data_AVS_bmrb_pdb_report_11345 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 11345 _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 15 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11345 1 1 1 1 85 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 11345 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 15 GLN C 177.135 . 176.39 1.96 7.0387e-01 11345 1 1 1 1 15 GLN CA 56.906 . 56.62 2.19 8.9610e-01 11345 1 1 1 1 15 GLN CB 28.141 . 29.1 1.97 6.2640e-01 11345 1 1 1 1 15 GLN CG 34.130 . 33.72 1.1 7.0935e-01 11345 1 1 1 1 15 GLN H 7.781 . 8.22 0.62 4.7891e-01 11345 1 1 1 1 15 GLN HA 2.216 A 4.28 0.44 2.7199e-06 11345 1 1 1 1 15 GLN HB2 1.630 . 2.05 0.28 1.3361e-01 11345 1 1 1 1 15 GLN HB3 1.332 . 2.04 0.29 1.4631e-02 11345 1 1 1 1 15 GLN HG2 2.116 . 2.32 0.29 4.8178e-01 11345 1 1 1 1 15 GLN HG3 1.829 . 2.32 0.29 9.0436e-02 11345 1 1 1 1 15 GLN HE21 6.796 . 7.17 0.46 4.1619e-01 11345 1 1 1 1 15 GLN HE22 6.796 . 7.07 0.49 5.7604e-01 11345 1 1 1 1 15 GLN N 114.547 . 119.92 4.01 1.8028e-01 11345 1 1 1 1 15 GLN NE2 110.582 . 111.81 2.2 5.7672e-01 11345 1 1 1 1 85 GLN C 174.660 . 176.39 1.96 3.7742e-01 11345 1 1 1 1 85 GLN CA 54.477 . 56.62 2.19 3.2781e-01 11345 1 1 1 1 85 GLN CB 26.976 . 29.1 1.97 2.8096e-01 11345 1 1 1 1 85 GLN CG 32.716 . 33.72 1.1 3.6139e-01 11345 1 1 1 1 85 GLN H 7.162 . 8.22 0.62 8.7924e-02 11345 1 1 1 1 85 GLN HA 3.486 . 4.28 0.44 7.1146e-02 11345 1 1 1 1 85 GLN HB2 0.397 S 2.05 0.28 3.5572e-09 11345 1 1 1 1 85 GLN HB3 -0.117 S 2.04 0.29 1.0227e-13 11345 1 1 1 1 85 GLN HG2 0.580 S 2.32 0.29 1.9732e-09 11345 1 1 1 1 85 GLN HG3 -0.249 A 2.32 0.29 8.1011e-19 11345 1 1 1 1 85 GLN HE21 7.011 . 7.17 0.46 7.2960e-01 11345 1 1 1 1 85 GLN HE22 5.986 . 7.07 0.49 2.6950e-02 11345 1 1 1 1 85 GLN N 118.261 . 119.92 4.01 6.7908e-01 11345 1 1 1 1 85 GLN NE2 115.902 . 111.81 2.2 6.2886e-02 11345 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 15 GLN CYS 0.27 11345 1 1 1 1 15 GLN GLN 0.25 11345 1 1 1 1 15 GLN LYS 0.24 11345 1 1 1 1 15 GLN GLU 0.12 11345 1 1 1 1 15 GLN ARG 0.06 11345 1 1 1 1 15 GLN MET 0.02 11345 1 1 1 1 15 GLN ILE 0.01 11345 1 1 1 1 85 GLN CYS 0.32 11345 1 1 1 1 85 GLN ARG 0.23 11345 1 1 1 1 85 GLN LYS 0.2 11345 1 1 1 1 85 GLN GLN 0.19 11345 1 1 1 1 85 GLN MET 0.02 11345 1 1 1 1 85 GLN GLU 0.01 11345 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 11345 _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.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 11345 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 11345 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 11345 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 11345 _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_