data_AVS_bmrb_pdb_report_6272 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6272 _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 6272 1 1 1 1 31 GLN Anomalous Consistent Consistent Consistent Anomalous 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 6272 1 1 1 1 31 GLN C 175.97 . 176.39 1.96 8.3032e-01 6272 1 1 1 1 31 GLN CA 56.09 . 56.62 2.19 8.0877e-01 6272 1 1 1 1 31 GLN CB 29.68 . 29.1 1.97 7.6844e-01 6272 1 1 1 1 31 GLN CG 33.77 . 33.72 1.1 9.6375e-01 6272 1 1 1 1 31 GLN CD 183.48 M 179.68 1.17 1.1628e-03 6272 1 1 1 1 31 GLN H 7.85 . 8.22 0.62 5.5066e-01 6272 1 1 1 1 31 GLN HA 4.37 . 4.28 0.44 8.3793e-01 6272 1 1 1 1 31 GLN HB2 1.98 . 2.05 0.28 8.0259e-01 6272 1 1 1 1 31 GLN HB3 1.95 . 2.04 0.29 7.5630e-01 6272 1 1 1 1 31 GLN HG2 2.34 . 2.32 0.29 9.4502e-01 6272 1 1 1 1 31 GLN HG3 2.05 . 2.32 0.29 3.5184e-01 6272 1 1 1 1 31 GLN HE21 7.51 . 7.17 0.46 4.5983e-01 6272 1 1 1 1 31 GLN HE22 6.88 . 7.07 0.49 6.9820e-01 6272 1 1 1 1 31 GLN N 115.81 . 119.92 4.01 3.0539e-01 6272 1 1 1 1 31 GLN NE2 111.12 . 111.81 2.2 7.5380e-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 6272 1 1 1 1 31 GLN CYS 0.63 6272 1 1 1 1 31 GLN GLU 0.34 6272 1 1 1 1 31 GLN GLN 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6272 _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 6272 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 6272 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6272 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6272 _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_