data_AVS_bmrb_pdb_report_4141 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4141 _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 61 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4141 1 1 1 2 1 DT UNSUPPORTED . . . . . . . 4141 1 1 1 2 2 DG UNSUPPORTED . . . . . . . 4141 1 1 1 2 3 DT UNSUPPORTED . . . . . . . 4141 1 1 1 2 4 DG UNSUPPORTED . . . . . . . 4141 1 1 1 2 5 DT UNSUPPORTED . . . . . . . 4141 1 1 1 2 6 DC UNSUPPORTED . . . . . . . 4141 1 1 1 2 7 DA UNSUPPORTED . . . . . . . 4141 1 1 1 2 8 DA UNSUPPORTED . . . . . . . 4141 1 1 1 2 9 DG UNSUPPORTED . . . . . . . 4141 1 1 1 2 1 DG1 UNSUPPORTED . . . . . . . 4141 1 1 1 2 2 DG1 UNSUPPORTED . . . . . . . 4141 1 1 1 2 3 DC1 UNSUPPORTED . . . . . . . 4141 1 1 1 2 4 DT1 UNSUPPORTED . . . . . . . 4141 1 1 1 2 5 DG1 UNSUPPORTED . . . . . . . 4141 1 1 1 2 6 DT1 UNSUPPORTED . . . . . . . 4141 1 1 1 3 1 DA UNSUPPORTED . . . . . . . 4141 1 1 1 3 2 DC UNSUPPORTED . . . . . . . 4141 1 1 1 3 3 DA UNSUPPORTED . . . . . . . 4141 1 1 1 3 4 DG UNSUPPORTED . . . . . . . 4141 1 1 1 3 5 DC UNSUPPORTED . . . . . . . 4141 1 1 1 3 6 DC UNSUPPORTED . . . . . . . 4141 1 1 1 3 7 DA UNSUPPORTED . . . . . . . 4141 1 1 1 3 8 DC UNSUPPORTED . . . . . . . 4141 1 1 1 3 9 DT UNSUPPORTED . . . . . . . 4141 1 1 1 3 1 DG1 UNSUPPORTED . . . . . . . 4141 1 1 1 3 2 DA1 UNSUPPORTED . . . . . . . 4141 1 1 1 3 3 DC1 UNSUPPORTED . . . . . . . 4141 1 1 1 3 4 DA1 UNSUPPORTED . . . . . . . 4141 1 1 1 3 5 DC1 UNSUPPORTED . . . . . . . 4141 1 1 1 3 6 DA1 UNSUPPORTED . . . . . . . 4141 1 1 1 3 7 DA1 UNSUPPORTED . . . . . . . 4141 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 61 ARG CA 61.4 . 56.95 2.41 6.4824e-02 4141 1 1 1 1 61 ARG CB 30.5 . 30.66 1.77 9.2797e-01 4141 1 1 1 1 61 ARG CG 28.2 . 27.31 1.65 5.8961e-01 4141 1 1 1 1 61 ARG CD 43.1 . 43.1 1.1 1.0000e+00 4141 1 1 1 1 61 ARG H 8.67 . 8.24 0.6 4.7358e-01 4141 1 1 1 1 61 ARG HA 4.13 . 4.27 0.44 7.5035e-01 4141 1 1 1 1 61 ARG HB2 1.95 . 1.79 0.28 5.6771e-01 4141 1 1 1 1 61 ARG HB3 2.28 . 1.78 0.28 7.4146e-02 4141 1 1 1 1 61 ARG HG2 1.41 . 1.58 0.27 5.2894e-01 4141 1 1 1 1 61 ARG HG3 1.65 . 1.58 0.27 7.9544e-01 4141 1 1 1 1 61 ARG HD2 2.52 . 3.13 0.23 7.9975e-03 4141 1 1 1 1 61 ARG HD3 2.93 . 3.13 0.22 3.6330e-01 4141 1 1 1 1 61 ARG HE 8.26 . 7.32 0.52 7.0655e-02 4141 1 1 1 1 61 ARG HH11 7.68 . 6.74 0.31 2.4273e-03 4141 1 1 1 1 61 ARG HH12 7.68 . 6.75 0.32 3.6579e-03 4141 1 1 1 1 61 ARG HH21 7.68 A 6.72 0.32 2.6998e-03 4141 1 1 1 1 61 ARG HH22 7.68 A 6.72 0.33 3.6248e-03 4141 1 1 1 1 61 ARG N 123.2 . 120.61 3.9 5.0662e-01 4141 1 1 1 1 61 ARG NE 86.6 . 89.8 12.83 8.0304e-01 4141 1 1 1 1 61 ARG NH1 76.4 . 74.78 11.38 8.8680e-01 4141 1 1 1 1 61 ARG NH2 76.4 . 75.84 11.44 9.6096e-01 4141 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 61 ARG ARG 0.4 4141 1 1 1 1 61 ARG CYS 0.39 4141 1 1 1 1 61 ARG GLY 0.1 4141 1 1 1 1 61 ARG LYS 0.09 4141 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4141 _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.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 4141 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4141 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4141 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4141 _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_