data_AVS_bmrb_pdb_report_10115 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10115 _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 10115 1 1 1 1 41 GLN Anomalous Consistent Consistent Anomalous Consistent 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 10115 1 1 1 1 41 GLN C 175.947 . 176.39 1.96 8.2119e-01 10115 1 1 1 1 41 GLN CA 56.918 . 56.62 2.19 8.9176e-01 10115 1 1 1 1 41 GLN CB 28.412 . 29.1 1.97 7.2691e-01 10115 1 1 1 1 41 GLN CG 32.236 . 33.72 1.1 1.7731e-01 10115 1 1 1 1 41 GLN H 7.707 . 8.22 0.62 4.0800e-01 10115 1 1 1 1 41 GLN HA 2.157 M 4.28 0.44 1.4000e-06 10115 1 1 1 1 41 GLN HB2 1.116 S 2.05 0.28 8.5081e-04 10115 1 1 1 1 41 GLN HB3 0.618 S 2.04 0.29 9.4169e-07 10115 1 1 1 1 41 GLN HG2 1.013 S 2.32 0.29 6.5783e-06 10115 1 1 1 1 41 GLN HG3 0.617 S 2.32 0.29 4.2950e-09 10115 1 1 1 1 41 GLN HE21 6.687 . 7.17 0.46 2.9372e-01 10115 1 1 1 1 41 GLN HE22 6.850 . 7.07 0.49 6.5345e-01 10115 1 1 1 1 41 GLN N 119.124 . 119.92 4.01 8.4265e-01 10115 1 1 1 1 41 GLN NE2 111.718 . 111.81 2.2 9.6664e-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 10115 1 1 1 1 41 GLN LYS 0.27 10115 1 1 1 1 41 GLN CYS 0.26 10115 1 1 1 1 41 GLN ARG 0.2 10115 1 1 1 1 41 GLN GLN 0.16 10115 1 1 1 1 41 GLN MET 0.06 10115 1 1 1 1 41 GLN GLU 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10115 _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 10115 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 10115 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10115 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10115 _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_