data_AVS_bmrb_pdb_report_10002 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10002 _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 10002 1 1 1 1 27 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 10002 1 1 1 1 27 ARG . . . . . . "HD3 > HB3" 0.9958 10002 1 1 1 1 27 ARG . . . . . . "HD3 > HG3" 0.9982 10002 1 1 1 1 29 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 10002 1 1 1 1 29 ARG . . . . . . "HD3 > HB3" 0.9958 10002 1 1 1 1 29 ARG . . . . . . "HD3 > HG2" 0.9974 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 10002 1 1 1 1 27 ARG C 173.996 . 176.49 2.16 2.4824e-01 10002 1 1 1 1 27 ARG CA 55.527 . 56.95 2.41 5.5488e-01 10002 1 1 1 1 27 ARG CB 33.198 . 30.66 1.77 1.5160e-01 10002 1 1 1 1 27 ARG CG 23.481 . 27.31 1.65 2.0308e-02 10002 1 1 1 1 27 ARG CD 43.540 . 43.1 1.1 6.8916e-01 10002 1 1 1 1 27 ARG H 8.647 . 8.24 0.6 4.9756e-01 10002 1 1 1 1 27 ARG HA 4.482 . 4.27 0.44 6.2993e-01 10002 1 1 1 1 27 ARG HB2 1.394 . 1.79 0.28 1.5728e-01 10002 1 1 1 1 27 ARG HB3 0.645 S 1.78 0.28 5.0442e-05 10002 1 1 1 1 27 ARG HG2 -0.359 S 1.58 0.27 6.8960e-13 10002 1 1 1 1 27 ARG HG3 0.237 S 1.58 0.27 6.5560e-07 10002 1 1 1 1 27 ARG HD2 1.853 S 3.13 0.23 2.8214e-08 10002 1 1 1 1 27 ARG HD3 0.151 M 3.13 0.22 8.9672e-42 10002 1 1 1 1 27 ARG HE 6.108 . 7.32 0.52 1.9766e-02 10002 1 1 1 1 27 ARG N 117.435 . 120.61 3.9 4.1559e-01 10002 1 1 1 1 27 ARG NE 83.817 . 89.8 12.83 6.4098e-01 10002 1 1 1 1 29 ARG C 173.077 . 176.49 2.16 1.1409e-01 10002 1 1 1 1 29 ARG CA 55.100 . 56.95 2.41 4.4270e-01 10002 1 1 1 1 29 ARG CB 32.544 . 30.66 1.77 2.8714e-01 10002 1 1 1 1 29 ARG CG 25.084 . 27.31 1.65 1.7731e-01 10002 1 1 1 1 29 ARG CD 43.230 . 43.1 1.1 9.0592e-01 10002 1 1 1 1 29 ARG H 8.865 . 8.24 0.6 2.9757e-01 10002 1 1 1 1 29 ARG HA 4.375 . 4.27 0.44 8.1139e-01 10002 1 1 1 1 29 ARG HB2 1.422 . 1.79 0.28 1.8875e-01 10002 1 1 1 1 29 ARG HB3 0.818 S 1.78 0.28 5.9099e-04 10002 1 1 1 1 29 ARG HG2 0.628 S 1.58 0.27 4.2200e-04 10002 1 1 1 1 29 ARG HG3 0.345 S 1.58 0.27 4.7833e-06 10002 1 1 1 1 29 ARG HD2 2.151 S 3.13 0.23 2.0763e-05 10002 1 1 1 1 29 ARG HD3 0.533 M 3.13 0.22 3.6978e-32 10002 1 1 1 1 29 ARG HE 5.922 . 7.32 0.52 7.1782e-03 10002 1 1 1 1 29 ARG N 120.612 . 120.61 3.9 9.9959e-01 10002 1 1 1 1 29 ARG NE 86.264 . 89.8 12.83 7.8285e-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 10002 1 1 1 1 27 ARG CYS 0.57 10002 1 1 1 1 27 ARG LYS 0.2 10002 1 1 1 1 27 ARG GLY 0.14 10002 1 1 1 1 27 ARG ARG 0.06 10002 1 1 1 1 27 ARG ALA 0.01 10002 1 1 1 1 29 ARG CYS 0.39 10002 1 1 1 1 29 ARG LYS 0.29 10002 1 1 1 1 29 ARG ARG 0.23 10002 1 1 1 1 29 ARG GLY 0.07 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10002 _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 10002 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 10002 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10002 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10002 _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_