data_AVS_bmrb_pdb_report_10011 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10011 _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 10011 1 1 1 1 53 ARG Anomalous Consistent Consistent Suspicious Anomalous Consistent . . 10011 1 1 1 1 68 LEU Anomalous Consistent Consistent Consistent Anomalous 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 10011 1 1 1 1 53 ARG C 176.642 . 176.49 2.16 9.4390e-01 10011 1 1 1 1 53 ARG CA 61.003 . 56.95 2.41 9.2619e-02 10011 1 1 1 1 53 ARG CB 30.198 . 30.66 1.77 7.9408e-01 10011 1 1 1 1 53 ARG CG 24.205 . 27.31 1.65 5.9861e-02 10011 1 1 1 1 53 ARG CD 45.852 M 43.1 1.1 1.2356e-02 10011 1 1 1 1 53 ARG H 8.856 . 8.24 0.6 3.0458e-01 10011 1 1 1 1 53 ARG HA 3.424 . 4.27 0.44 5.4514e-02 10011 1 1 1 1 53 ARG HB2 1.347 . 1.79 0.28 1.1362e-01 10011 1 1 1 1 53 ARG HB3 1.198 . 1.78 0.28 3.7657e-02 10011 1 1 1 1 53 ARG HG2 1.666 . 1.58 0.27 7.5009e-01 10011 1 1 1 1 53 ARG HG3 1.491 . 1.58 0.27 7.4168e-01 10011 1 1 1 1 53 ARG HD2 2.740 . 3.13 0.23 8.9952e-02 10011 1 1 1 1 53 ARG HD3 3.000 . 3.13 0.22 5.5458e-01 10011 1 1 1 1 53 ARG HE 9.568 S 7.32 0.52 1.5387e-05 10011 1 1 1 1 53 ARG HH11 7.455 . 6.74 0.31 2.1085e-02 10011 1 1 1 1 53 ARG HH12 7.455 . 6.75 0.32 2.7586e-02 10011 1 1 1 1 53 ARG HH21 7.257 . 6.72 0.32 9.3323e-02 10011 1 1 1 1 53 ARG HH22 7.257 . 6.72 0.33 1.0368e-01 10011 1 1 1 1 53 ARG N 123.564 . 120.61 3.9 4.4879e-01 10011 1 1 1 1 53 ARG NE 84.181 . 89.8 12.83 6.6142e-01 10011 1 1 1 1 68 LEU C 177.896 . 176.97 2.09 6.5772e-01 10011 1 1 1 1 68 LEU CA 53.891 . 55.65 2.21 4.2607e-01 10011 1 1 1 1 68 LEU CB 41.457 . 42.37 1.86 6.2353e-01 10011 1 1 1 1 68 LEU CG 28.131 . 26.77 1.25 2.7624e-01 10011 1 1 1 1 68 LEU CD1 23.059 . 24.73 1.71 3.2847e-01 10011 1 1 1 1 68 LEU CD2 29.524 M 24.1 1.78 2.3099e-03 10011 1 1 1 1 68 LEU H 10.349 . 8.22 0.65 1.0552e-03 10011 1 1 1 1 68 LEU HA 4.822 . 4.32 0.47 2.8548e-01 10011 1 1 1 1 68 LEU HB2 2.142 . 1.63 0.34 1.3210e-01 10011 1 1 1 1 68 LEU HB3 2.055 . 1.57 0.36 1.7791e-01 10011 1 1 1 1 68 LEU HG 1.401 . 1.54 0.33 6.7360e-01 10011 1 1 1 1 68 LEU HD1 0.991 . 0.77 0.27 4.1306e-01 10011 1 1 1 1 68 LEU HD2 1.162 . 0.76 0.28 1.5108e-01 10011 1 1 1 1 68 LEU N 132.001 . 121.98 4.07 1.3810e-02 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 10011 1 1 1 1 53 ARG GLY 0.58 10011 1 1 1 1 53 ARG CYS 0.4 10011 1 1 1 1 53 ARG ARG 0.01 10011 1 1 1 1 68 LEU CYS 0.4 10011 1 1 1 1 68 LEU ARG 0.29 10011 1 1 1 1 68 LEU LYS 0.18 10011 1 1 1 1 68 LEU ALA 0.06 10011 1 1 1 1 68 LEU LEU 0.02 10011 1 1 1 1 68 LEU MET 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10011 _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 10011 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 10011 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10011 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10011 _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_