data_AVS_bmrb_pdb_report_4819 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4819 _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 4819 1 1 1 1 37 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 4819 1 1 1 1 60 GLU Anomalous Consistent Consistent Consistent Anomalous Consistent . . 4819 1 1 1 1 68 THR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 4819 1 1 1 1 37 GLU C 176.66 . 176.93 2.11 8.9818e-01 4819 1 1 1 1 37 GLU CA 56.56 . 57.42 2.19 6.9455e-01 4819 1 1 1 1 37 GLU CB 33.02 . 30.07 1.84 1.0888e-01 4819 1 1 1 1 37 GLU CG 38.84 . 36.01 1.51 6.0907e-02 4819 1 1 1 1 37 GLU CD 184.83 M 181.94 1.85 1.1825e-01 4819 1 1 1 1 37 GLU H 7.92 . 8.34 0.61 4.9112e-01 4819 1 1 1 1 37 GLU HA 4.74 . 4.26 0.43 2.6430e-01 4819 1 1 1 1 37 GLU HB2 2.60 . 2.04 0.22 1.0914e-02 4819 1 1 1 1 37 GLU HB3 2.11 . 2.04 0.23 7.6086e-01 4819 1 1 1 1 37 GLU HG2 2.49 . 2.31 0.21 3.9137e-01 4819 1 1 1 1 37 GLU HG3 2.31 . 2.31 0.21 1.0000e+00 4819 1 1 1 1 37 GLU N 119.19 . 120.68 3.68 6.8556e-01 4819 1 1 1 1 60 GLU C 175.53 . 176.93 2.11 5.0701e-01 4819 1 1 1 1 60 GLU CA 57.59 . 57.42 2.19 9.3813e-01 4819 1 1 1 1 60 GLU CB 26.44 . 30.07 1.84 4.8515e-02 4819 1 1 1 1 60 GLU CG 36.94 . 36.01 1.51 5.3796e-01 4819 1 1 1 1 60 GLU CD 185.05 M 181.94 1.85 9.2747e-02 4819 1 1 1 1 60 GLU H 7.36 . 8.34 0.61 1.0815e-01 4819 1 1 1 1 60 GLU HA 3.75 . 4.26 0.43 2.3560e-01 4819 1 1 1 1 60 GLU HB2 2.02 . 2.04 0.22 9.2757e-01 4819 1 1 1 1 60 GLU HB3 1.99 . 2.04 0.23 8.2790e-01 4819 1 1 1 1 60 GLU HG2 2.02 . 2.31 0.21 1.6729e-01 4819 1 1 1 1 60 GLU HG3 1.95 . 2.31 0.21 8.6476e-02 4819 1 1 1 1 60 GLU N 113.48 . 120.68 3.68 5.0404e-02 4819 1 1 1 1 68 THR C 173.70 . 174.6 1.8 6.1707e-01 4819 1 1 1 1 68 THR CA 60.14 . 62.15 2.72 4.5993e-01 4819 1 1 1 1 68 THR CB 69.19 . 69.64 1.7 7.9124e-01 4819 1 1 1 1 68 THR CG2 22.08 . 21.44 1.39 6.4521e-01 4819 1 1 1 1 68 THR H 8.80 . 8.27 0.62 3.9264e-01 4819 1 1 1 1 68 THR HA 4.87 . 4.48 0.5 4.3539e-01 4819 1 1 1 1 68 THR HB 4.48 . 4.17 0.37 4.0212e-01 4819 1 1 1 1 68 THR HG2 0.94 . 1.16 0.28 4.3204e-01 4819 1 1 1 1 68 THR N 11.74 M 115.7 5.05 0.0000e+00 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 4819 1 1 1 1 37 GLU CYS 0.92 4819 1 1 1 1 37 GLU GLU 0.06 4819 1 1 1 1 60 GLU CYS 0.87 4819 1 1 1 1 60 GLU GLU 0.12 4819 1 1 1 1 68 THR THR 0.84 4819 1 1 1 1 68 THR CYS 0.14 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4819 _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 4819 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 4819 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4819 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4819 _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_