data_AVS_bmrb_pdb_report_25849 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25849 _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 58 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25849 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 58 GLU C 179.522 . 176.87 1.95 1.7383e-01 25849 1 1 1 1 58 GLU CA 58.287 . 57.32 2.09 6.4359e-01 25849 1 1 1 1 58 GLU CB 27.532 . 30.01 1.72 1.4967e-01 25849 1 1 1 1 58 GLU CG 33.300 . 36.11 1.19 1.8209e-02 25849 1 1 1 1 58 GLU H 8.224 . 8.33 0.59 8.5742e-01 25849 1 1 1 1 58 GLU HA 3.361 . 4.25 0.41 3.0136e-02 25849 1 1 1 1 58 GLU HB2 -0.030 A 2.02 0.21 1.6404e-22 25849 1 1 1 1 58 GLU HB3 0.315 S 1.99 0.23 3.2743e-13 25849 1 1 1 1 58 GLU HG2 0.391 A 2.27 0.21 3.6323e-19 25849 1 1 1 1 58 GLU HG3 0.350 A 2.25 0.22 5.8031e-18 25849 1 1 1 1 58 GLU N 124.516 . 120.67 3.48 2.6908e-01 25849 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 58 GLU CYS 0.36 25849 1 1 1 1 58 GLU GLN 0.23 25849 1 1 1 1 58 GLU LYS 0.19 25849 1 1 1 1 58 GLU ARG 0.17 25849 1 1 1 1 58 GLU GLU 0.01 25849 1 1 1 1 58 GLU ILE 0.01 25849 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25849 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 25849 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25849 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25849 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25849 _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_