data_AVS_bmrb_pdb_report_19904 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19904 _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 43 GLN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HG2" 1.0000 19904 1 1 1 1 43 GLN . . . . . . "HA > HG3" 0.9995 19904 1 1 1 1 43 GLN . . . . . . "HE21 > HA" 0.9988 19904 1 1 1 1 43 GLN . . . . . . "HE22 > HA" 0.9976 19904 1 1 1 1 43 GLN . . . . . . "HE21 > HG2" 1.0000 19904 1 1 1 1 43 GLN . . . . . . "HE22 > HG2" 1.0000 19904 1 1 1 1 43 GLN . . . . . . "HE21 > HG3" 0.9994 19904 1 1 1 1 43 GLN . . . . . . "HE22 > HG3" 1.0000 19904 1 1 1 1 48 GLN Anomalous Consistent Suspicious Anomalous Consistent Consistent "HA > HG2" 1.0000 19904 1 1 1 1 48 GLN . . . . . . "HA > HG3" 0.9995 19904 1 1 1 1 48 GLN . . . . . . "HE21 > HA" 0.9988 19904 1 1 1 1 48 GLN . . . . . . "HE22 > HA" 0.9976 19904 1 1 1 1 48 GLN . . . . . . "HE21 > HG2" 1.0000 19904 1 1 1 1 48 GLN . . . . . . "HE22 > HG2" 1.0000 19904 1 1 1 1 48 GLN . . . . . . "HE21 > HG3" 0.9994 19904 1 1 1 1 48 GLN . . . . . . "HE22 > HG3" 1.0000 19904 1 1 1 1 62 GLN Anomalous Consistent Suspicious Anomalous Consistent Consistent "H > HG2" 1.0000 19904 1 1 1 1 62 GLN . . . . . . "HA > HG2" 1.0000 19904 1 1 1 1 62 GLN . . . . . . "HA > HG3" 0.9995 19904 1 1 1 1 62 GLN . . . . . . "HE21 > HA" 0.9988 19904 1 1 1 1 62 GLN . . . . . . "HE22 > HA" 0.9976 19904 1 1 1 1 62 GLN . . . . . . "HE21 > HG2" 1.0000 19904 1 1 1 1 62 GLN . . . . . . "HE22 > HG2" 1.0000 19904 1 1 1 1 62 GLN . . . . . . "HE21 > HG3" 0.9994 19904 1 1 1 1 62 GLN . . . . . . "HE22 > HG3" 1.0000 19904 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 43 GLN C 178.639 . 176.31 1.95 2.3234e-01 19904 1 1 1 1 43 GLN CA 58.629 . 56.57 2.14 3.3597e-01 19904 1 1 1 1 43 GLN CB 27.777 . 29.19 1.82 4.3753e-01 19904 1 1 1 1 43 GLN CG 33.627 . 33.76 1.11 9.0463e-01 19904 1 1 1 1 43 GLN H 8.275 . 8.22 0.59 9.2573e-01 19904 1 1 1 1 43 GLN HA 3.963 . 4.27 0.44 4.8535e-01 19904 1 1 1 1 43 GLN HB2 2.176 . 2.05 0.25 6.1426e-01 19904 1 1 1 1 43 GLN HB3 2.008 . 2.02 0.28 9.6582e-01 19904 1 1 1 1 43 GLN HG2 7.187 A 2.32 0.27 1.2195e-72 19904 1 1 1 1 43 GLN HG3 6.682 A 2.29 0.29 8.1969e-52 19904 1 1 1 1 43 GLN HE21 2.540 A 7.24 0.45 1.5536e-25 19904 1 1 1 1 43 GLN HE22 2.334 A 7.02 0.44 1.7437e-26 19904 1 1 1 1 43 GLN N 114.196 . 119.89 3.6 1.1373e-01 19904 1 1 1 1 43 GLN NE2 110.045 . 111.87 1.72 2.8867e-01 19904 1 1 1 1 48 GLN C 176.153 . 176.31 1.95 9.3583e-01 19904 1 1 1 1 48 GLN CA 57.455 . 