data_AVS_bmrb_pdb_report_5261 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5261 _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 5261 1 1 1 1 82 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 5261 1 1 1 1 82 GLN C 177.436 . 176.39 1.96 5.9357e-01 5261 1 1 1 1 82 GLN CA 52.798 . 56.62 2.19 8.0949e-02 5261 1 1 1 1 82 GLN CB 29.007 . 29.1 1.97 9.6235e-01 5261 1 1 1 1 82 GLN CG 32.633 . 33.72 1.1 3.2306e-01 5261 1 1 1 1 82 GLN H 5.181 M 8.22 0.62 9.5053e-07 5261 1 1 1 1 82 GLN HA 4.191 . 4.28 0.44 8.3970e-01 5261 1 1 1 1 82 GLN HB2 -0.467 M 2.05 0.28 2.4884e-19 5261 1 1 1 1 82 GLN HB3 0.696 S 2.04 0.29 3.5783e-06 5261 1 1 1 1 82 GLN HG2 1.793 . 2.32 0.29 6.9180e-02 5261 1 1 1 1 82 GLN HG3 1.719 . 2.32 0.29 3.8227e-02 5261 1 1 1 1 82 GLN HE21 7.184 . 7.17 0.46 9.7572e-01 5261 1 1 1 1 82 GLN HE22 6.738 . 7.07 0.49 4.9806e-01 5261 1 1 1 1 82 GLN N 114.457 . 119.92 4.01 1.7309e-01 5261 1 1 1 1 82 GLN NE2 111.344 . 111.81 2.2 8.3225e-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 5261 1 1 1 1 82 GLN LYS 0.36 5261 1 1 1 1 82 GLN GLN 0.26 5261 1 1 1 1 82 GLN MET 0.15 5261 1 1 1 1 82 GLN ARG 0.15 5261 1 1 1 1 82 GLN PRO 0.03 5261 1 1 1 1 82 GLN GLU 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5261 _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 5261 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 5261 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5261 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5261 _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_