data_AVS_bmrb_pdb_report_25510 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25510 _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 24 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25510 1 1 1 1 72 LEU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 25510 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 24 ARG C 178.260 . 176.41 2.03 3.6212e-01 25510 1 1 1 1 24 ARG CA 59.232 . 56.77 2.31 2.8651e-01 25510 1 1 1 1 24 ARG CB 29.794 . 30.7 1.83 6.2054e-01 25510 1 1 1 1 24 ARG CG 27.558 . 27.21 1.2 7.7182e-01 25510 1 1 1 1 24 ARG CD 43.293 . 43.16 0.88 8.7987e-01 25510 1 1 1 1 24 ARG H 7.397 . 8.24 0.61 1.6698e-01 25510 1 1 1 1 24 ARG HA 4.201 . 4.3 0.46 8.2960e-01 25510 1 1 1 1 24 ARG HB3 2.232 . 1.76 0.28 9.1851e-02 25510 1 1 1 1 24 ARG HG2 1.769 . 1.57 0.27 4.6110e-01 25510 1 1 1 1 24 ARG HG3 1.972 . 1.54 0.29 1.3631e-01 25510 1 1 1 1 24 ARG HD3 3.273 . 3.1 0.26 5.0580e-01 25510 1 1 1 1 24 ARG HE 6.793 . 7.4 0.63 3.3530e-01 25510 1 1 1 1 24 ARG N 119.502 . 120.8 3.68 7.2430e-01 25510 1 1 1 1 24 ARG NE 112.687 A 84.63 1.68 1.2976e-62 25510 1 1 1 1 72 LEU C 175.462 . 176.99 1.98 4.4028e-01 25510 1 1 1 1 72 LEU CA 55.069 . 55.62 2.13 7.9588e-01 25510 1 1 1 1 72 LEU CB 42.155 . 42.31 1.88 9.3429e-01 25510 1 1 1 1 72 LEU CG 26.198 . 26.78 1.1 5.9674e-01 25510 1 1 1 1 72 LEU CD1 23.835 . 24.72 1.59 5.7780e-01 25510 1 1 1 1 72 LEU CD2 26.520 . 24.05 1.7 1.4624e-01 25510 1 1 1 1 72 LEU H 7.866 . 8.23 0.65 5.7548e-01 25510 1 1 1 1 72 LEU HA 3.992 . 4.32 0.47 4.8526e-01 25510 1 1 1 1 72 LEU HB2 1.547 . 1.61 0.34 8.5300e-01 25510 1 1 1 1 72 LEU HB3 1.149 . 1.52 0.36 3.0275e-01 25510 1 1 1 1 72 LEU HG 0.806 . 1.51 0.33 3.2897e-02 25510 1 1 1 1 72 LEU HD11 0.637 . 0.75 0.28 6.8653e-01 25510 1 1 1 1 72 LEU HD12 0.637 . 0.75 0.28 6.8653e-01 25510 1 1 1 1 72 LEU HD13 0.637 . 0.75 0.28 6.8653e-01 25510 1 1 1 1 72 LEU HD21 7.206 A 0.73 0.29 0.0000e+00 25510 1 1 1 1 72 LEU HD22 7.206 A 0.73 0.29 0.0000e+00 25510 1 1 1 1 72 LEU HD23 7.206 A 0.73 0.29 0.0000e+00 25510 1 1 1 1 72 LEU N 117.830 . 121.86 3.9 3.0145e-01 25510 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 24 ARG ARG 0.8 25510 1 1 1 1 24 ARG GLY 0.12 25510 1 1 1 1 24 ARG LYS 0.07 25510 1 1 1 1 72 LEU LEU 0.84 25510 1 1 1 1 72 LEU ARG 0.11 25510 1 1 1 1 72 LEU ALA 0.02 25510 1 1 1 1 72 LEU GLY 0.01 25510 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25510 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 2011-12-10 _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 25510 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25510 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25510 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25510 _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_