56.57 2.14 6.7920e-01 19904 1 1 1 1 48 GLN CB 27.999 . 29.19 1.82 5.1286e-01 19904 1 1 1 1 48 GLN CG 33.648 . 33.76 1.11 9.1963e-01 19904 1 1 1 1 48 GLN H 7.615 . 8.22 0.59 3.0516e-01 19904 1 1 1 1 48 GLN HA 3.947 . 4.27 0.44 4.6289e-01 19904 1 1 1 1 48 GLN HB2 1.959 . 2.05 0.25 7.1586e-01 19904 1 1 1 1 48 GLN HB3 1.817 . 2.02 0.28 4.6845e-01 19904 1 1 1 1 48 GLN HG2 7.337 A 2.32 0.27 4.5380e-77 19904 1 1 1 1 48 GLN HG3 6.703 A 2.29 0.29 2.7175e-52 19904 1 1 1 1 48 GLN HE21 2.483 A 7.24 0.45 4.0566e-26 19904 1 1 1 1 48 GLN HE22 2.299 A 7.02 0.44 7.3959e-27 19904 1 1 1 1 48 GLN N 116.773 . 119.89 3.6 3.8658e-01 19904 1 1 1 1 48 GLN NE2 110.495 . 111.87 1.72 4.2405e-01 19904 1 1 1 1 62 GLN C 174.813 . 176.31 1.95 4.4267e-01 19904 1 1 1 1 62 GLN CA 59.025 . 56.57 2.14 2.5130e-01 19904 1 1 1 1 62 GLN CB 27.967 . 29.19 1.82 5.0160e-01 19904 1 1 1 1 62 GLN CG 33.224 . 33.76 1.11 6.2918e-01 19904 1 1 1 1 62 GLN H 7.462 . 8.22 0.59 1.9888e-01 19904 1 1 1 1 62 GLN HA 3.762 . 4.27 0.44 2.4828e-01 19904 1 1 1 1 62 GLN HB2 2.074 . 2.05 0.25 9.2352e-01 19904 1 1 1 1 62 GLN HB3 2.105 . 2.02 0.28 7.6145e-01 19904 1 1 1 1 62 GLN HG2 7.732 A 2.32 0.27 0.0000e+00 19904 1 1 1 1 62 GLN HG3 6.718 A 2.29 0.29 1.2311e-52 19904 1 1 1 1 62 GLN HE21 2.360 A 7.24 0.45 2.1192e-27 19904 1 1 1 1 62 GLN HE22 2.334 A 7.02 0.44 1.7437e-26 19904 1 1 1 1 62 GLN N 117.732 . 119.89 3.6 5.4888e-01 19904 1 1 1 1 62 GLN NE2 115.518 . 111.87 1.72 3.3928e-02 19904 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 43 GLN CYS 0.35 19904 1 1 1 1 43 GLN GLN 0.24 19904 1 1 1 1 43 GLN LYS 0.2 19904 1 1 1 1 43 GLN ARG 0.11 19904 1 1 1 1 43 GLN GLU 0.03 19904 1 1 1 1 43 GLN ILE 0.02 19904 1 1 1 1 43 GLN MET 0.01 19904 1 1 1 1 48 GLN CYS 0.29 19904 1 1 1 1 48 GLN GLN 0.27 19904 1 1 1 1 48 GLN LYS 0.24 19904 1 1 1 1 48 GLN ARG 0.11 19904 1 1 1 1 48 GLN GLU 0.04 19904 1 1 1 1 48 GLN MET 0.02 19904 1 1 1 1 48 GLN ILE 0.01 19904 1 1 1 1 62 GLN CYS 0.36 19904 1 1 1 1 62 GLN LYS 0.23 19904 1 1 1 1 62 GLN GLN 0.21 19904 1 1 1 1 62 GLN ARG 0.13 19904 1 1 1 1 62 GLN MET 0.01 19904 1 1 1 1 62 GLN GLU 0.01 19904 1 1 1 1 62 GLN ILE 0.01 19904 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19904 _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 19904 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19904 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19904 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19904 _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_