data_AVS_bmrb_pdb_report_27467 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 27467 _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 50 GLN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 27467 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 50 GLN CA 56.653 . 56.57 2.14 9.6906e-01 27467 1 1 1 1 50 GLN CB 30.831 . 29.19 1.82 3.6724e-01 27467 1 1 1 1 50 GLN CG 33.575 . 33.76 1.11 8.6763e-01 27467 1 1 1 1 50 GLN H 7.283 . 8.22 0.59 1.1226e-01 27467 1 1 1 1 50 GLN HA 4.010 . 4.27 0.44 5.5458e-01 27467 1 1 1 1 50 GLN HB2 1.951 . 2.05 0.25 6.9210e-01 27467 1 1 1 1 50 GLN HB3 1.875 . 2.02 0.28 6.0456e-01 27467 1 1 1 1 50 GLN HG2 2.530 . 2.32 0.27 4.3670e-01 27467 1 1 1 1 50 GLN HG3 1.728 . 2.29 0.29 5.2632e-02 27467 1 1 1 1 50 GLN HE21 6.938 . 7.24 0.45 5.0215e-01 27467 1 1 1 1 50 GLN HE22 6.765 . 7.02 0.44 5.6222e-01 27467 1 1 1 1 50 GLN N 121.494 . 119.89 3.6 6.5592e-01 27467 1 1 1 1 50 GLN NE2 129.213 A 111.87 1.72 6.5596e-24 27467 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 50 GLN GLN 0.38 27467 1 1 1 1 50 GLN MET 0.36 27467 1 1 1 1 50 GLN LYS 0.16 27467 1 1 1 1 50 GLN GLU 0.08 27467 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 27467 _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 27467 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 27467 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 27467 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 27467 _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_