data_AVS_bmrb_pdb_report_36037 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 36037 _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 5 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 36037 1 1 1 1 11 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 36037 1 1 1 1 19 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 36037 1 1 1 1 23 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 36037 1 1 1 1 61 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 36037 1 1 1 1 81 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 36037 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 5 ARG CA 55.992 . 56.77 2.31 7.3627e-01 36037 1 1 1 1 5 ARG CB 31.407 . 30.7 1.83 6.9925e-01 36037 1 1 1 1 5 ARG CG 26.721 . 27.21 1.2 6.8364e-01 36037 1 1 1 1 5 ARG CD 43.495 . 43.16 0.88 7.0344e-01 36037 1 1 1 1 5 ARG H 8.123 . 8.24 0.61 8.4790e-01 36037 1 1 1 1 5 ARG HA 4.218 . 4.3 0.46 8.5852e-01 36037 1 1 1 1 5 ARG HB2 1.654 . 1.79 0.27 6.1447e-01 36037 1 1 1 1 5 ARG HB3 1.373 . 1.76 0.28 1.6693e-01 36037 1 1 1 1 5 ARG HD2 2.759 . 3.12 0.24 1.3254e-01 36037 1 1 1 1 5 ARG HD3 2.759 . 3.1 0.26 1.8968e-01 36037 1 1 1 1 5 ARG HE 8.908 . 7.4 0.63 1.6682e-02 36037 1 1 1 1 5 ARG N 121.751 . 120.8 3.68 7.9608e-01 36037 1 1 1 1 5 ARG NE 111.456 A 84.63 1.68 2.1401e-57 36037 1 1 1 1 11 ARG CA 59.964 . 56.77 2.31 1.6676e-01 36037 1 1 1 1 11 ARG CB 30.185 . 30.7 1.83 7.7839e-01 36037 1 1 1 1 11 ARG CG 27.239 . 27.21 1.2 9.8072e-01 36037 1 1 1 1 11 ARG CD 43.641 . 43.16 0.88 5.8466e-01 36037 1 1 1 1 11 ARG H 8.809 . 8.24 0.61 3.5093e-01 36037 1 1 1 1 11 ARG HA 3.811 . 4.3 0.46 2.8776e-01 36037 1 1 1 1 11 ARG HB2 1.762 . 1.79 0.27 9.1740e-01 36037 1 1 1 1 11 ARG HG2 1.719 . 1.57 0.27 5.8105e-01 36037 1 1 1 1 11 ARG HG3 1.520 . 1.54 0.29 9.4502e-01 36037 1 1 1 1 11 ARG HD2 3.078 . 3.12 0.24 8.6108e-01 36037 1 1 1 1 11 ARG HE 7.441 . 7.4 0.63 9.4811e-01 36037 1 1 1 1 11 ARG N 124.055 . 120.8 3.68 3.7642e-01 36037 1 1 1 1 11 ARG NE 113.373 A 84.63 1.68 1.2732e-65 36037 1 1 1 1 19 ARG CA 59.559 . 56.77 2.31 2.2729e-01 36037 1 1 1 1 19 ARG CB 29.805 . 30.7 1.83 6.2479e-01 36037 1 1 1 1 19 ARG CG 28.265 . 27.21 1.2 3.7931e-01 36037 1 1 1 1 19 ARG CD 43.400 . 43.16 0.88 7.8506e-01 36037 1 1 1 1 19 ARG H 8.510 . 8.24 0.61 6.5804e-01 36037 1 1 1 1 19 ARG HA 3.941 . 4.3 0.46 4.3514e-01 36037 1 1 1 1 19 ARG HB2 1.746 . 1.79 0.27 8.7055e-01 36037 1 1 1 1 19 ARG HG2 1.580 . 1.57 0.27 9.7046e-01 36037 1 1 1 1 19 ARG HD2 3.028 . 3.12 0.24 7.0147e-01 36037 1 1 1 1 19 ARG HE 6.995 . 7.4 0.63 5.2032e-01 36037 1 1 1 1 19 ARG N 117.413 . 120.8 3.68 3.5737e-01 36037 1 1 1 1 19 ARG NE 112.243 A 84.63 1.68 1.0513e-60 36037 1 1 1 1 23 ARG CB 31.375 . 30.7 1.83 7.1224e-01 36037 1 1 1 1 23 ARG H 9.011 . 8.24 0.61 2.0625e-01 36037 1 1 1 1 23 ARG HA 4.229 . 