data_AVS_bmrb_pdb_report_4901 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4901 _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 4901 1 1 1 1 31 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 4901 1 1 1 1 66 GLN 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 4901 1 1 1 1 31 GLU CA 55.16 . 57.42 2.19 3.0209e-01 4901 1 1 1 1 31 GLU CB 30.93 . 30.07 1.84 6.4022e-01 4901 1 1 1 1 31 GLU CG 35.28 . 36.01 1.51 6.2878e-01 4901 1 1 1 1 31 GLU H 8.77 . 8.34 0.61 4.8086e-01 4901 1 1 1 1 31 GLU HA 4.38 . 4.26 0.43 7.8019e-01 4901 1 1 1 1 31 GLU HB2 2.35 . 2.04 0.22 1.5881e-01 4901 1 1 1 1 31 GLU HB3 1.84 . 2.04 0.23 3.8454e-01 4901 1 1 1 1 31 GLU HG2 2.38 . 2.31 0.21 7.3888e-01 4901 1 1 1 1 31 GLU HG3 2.22 . 2.31 0.21 6.6823e-01 4901 1 1 1 1 31 GLU N 107.31 M 120.68 3.68 2.7998e-04 4901 1 1 1 1 66 GLN CA 53.91 . 56.62 2.19 2.1592e-01 4901 1 1 1 1 66 GLN CB 32.79 . 29.1 1.97 6.1055e-02 4901 1 1 1 1 66 GLN CG 34.65 . 33.72 1.1 3.9786e-01 4901 1 1 1 1 66 GLN H 8.75 . 8.22 0.62 3.9264e-01 4901 1 1 1 1 66 GLN HA 6.23 M 4.28 0.44 9.3442e-06 4901 1 1 1 1 66 GLN HB2 2.05 . 2.05 0.28 1.0000e+00 4901 1 1 1 1 66 GLN HB3 1.99 . 2.04 0.29 8.6311e-01 4901 1 1 1 1 66 GLN HG2 2.38 . 2.32 0.29 8.3609e-01 4901 1 1 1 1 66 GLN HG3 2.20 . 2.32 0.29 6.7903e-01 4901 1 1 1 1 66 GLN HE21 7.56 . 7.17 0.46 3.9654e-01 4901 1 1 1 1 66 GLN HE22 6.89 . 7.07 0.49 7.1336e-01 4901 1 1 1 1 66 GLN N 125.90 . 119.92 4.01 1.3589e-01 4901 1 1 1 1 66 GLN NE2 110.48 . 111.81 2.2 5.4548e-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 4901 1 1 1 1 31 GLU CYS 0.3 4901 1 1 1 1 31 GLU GLU 0.25 4901 1 1 1 1 31 GLU MET 0.22 4901 1 1 1 1 31 GLU GLN 0.13 4901 1 1 1 1 31 GLU LYS 0.07 4901 1 1 1 1 66 GLN MET 0.41 4901 1 1 1 1 66 GLN CYS 0.39 4901 1 1 1 1 66 GLN GLU 0.09 4901 1 1 1 1 66 GLN GLN 0.08 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4901 _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 4901 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 4901 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 4901 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4901 _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_