data_AVS_bmrb_pdb_report_26643 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 26643 _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 27 GLY Anomalous Consistent Consistent Consistent Anomalous Consistent . . 26643 1 1 1 1 38 LYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 26643 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 27 GLY C 143.3368 A 173.87 1.88 2.5840e-59 26643 1 1 1 1 27 GLY CA 45.3352 . 45.35 1.34 9.9119e-01 26643 1 1 1 1 27 GLY H 7.9574 . 8.33 0.65 5.6649e-01 26643 1 1 1 1 27 GLY HA2 4.2116 . 3.97 0.37 5.1377e-01 26643 1 1 1 1 27 GLY HA3 3.5222 . 3.9 0.37 3.0722e-01 26643 1 1 1 1 27 GLY N 110.5997 . 109.67 3.87 8.1015e-01 26643 1 1 1 1 38 LYS CA 59.6912 . 56.95 2.2 2.1276e-01 26643 1 1 1 1 38 LYS CB 31.9373 . 32.79 1.78 6.3191e-01 26643 1 1 1 1 38 LYS H 7.8596 . 8.19 0.6 5.8186e-01 26643 1 1 1 1 38 LYS HA 3.6388 . 4.27 0.44 1.5142e-01 26643 1 1 1 1 38 LYS N 148.0756 A 121.05 3.77 7.5772e-13 26643 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 27 GLY GLY 0.84 26643 1 1 1 1 27 GLY LEU 0.09 26643 1 1 1 1 27 GLY CYS 0.02 26643 1 1 1 1 27 GLY ARG 0.01 26643 1 1 1 1 38 LYS CYS 0.24 26643 1 1 1 1 38 LYS VAL 0.15 26643 1 1 1 1 38 LYS TRP 0.12 26643 1 1 1 1 38 LYS LYS 0.1 26643 1 1 1 1 38 LYS ARG 0.09 26643 1 1 1 1 38 LYS GLU 0.07 26643 1 1 1 1 38 LYS HIS 0.07 26643 1 1 1 1 38 LYS MET 0.07 26643 1 1 1 1 38 LYS GLN 0.02 26643 1 1 1 1 38 LYS PRO 0.01 26643 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 26643 _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 26643 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 26643 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 26643 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 26643 _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_