data_AVS_bmrb_pdb_report_10129 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 10129 _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 10129 1 1 1 1 58 SER Anomalous Consistent Consistent Anomalous Consistent Consistent . . 10129 1 1 1 1 92 ARG Anomalous Consistent Suspicious Anomalous Consistent Consistent "HD3 > HB2" 0.9950 10129 1 1 1 1 92 ARG . . . . . . "HD3 > HB3" 0.9958 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 10129 1 1 1 1 58 SER C 174.632 . 174.53 1.73 9.5298e-01 10129 1 1 1 1 58 SER CA 55.934 . 58.57 2.12 2.1372e-01 10129 1 1 1 1 58 SER CB 62.170 . 63.8 1.57 2.9917e-01 10129 1 1 1 1 58 SER H 8.148 . 8.29 0.62 8.1884e-01 10129 1 1 1 1 58 SER HA 4.273 . 4.51 0.43 5.8152e-01 10129 1 1 1 1 58 SER HB2 2.019 S 3.88 0.29 1.3877e-10 10129 1 1 1 1 58 SER HB3 1.461 M 3.87 0.31 7.7889e-15 10129 1 1 1 1 58 SER N 119.137 . 116.3 3.95 4.7262e-01 10129 1 1 1 1 92 ARG C 172.835 . 176.49 2.16 9.0621e-02 10129 1 1 1 1 92 ARG CA 56.098 . 56.95 2.41 7.2369e-01 10129 1 1 1 1 92 ARG CB 31.991 . 30.66 1.77 4.5206e-01 10129 1 1 1 1 92 ARG CG 24.653 . 27.31 1.65 1.0733e-01 10129 1 1 1 1 92 ARG CD 42.728 . 43.1 1.1 7.3523e-01 10129 1 1 1 1 92 ARG H 8.532 . 8.24 0.6 6.2649e-01 10129 1 1 1 1 92 ARG HA 4.419 . 4.27 0.44 7.3488e-01 10129 1 1 1 1 92 ARG HB2 1.556 . 1.79 0.28 4.0332e-01 10129 1 1 1 1 92 ARG HB3 1.411 . 1.78 0.28 1.8755e-01 10129 1 1 1 1 92 ARG HG2 0.446 S 1.58 0.27 2.6691e-05 10129 1 1 1 1 92 ARG HG3 0.400 S 1.58 0.27 1.2404e-05 10129 1 1 1 1 92 ARG HD2 1.631 S 3.13 0.23 7.1541e-11 10129 1 1 1 1 92 ARG HD3 0.922 M 3.13 0.22 1.0549e-23 10129 1 1 1 1 92 ARG HE 5.172 S 7.32 0.52 3.6155e-05 10129 1 1 1 1 92 ARG N 114.101 . 120.61 3.9 9.5122e-02 10129 1 1 1 1 92 ARG NE 84.147 . 89.8 12.83 6.5950e-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 10129 1 1 1 1 58 SER SER 0.99 10129 1 1 1 1 92 ARG CYS 0.38 10129 1 1 1 1 92 ARG LYS 0.37 10129 1 1 1 1 92 ARG ARG 0.21 10129 1 1 1 1 92 ARG GLY 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 10129 _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 10129 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 10129 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 10129 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 10129 _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_