data_AVS_bmrb_pdb_report_25306 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25306 _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 9 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25306 1 1 1 1 76 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25306 1 1 1 1 93 GLY Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HA2" 0.9980 25306 1 1 1 1 93 GLY . . . . . . "H > HA3" 0.9991 25306 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 9 GLN C 173.454 . 176.31 1.95 1.4303e-01 25306 1 1 1 1 9 GLN CA 53.960 . 56.57 2.14 2.2261e-01 25306 1 1 1 1 9 GLN CB 30.691 . 29.19 1.82 4.0953e-01 25306 1 1 1 1 9 GLN CG 33.195 . 33.76 1.11 6.1075e-01 25306 1 1 1 1 9 GLN H 6.887 . 8.22 0.59 2.3863e-02 25306 1 1 1 1 9 GLN HA 4.174 . 4.27 0.44 8.2729e-01 25306 1 1 1 1 9 GLN HB2 0.831 S 2.05 0.25 1.0826e-06 25306 1 1 1 1 9 GLN HB3 -0.797 A 2.02 0.28 8.2398e-24 25306 1 1 1 1 9 GLN HG2 1.189 S 2.32 0.27 2.8032e-05 25306 1 1 1 1 9 GLN HG3 1.053 S 2.29 0.29 1.9944e-05 25306 1 1 1 1 9 GLN HE21 7.373 . 7.24 0.45 7.6757e-01 25306 1 1 1 1 9 GLN HE22 5.876 . 7.02 0.44 9.3224e-03 25306 1 1 1 1 9 GLN N 120.762 . 119.89 3.6 8.0861e-01 25306 1 1 1 1 9 GLN NE2 113.656 . 111.87 1.72 2.9910e-01 25306 1 1 1 1 76 GLN C 173.113 . 176.31 1.95 1.0111e-01 25306 1 1 1 1 76 GLN CA 54.223 . 56.57 2.14 2.7276e-01 25306 1 1 1 1 76 GLN CB 30.348 . 29.19 1.82 5.2460e-01 25306 1 1 1 1 76 GLN CG 33.051 . 33.76 1.11 5.2299e-01 25306 1 1 1 1 76 GLN H 7.106 . 8.22 0.59 5.9008e-02 25306 1 1 1 1 76 GLN HA 4.040 . 4.27 0.44 6.0116e-01 25306 1 1 1 1 76 GLN HB2 0.774 S 2.05 0.25 3.3255e-07 25306 1 1 1 1 76 GLN HB3 -0.947 A 2.02 0.28 3.0958e-26 25306 1 1 1 1 76 GLN HG2 1.180 S 2.32 0.27 2.4191e-05 25306 1 1 1 1 76 GLN HG3 0.995 S 2.29 0.29 7.9876e-06 25306 1 1 1 1 76 GLN HE21 7.415 . 7.24 0.45 6.9736e-01 25306 1 1 1 1 76 GLN HE22 5.979 . 7.02 0.44 1.7986e-02 25306 1 1 1 1 76 GLN N 120.762 . 119.89 3.6 8.0861e-01 25306 1 1 1 1 76 GLN NE2 113.634 . 111.87 1.72 3.0509e-01 25306 1 1 1 1 93 GLY C 172.284 . 173.87 1.88 3.9888e-01 25306 1 1 1 1 93 GLY CA 43.500 . 45.35 1.34 1.6740e-01 25306 1 1 1 1 93 GLY H 2.937 A 8.33 0.65 1.0684e-16 25306 1 1 1 1 93 GLY HA2 4.581 . 3.97 0.37 9.8667e-02 25306 1 1 1 1 93 GLY HA3 3.145 . 3.9 0.37 4.1297e-02 25306 1 1 1 1 93 GLY N 103.987 . 109.67 3.87 1.4197e-01 25306 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 9 GLN MET 0.42 25306 1 1 1 1 9 GLN GLN 0.37 25306 1 1 1 1 9 GLN LYS 0.16 25306 1 1 1 1 9 GLN GLU 0.02 25306 1 1 1 1 76 GLN GLN 0.39 25306 1 1 1 1 76 GLN MET 0.32 25306 1 1 1 1 76 GLN LYS 0.24 25306 1 1 1 1 76 GLN GLU 0.02 25306 1 1 1 1 76 GLN ARG 0.01 25306 1 1 1 1 93 GLY ARG 0.4 25306 1 1 1 1 93 GLY LEU 0.3 25306 1 1 1 1 93 GLY GLY 0.09 25306 1 1 1 1 93 GLY ASP 0.06 25306 1 1 1 1 93 GLY PHE 0.05 25306 1 1 1 1 93 GLY TYR 0.03 25306 1 1 1 1 93 GLY LYS 0.02 25306 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25306 _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 25306 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25306 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25306 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25306 _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_