data_AVS_bmrb_pdb_report_17207 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17207 _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 86 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 17207 1 1 1 1 88 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17207 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 86 LEU C 177.901 . 176.97 2.09 6.5599e-01 17207 1 1 1 1 86 LEU CA 53.053 . 55.65 2.21 2.3995e-01 17207 1 1 1 1 86 LEU CB 44.704 . 42.37 1.86 2.0954e-01 17207 1 1 1 1 86 LEU CG 27.518 . 26.77 1.25 5.4957e-01 17207 1 1 1 1 86 LEU CD1 26.144 . 24.73 1.71 4.0829e-01 17207 1 1 1 1 86 LEU CD2 23.354 . 24.1 1.78 6.7514e-01 17207 1 1 1 1 86 LEU H 7.070 . 8.22 0.65 7.6855e-02 17207 1 1 1 1 86 LEU HA 4.978 . 4.32 0.47 1.6151e-01 17207 1 1 1 1 86 LEU HB2 1.976 . 1.63 0.34 3.0885e-01 17207 1 1 1 1 86 LEU HB3 1.482 . 1.57 0.36 8.0689e-01 17207 1 1 1 1 86 LEU HG 1.545 . 1.54 0.33 9.8791e-01 17207 1 1 1 1 86 LEU HD11 0.927 . 0.77 0.27 5.6092e-01 17207 1 1 1 1 86 LEU HD12 0.927 . 0.77 0.27 5.6092e-01 17207 1 1 1 1 86 LEU HD13 0.927 . 0.77 0.27 5.6092e-01 17207 1 1 1 1 86 LEU HD21 1.042 . 0.76 0.28 3.1387e-01 17207 1 1 1 1 86 LEU HD22 1.042 . 0.76 0.28 3.1387e-01 17207 1 1 1 1 86 LEU HD23 1.042 . 0.76 0.28 3.1387e-01 17207 1 1 1 1 86 LEU N 109.696 A 121.98 4.07 2.5430e-03 17207 1 1 1 1 88 ARG C 172.758 . 176.49 2.16 8.4028e-02 17207 1 1 1 1 88 ARG CA 54.690 . 56.95 2.41 3.4837e-01 17207 1 1 1 1 88 ARG CB 31.875 . 30.66 1.77 4.9244e-01 17207 1 1 1 1 88 ARG CG 26.132 . 27.31 1.65 4.7526e-01 17207 1 1 1 1 88 ARG CD 42.704 . 43.1 1.1 7.1885e-01 17207 1 1 1 1 88 ARG H 7.633 . 8.24 0.6 3.1170e-01 17207 1 1 1 1 88 ARG HA 4.554 . 4.27 0.44 5.1863e-01 17207 1 1 1 1 88 ARG HB2 1.712 . 1.79 0.28 7.8057e-01 17207 1 1 1 1 88 ARG HB3 1.511 . 1.78 0.28 3.3670e-01 17207 1 1 1 1 88 ARG HG2 0.989 . 1.58 0.27 2.8605e-02 17207 1 1 1 1 88 ARG HG3 0.934 . 1.58 0.27 1.6730e-02 17207 1 1 1 1 88 ARG HD2 2.538 . 3.13 0.23 1.0056e-02 17207 1 1 1 1 88 ARG HD3 2.641 . 3.13 0.22 2.6234e-02 17207 1 1 1 1 88 ARG HE 9.756 S 7.32 0.52 2.8049e-06 17207 1 1 1 1 88 ARG HH11 8.443 S 6.74 0.31 3.9394e-08 17207 1 1 1 1 88 ARG HH12 8.630 S 6.75 0.32 4.2284e-09 17207 1 1 1 1 88 ARG HH21 8.443 A 6.72 0.32 7.2697e-08 17207 1 1 1 1 88 ARG HH22 8.630 A 6.72 0.33 7.1281e-09 17207 1 1 1 1 88 ARG N 112.633 . 120.61 3.9 4.0817e-02 17207 1 1 1 1 88 ARG NE 84.714 . 89.8 12.83 6.9180e-01 17207 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 86 LEU GLY 0.5 17207 1 1 1 1 86 LEU LEU 0.39 17207 1 1 1 1 86 LEU ARG 0.05 17207 1 1 1 1 86 LEU ALA 0.04 17207 1 1 1 1 88 ARG ARG 0.53 17207 1 1 1 1 88 ARG LYS 0.41 17207 1 1 1 1 88 ARG GLY 0.04 17207 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17207 _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.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 17207 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17207 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17207 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17207 _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_