data_AVS_bmrb_pdb_report_15695 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15695 _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 15695 1 1 1 1 15 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 15695 1 1 1 1 15 ARG . . . . . . "HD3 > HB3" 0.9958 15695 1 1 1 1 15 ARG . . . . . . "HD3 > HG2" 0.9974 15695 1 1 1 1 24 LEU 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 15695 1 1 1 1 15 ARG C 171.91 . 176.49 2.16 3.3975e-02 15695 1 1 1 1 15 ARG CA 54.22 . 56.95 2.41 2.5731e-01 15695 1 1 1 1 15 ARG CB 32.99 . 30.66 1.77 1.8804e-01 15695 1 1 1 1 15 ARG CG 25.21 . 27.31 1.65 2.0311e-01 15695 1 1 1 1 15 ARG CD 42.40 . 43.1 1.1 5.2454e-01 15695 1 1 1 1 15 ARG H 9.34 . 8.24 0.6 6.6753e-02 15695 1 1 1 1 15 ARG HA 4.74 . 4.27 0.44 2.8544e-01 15695 1 1 1 1 15 ARG HB2 1.58 . 1.79 0.28 4.5325e-01 15695 1 1 1 1 15 ARG HB3 1.31 . 1.78 0.28 9.3236e-02 15695 1 1 1 1 15 ARG HG2 1.12 . 1.58 0.27 8.8436e-02 15695 1 1 1 1 15 ARG HG3 0.66 S 1.58 0.27 6.5583e-04 15695 1 1 1 1 15 ARG HD2 2.05 S 3.13 0.23 2.6576e-06 15695 1 1 1 1 15 ARG HD3 0.68 M 3.13 0.22 8.3458e-29 15695 1 1 1 1 15 ARG N 123.15 . 120.61 3.9 5.1486e-01 15695 1 1 1 1 24 LEU C 174.54 . 176.97 2.09 2.4496e-01 15695 1 1 1 1 24 LEU CA 53.37 . 55.65 2.21 3.0222e-01 15695 1 1 1 1 24 LEU CB 40.48 . 42.37 1.86 3.0957e-01 15695 1 1 1 1 24 LEU CG 26.31 . 26.77 1.25 7.1287e-01 15695 1 1 1 1 24 LEU CD1 25.71 . 24.73 1.71 5.6658e-01 15695 1 1 1 1 24 LEU CD2 20.36 . 24.1 1.78 3.5630e-02 15695 1 1 1 1 24 LEU H 8.12 . 8.22 0.65 8.7773e-01 15695 1 1 1 1 24 LEU HA 3.71 . 4.32 0.47 1.9433e-01 15695 1 1 1 1 24 LEU HB2 0.83 . 1.63 0.34 1.8626e-02 15695 1 1 1 1 24 LEU HB3 -1.49 M 1.57 0.36 1.8959e-17 15695 1 1 1 1 24 LEU HG 0.57 . 1.54 0.33 3.2885e-03 15695 1 1 1 1 24 LEU HD1 0.41 . 0.77 0.27 1.8242e-01 15695 1 1 1 1 24 LEU HD2 -0.47 S 0.76 0.28 1.1187e-05 15695 1 1 1 1 24 LEU N 128.46 . 121.98 4.07 1.1135e-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 15695 1 1 1 1 15 ARG LYS 0.7 15695 1 1 1 1 15 ARG ARG 0.25 15695 1 1 1 1 15 ARG GLY 0.03 15695 1 1 1 1 24 LEU ALA 0.76 15695 1 1 1 1 24 LEU LEU 0.23 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15695 _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 15695 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 15695 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15695 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15695 _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_