data_AVS_bmrb_pdb_report_6261 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6261 _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 6261 1 1 1 1 40 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 6261 1 1 1 1 50 LEU 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 6261 1 1 1 1 40 GLU C 174.58 . 176.93 2.11 2.6539e-01 6261 1 1 1 1 40 GLU CA 55.69 . 57.42 2.19 4.2955e-01 6261 1 1 1 1 40 GLU CB 30.83 . 30.07 1.84 6.7957e-01 6261 1 1 1 1 40 GLU CG 34.81 . 36.01 1.51 4.2679e-01 6261 1 1 1 1 40 GLU H 8.69 . 8.34 0.61 5.6612e-01 6261 1 1 1 1 40 GLU HA 4.15 . 4.26 0.43 7.9809e-01 6261 1 1 1 1 40 GLU HB2 1.48 . 2.04 0.22 1.0914e-02 6261 1 1 1 1 40 GLU HB3 1.66 . 2.04 0.23 9.8499e-02 6261 1 1 1 1 40 GLU HG2 0.62 M 2.31 0.21 8.4420e-16 6261 1 1 1 1 40 GLU HG3 1.25 S 2.31 0.21 4.4735e-07 6261 1 1 1 1 40 GLU N 123.99 . 120.68 3.68 3.6841e-01 6261 1 1 1 1 50 LEU C 177.77 . 176.97 2.09 7.0189e-01 6261 1 1 1 1 50 LEU CA 56.92 . 55.65 2.21 5.6552e-01 6261 1 1 1 1 50 LEU CB 40.47 . 42.37 1.86 3.0702e-01 6261 1 1 1 1 50 LEU CG 28.47 . 26.77 1.25 1.7383e-01 6261 1 1 1 1 50 LEU CD1 23.25 . 24.73 1.71 3.8677e-01 6261 1 1 1 1 50 LEU CD2 22.93 . 24.1 1.78 5.1099e-01 6261 1 1 1 1 50 LEU H 9.22 . 8.22 0.65 1.2394e-01 6261 1 1 1 1 50 LEU HA 4.26 . 4.32 0.47 8.9842e-01 6261 1 1 1 1 50 LEU HB2 1.70 . 1.63 0.34 8.3688e-01 6261 1 1 1 1 50 LEU HB3 1.70 . 1.57 0.36 7.1802e-01 6261 1 1 1 1 50 LEU HG 1.61 . 1.54 0.33 8.3201e-01 6261 1 1 1 1 50 LEU HD1 0.99 . 0.77 0.27 4.1518e-01 6261 1 1 1 1 50 LEU HD2 0.85 . 0.76 0.28 7.4789e-01 6261 1 1 1 1 50 LEU N 106.22 M 121.98 4.07 1.0784e-04 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 6261 1 1 1 1 40 GLU GLU 0.3 6261 1 1 1 1 40 GLU MET 0.29 6261 1 1 1 1 40 GLU GLN 0.25 6261 1 1 1 1 40 GLU LYS 0.13 6261 1 1 1 1 50 LEU LEU 0.9 6261 1 1 1 1 50 LEU VAL 0.06 6261 1 1 1 1 50 LEU ALA 0.03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6261 _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 6261 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 6261 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6261 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6261 _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_