data_AVS_bmrb_pdb_report_34638 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 34638 _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 SER Anomalous Consistent Consistent Anomalous Consistent Consistent . . 34638 1 1 1 1 149 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 34638 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 SER CA 55.745 . 58.72 2.07 1.5066e-01 34638 1 1 1 1 58 SER CB 67.233 . 63.8 1.48 2.0363e-02 34638 1 1 1 1 58 SER H 7.776 . 8.28 0.59 3.9297e-01 34638 1 1 1 1 58 SER HA 4.871 . 4.48 0.4 3.2832e-01 34638 1 1 1 1 58 SER HB2 0.815 A 3.88 0.25 1.4850e-34 34638 1 1 1 1 58 SER HB3 2.506 S 3.85 0.27 6.4318e-07 34638 1 1 1 1 58 SER N 113.044 . 116.28 3.52 3.5793e-01 34638 1 1 1 1 149 GLU CA 57.756 . 57.32 2.09 8.3475e-01 34638 1 1 1 1 149 GLU CB 29.315 . 30.01 1.72 6.8616e-01 34638 1 1 1 1 149 GLU CG 34.397 . 36.11 1.19 1.5001e-01 34638 1 1 1 1 149 GLU H 7.919 . 8.33 0.59 4.8605e-01 34638 1 1 1 1 149 GLU HA 3.840 . 4.25 0.41 3.1731e-01 34638 1 1 1 1 149 GLU HB2 0.277 A 2.02 0.21 1.0411e-16 34638 1 1 1 1 149 GLU HB3 0.970 S 1.99 0.23 9.2165e-06 34638 1 1 1 1 149 GLU HG2 0.838 S 2.27 0.21 9.1646e-12 34638 1 1 1 1 149 GLU HG3 1.276 S 2.25 0.22 9.5432e-06 34638 1 1 1 1 149 GLU N 117.645 . 120.67 3.48 3.8471e-01 34638 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 SER SER 0.63 34638 1 1 1 1 58 SER THR 0.35 34638 1 1 1 1 149 GLU CYS 0.27 34638 1 1 1 1 149 GLU GLN 0.26 34638 1 1 1 1 149 GLU LYS 0.23 34638 1 1 1 1 149 GLU GLU 0.15 34638 1 1 1 1 149 GLU MET 0.03 34638 1 1 1 1 149 GLU ARG 0.01 34638 1 1 1 1 149 GLU ILE 0.01 34638 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 34638 _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 34638 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 34638 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 34638 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 34638 _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_