data_AVS_bmrb_pdb_report_6938 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6938 _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 6938 1 1 1 1 62 GLN Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6938 1 1 1 1 76 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6938 1 1 1 1 83 GLU 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 6938 1 1 1 1 62 GLN C 174.790 . 176.39 1.96 4.1431e-01 6938 1 1 1 1 62 GLN CA 55.170 . 56.62 2.19 5.0791e-01 6938 1 1 1 1 62 GLN CB 28.810 . 29.1 1.97 8.8297e-01 6938 1 1 1 1 62 GLN CG 30.580 . 33.72 1.1 4.3098e-03 6938 1 1 1 1 62 GLN H 7.380 . 8.22 0.62 1.7547e-01 6938 1 1 1 1 62 GLN HA 4.120 . 4.28 0.44 7.1613e-01 6938 1 1 1 1 62 GLN HB2 1.630 . 2.05 0.28 1.3361e-01 6938 1 1 1 1 62 GLN HB3 1.430 . 2.04 0.29 3.5427e-02 6938 1 1 1 1 62 GLN HG2 0.110 S 2.32 0.29 2.5232e-14 6938 1 1 1 1 62 GLN HG3 -0.240 M 2.32 0.29 1.0696e-18 6938 1 1 1 1 62 GLN HE21 6.490 . 7.17 0.46 1.3934e-01 6938 1 1 1 1 62 GLN HE22 6.130 . 7.07 0.49 5.5065e-02 6938 1 1 1 1 62 GLN N 112.400 . 119.92 4.01 6.0750e-02 6938 1 1 1 1 62 GLN NE2 109.010 . 111.81 2.2 2.0311e-01 6938 1 1 1 1 76 GLU C 176.590 . 176.93 2.11 8.7199e-01 6938 1 1 1 1 76 GLU CA 55.550 . 57.42 2.19 3.9317e-01 6938 1 1 1 1 76 GLU CB 29.940 . 30.07 1.84 9.4367e-01 6938 1 1 1 1 76 GLU CG 34.680 . 36.01 1.51 3.7843e-01 6938 1 1 1 1 76 GLU H 7.920 . 8.34 0.61 4.9112e-01 6938 1 1 1 1 76 GLU HA 3.880 . 4.26 0.43 3.7685e-01 6938 1 1 1 1 76 GLU HB2 1.740 . 2.04 0.22 1.7268e-01 6938 1 1 1 1 76 GLU HB3 0.940 S 2.04 0.23 1.7303e-06 6938 1 1 1 1 76 GLU HG2 1.230 S 2.31 0.21 2.7059e-07 6938 1 1 1 1 76 GLU HG3 0.830 M 2.31 0.21 1.8201e-12 6938 1 1 1 1 76 GLU N 114.880 . 120.68 3.68 1.1501e-01 6938 1 1 1 1 83 GLU C 175.200 . 176.93 2.11 4.1227e-01 6938 1 1 1 1 83 GLU CA 55.410 . 57.42 2.19 3.5872e-01 6938 1 1 1 1 83 GLU CB 29.690 . 30.07 1.84 8.3638e-01 6938 1 1 1 1 83 GLU CG 35.400 . 36.01 1.51 6.8623e-01 6938 1 1 1 1 83 GLU H 8.330 . 8.34 0.61 9.8692e-01 6938 1 1 1 1 83 GLU HA 3.540 . 4.26 0.43 9.4048e-02 6938 1 1 1 1 83 GLU HB2 1.170 S 2.04 0.22 7.6680e-05 6938 1 1 1 1 83 GLU HB3 -0.190 M 2.04 0.23 3.1462e-22 6938 1 1 1 1 83 GLU HG2 1.440 S 2.31 0.21 3.4301e-05 6938 1 1 1 1 83 GLU HG3 0.670 M 2.31 0.21 5.7404e-15 6938 1 1 1 1 83 GLU N 124.430 . 120.68 3.68 3.0819e-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 6938 1 1 1 1 62 GLN ARG 0.31 6938 1 1 1 1 62 GLN CYS 0.31 6938 1 1 1 1 62 GLN LYS 0.25 6938 1 1 1 1 62 GLN MET 0.09 6938 1 1 1 1 62 GLN GLN 0.01 6938 1 1 1 1 76 GLU CYS 0.25 6938 1 1 1 1 76 GLU GLN 0.22 6938 1 1 1 1 76 GLU GLU 0.2 6938 1 1 1 1 76 GLU LYS 0.17 6938 1 1 1 1 76 GLU MET 0.12 6938 1 1 1 1 76 GLU ARG 0.01 6938 1 1 1 1 83 GLU CYS 0.29 6938 1 1 1 1 83 GLU GLU 0.28 6938 1 1 1 1 83 GLU LYS 0.15 6938 1 1 1 1 83 GLU GLN 0.15 6938 1 1 1 1 83 GLU MET 0.09 6938 1 1 1 1 83 GLU ILE 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6938 _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 6938 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 6938 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6938 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6938 _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_