data_AVS_bmrb_pdb_report_15372 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15372 _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 15372 1 1 1 1 4 VAL Anomalous Consistent Consistent Consistent Anomalous Consistent . . 15372 1 1 1 1 21 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 15372 1 1 1 1 52 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 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 15372 1 1 1 1 4 VAL C 181.462 M 175.69 2.03 4.4642e-03 15372 1 1 1 1 4 VAL CA 65.071 . 62.48 3.04 3.9405e-01 15372 1 1 1 1 4 VAL CB 32.769 . 32.66 1.91 9.5449e-01 15372 1 1 1 1 4 VAL CG1 21.538 . 21.38 1.53 9.1775e-01 15372 1 1 1 1 4 VAL CG2 23.408 . 21.31 1.76 2.3324e-01 15372 1 1 1 1 4 VAL H 7.452 . 8.29 0.71 2.3789e-01 15372 1 1 1 1 4 VAL HA 3.976 . 4.16 0.57 7.4684e-01 15372 1 1 1 1 4 VAL HB 1.711 . 1.99 0.33 3.9786e-01 15372 1 1 1 1 4 VAL HG1 1.035 . 0.84 0.27 4.7016e-01 15372 1 1 1 1 4 VAL HG2 0.971 . 0.83 0.29 6.2682e-01 15372 1 1 1 1 4 VAL N 117.425 . 121.02 4.96 4.6858e-01 15372 1 1 1 1 21 ARG C 176.420 . 176.49 2.16 9.7415e-01 15372 1 1 1 1 21 ARG CA 57.565 . 56.95 2.41 7.9858e-01 15372 1 1 1 1 21 ARG CB 31.129 . 30.66 1.77 7.9103e-01 15372 1 1 1 1 21 ARG CG 28.689 . 27.31 1.65 4.0329e-01 15372 1 1 1 1 21 ARG CD 44.596 . 43.1 1.1 1.7383e-01 15372 1 1 1 1 21 ARG H 7.111 . 8.24 0.6 5.9882e-02 15372 1 1 1 1 21 ARG HA 4.557 . 4.27 0.44 5.1423e-01 15372 1 1 1 1 21 ARG HB2 1.783 . 1.79 0.28 9.8006e-01 15372 1 1 1 1 21 ARG HB3 1.829 . 1.78 0.28 8.6108e-01 15372 1 1 1 1 21 ARG HG2 1.943 . 1.58 0.27 1.7880e-01 15372 1 1 1 1 21 ARG HG3 1.483 . 1.58 0.27 7.1940e-01 15372 1 1 1 1 21 ARG HD2 3.223 . 3.13 0.23 6.8596e-01 15372 1 1 1 1 21 ARG HD3 3.042 . 3.13 0.22 6.8916e-01 15372 1 1 1 1 21 ARG HE 6.956 . 7.32 0.52 4.8393e-01 15372 1 1 1 1 21 ARG N 119.064 . 120.61 3.9 6.9180e-01 15372 1 1 1 1 21 ARG NE 130.716 M 89.8 12.83 1.4272e-03 15372 1 1 1 1 52 ARG C 176.052 . 176.49 2.16 8.3931e-01 15372 1 1 1 1 52 ARG CA 55.875 . 56.95 2.41 6.5556e-01 15372 1 1 1 1 52 ARG CB 31.039 . 30.66 1.77 8.3045e-01 15372 1 1 1 1 52 ARG CG 27.371 . 27.31 1.65 9.7051e-01 15372 1 1 1 1 52 ARG CD 43.058 . 43.1 1.1 9.6954e-01 15372 1 1 1 1 52 ARG H 7.556 . 8.24 0.6 2.5429e-01 15372 1 1 1 1 52 ARG HA 4.188 . 4.27 0.44 8.5216e-01 15372 1 1 1 1 52 ARG HB2 1.859 . 1.79 0.28 8.0535e-01 15372 1 1 1 1 52 ARG HB3 1.758 . 1.78 0.28 9.3737e-01 15372 1 1 1 1 52 ARG HG2 1.801 . 1.58 0.27 4.1306e-01 15372 1 1 1 1 52 ARG HG3 1.661 . 1.58 0.27 7.6418e-01 15372 1 1 1 1 52 ARG HD2 3.344 . 3.13 0.23 3.5215e-01 15372 1 1 1 1 52 ARG HD3 3.284 . 3.13 0.22 4.8393e-01 15372 1 1 1 1 52 ARG HE 7.331 . 7.32 0.52 9.8312e-01 15372 1 1 1 1 52 ARG N 121.820 . 120.61 3.9 7.5637e-01 15372 1 1 1 1 52 ARG NE 132.294 M 89.8 12.83 9.2605e-04 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 15372 1 1 1 1 4 VAL VAL 0.89 15372 1 1 1 1 4 VAL CYS 0.1 15372 1 1 1 1 21 ARG CYS 0.41 15372 1 1 1 1 21 ARG ARG 0.28 15372 1 1 1 1 21 ARG GLY 0.27 15372 1 1 1 1 21 ARG LYS 0.02 15372 1 1 1 1 52 ARG ARG 0.42 15372 1 1 1 1 52 ARG CYS 0.34 15372 1 1 1 1 52 ARG LYS 0.18 15372 1 1 1 1 52 ARG GLY 0.04 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15372 _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 15372 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 15372 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15372 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15372 _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_