data_AVS_bmrb_pdb_report_5044 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5044 _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 5044 1 1 1 1 5 GLN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 5044 1 1 1 1 5 GLN CA 55.661 . 56.62 2.19 6.6146e-01 5044 1 1 1 1 5 GLN CB 29.624 . 29.1 1.97 7.9025e-01 5044 1 1 1 1 5 GLN CG 33.834 . 33.72 1.1 9.1746e-01 5044 1 1 1 1 5 GLN H 8.425 . 8.22 0.62 7.4091e-01 5044 1 1 1 1 5 GLN HA 4.339 . 4.28 0.44 8.9333e-01 5044 1 1 1 1 5 GLN HB2 1.949 . 2.05 0.28 7.1831e-01 5044 1 1 1 1 5 GLN HB3 2.029 . 2.04 0.29 9.6974e-01 5044 1 1 1 1 5 GLN HG2 2.319 . 2.32 0.29 9.9725e-01 5044 1 1 1 1 5 GLN HG3 2.319 . 2.32 0.29 9.9725e-01 5044 1 1 1 1 5 GLN HE21 7.567 . 7.17 0.46 3.8811e-01 5044 1 1 1 1 5 GLN HE22 6.846 . 7.07 0.49 6.4757e-01 5044 1 1 1 1 5 GLN N 125.415 . 119.92 4.01 1.7059e-01 5044 1 1 1 1 5 GLN NE2 133.301 M 111.81 2.2 1.5350e-22 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 5044 1 1 1 1 5 GLN GLN 0.26 5044 1 1 1 1 5 GLN CYS 0.24 5044 1 1 1 1 5 GLN LYS 0.22 5044 1 1 1 1 5 GLN GLU 0.11 5044 1 1 1 1 5 GLN MET 0.1 5044 1 1 1 1 5 GLN ARG 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5044 _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 5044 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 5044 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5044 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5044 _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_