4.3 0.46 8.7734e-01 36037 1 1 1 1 23 ARG HB2 2.923 S 1.79 0.27 2.7132e-05 36037 1 1 1 1 23 ARG HE 7.984 . 7.4 0.63 3.5393e-01 36037 1 1 1 1 23 ARG N 123.988 . 120.8 3.68 3.8632e-01 36037 1 1 1 1 23 ARG NE 125.296 A 84.63 1.68 0.0000e+00 36037 1 1 1 1 61 ARG CA 60.081 . 56.77 2.31 1.5176e-01 36037 1 1 1 1 61 ARG CB 28.388 . 30.7 1.83 2.0645e-01 36037 1 1 1 1 61 ARG CD 43.629 . 43.16 0.88 5.9406e-01 36037 1 1 1 1 61 ARG H 8.330 . 8.24 0.61 8.8271e-01 36037 1 1 1 1 61 ARG HA 3.549 . 4.3 0.46 1.0255e-01 36037 1 1 1 1 61 ARG HB2 1.769 . 1.79 0.27 9.3801e-01 36037 1 1 1 1 61 ARG HD2 2.738 . 3.12 0.24 1.1146e-01 36037 1 1 1 1 61 ARG HE 7.842 . 7.4 0.63 4.8294e-01 36037 1 1 1 1 61 ARG N 119.760 . 120.8 3.68 7.7748e-01 36037 1 1 1 1 61 ARG NE 118.194 A 84.63 1.68 8.4611e-89 36037 1 1 1 1 81 ARG CA 60.279 . 56.77 2.31 1.2875e-01 36037 1 1 1 1 81 ARG CB 29.259 . 30.7 1.83 4.3103e-01 36037 1 1 1 1 81 ARG H 8.486 . 8.24 0.61 6.8674e-01 36037 1 1 1 1 81 ARG HA 3.583 . 4.3 0.46 1.1907e-01 36037 1 1 1 1 81 ARG HB2 1.691 . 1.79 0.27 7.1387e-01 36037 1 1 1 1 81 ARG HB3 1.607 . 1.76 0.28 5.8477e-01 36037 1 1 1 1 81 ARG HG2 1.428 . 1.57 0.27 5.9894e-01 36037 1 1 1 1 81 ARG HE 7.346 . 7.4 0.63 9.3169e-01 36037 1 1 1 1 81 ARG N 118.685 . 120.8 3.68 5.6548e-01 36037 1 1 1 1 81 ARG NE 113.780 A 84.63 1.68 1.9320e-67 36037 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 5 ARG ARG 0.47 36037 1 1 1 1 5 ARG CYS 0.38 36037 1 1 1 1 5 ARG GLY 0.08 36037 1 1 1 1 5 ARG LYS 0.06 36037 1 1 1 1 11 ARG CYS 0.47 36037 1 1 1 1 11 ARG ARG 0.39 36037 1 1 1 1 11 ARG GLY 0.11 36037 1 1 1 1 11 ARG LYS 0.01 36037 1 1 1 1 19 ARG CYS 0.49 36037 1 1 1 1 19 ARG ARG 0.37 36037 1 1 1 1 19 ARG GLY 0.08 36037 1 1 1 1 19 ARG LYS 0.05 36037 1 1 1 1 23 ARG CYS 0.19 36037 1 1 1 1 23 ARG ARG 0.16 36037 1 1 1 1 23 ARG PRO 0.15 36037 1 1 1 1 23 ARG MET 0.13 36037 1 1 1 1 23 ARG VAL 0.1 36037 1 1 1 1 23 ARG GLU 0.09 36037 1 1 1 1 23 ARG LYS 0.09 36037 1 1 1 1 23 ARG GLN 0.05 36037 1 1 1 1 61 ARG CYS 0.49 36037 1 1 1 1 61 ARG ARG 0.19 36037 1 1 1 1 61 ARG GLY 0.14 36037 1 1 1 1 61 ARG ILE 0.06 36037 1 1 1 1 61 ARG LYS 0.05 36037 1 1 1 1 61 ARG LEU 0.05 36037 1 1 1 1 81 ARG CYS 0.28 36037 1 1 1 1 81 ARG ILE 0.22 36037 1 1 1 1 81 ARG GLU 0.12 36037 1 1 1 1 81 ARG LYS 0.11 36037 1 1 1 1 81 ARG ARG 0.08 36037 1 1 1 1 81 ARG GLN 0.08 36037 1 1 1 1 81 ARG VAL 0.04 36037 1 1 1 1 81 ARG MET 0.01 36037 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 36037 _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 36037 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 36037 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 36037 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 36037 _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_