data_AVS_bmrb_pdb_report_18853 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18853 _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 47 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 18853 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 47 GLN C 179.515 . 176.31 1.95 1.0026e-01 18853 1 1 1 1 47 GLN CA 58.227 . 56.57 2.14 4.3875e-01 18853 1 1 1 1 47 GLN CB 26.419 . 29.19 1.82 1.2788e-01 18853 1 1 1 1 47 GLN CG 32.953 . 33.76 1.11 4.6721e-01 18853 1 1 1 1 47 GLN CD 178.644 . 179.69 1.29 4.1745e-01 18853 1 1 1 1 47 GLN H 7.450 . 8.22 0.59 1.9186e-01 18853 1 1 1 1 47 GLN HA 3.216 . 4.27 0.44 1.6600e-02 18853 1 1 1 1 47 GLN HB2 0.255 S 2.05 0.25 6.9711e-13 18853 1 1 1 1 47 GLN HB3 -0.376 S 2.02 0.28 1.1570e-17 18853 1 1 1 1 47 GLN HG2 -0.111 A 2.32 0.27 2.1823e-19 18853 1 1 1 1 47 GLN HG3 0.797 S 2.29 0.29 2.6289e-07 18853 1 1 1 1 47 GLN HE21 6.329 . 7.24 0.45 4.2924e-02 18853 1 1 1 1 47 GLN HE22 5.378 S 7.02 0.44 1.9010e-04 18853 1 1 1 1 47 GLN N 116.659 . 119.89 3.6 3.6945e-01 18853 1 1 1 1 47 GLN NE2 112.432 . 111.87 1.72 7.4386e-01 18853 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 47 GLN GLN 0.99 18853 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18853 _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 18853 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18853 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18853 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18853 _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_