21 6.3394e-01 6529 1 1 1 1 30 GLU HG3 2.228 . 2.31 0.21 6.9618e-01 6529 1 1 1 1 30 GLU N 118.887 . 120.68 3.68 6.2610e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 6529 1 1 1 1 30 GLU CYS 0.74 6529 1 1 1 1 30 GLU ASN 0.11 6529 1 1 1 1 30 GLU GLU 0.09 6529 1 1 1 1 30 GLU ASP 0.02 6529 1 1 1 1 30 GLU GLN 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6529 _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.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 6529 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 6529 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6529 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6529 _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_