data_AVS_bmrb_pdb_report_16426 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16426 _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 13 TPO UNSUPPORTED . . . . . . . 16426 1 1 1 1 16 SEP UNSUPPORTED . . . . . . . 16426 1 1 1 1 44 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 16426 1 1 1 1 48 THR Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16426 1 1 1 1 62 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 16426 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 44 PRO C 177.394 . 176.7 1.69 6.8133e-01 16426 1 1 1 1 44 PRO CA 61.84 . 63.3 1.64 3.7334e-01 16426 1 1 1 1 44 PRO CB 30.035 . 31.81 1.54 2.4908e-01 16426 1 1 1 1 44 PRO CG 27.433 . 27.14 1.18 8.0390e-01 16426 1 1 1 1 44 PRO CD 50.248 . 50.28 1.04 9.7545e-01 16426 1 1 1 1 44 PRO HA 1.19 A 4.41 0.36 3.7383e-19 16426 1 1 1 1 44 PRO HB2 0.395 S 2.05 0.39 2.1997e-05 16426 1 1 1 1 44 PRO HB3 -0.304 A 2.05 0.39 1.5808e-09 16426 1 1 1 1 44 PRO HG2 1.059 . 1.93 0.36 1.5544e-02 16426 1 1 1 1 44 PRO HG3 0.762 . 1.92 0.37 1.7497e-03 16426 1 1 1 1 44 PRO HD2 3.435 . 3.64 0.36 5.6905e-01 16426 1 1 1 1 44 PRO HD3 3.435 . 3.63 0.4 6.2590e-01 16426 1 1 1 1 48 THR C 175.302 . 174.6 1.8 6.9654e-01 16426 1 1 1 1 48 THR CA 60.615 . 62.15 2.72 5.7252e-01 16426 1 1 1 1 48 THR CB 71.69 . 69.64 1.7 2.2786e-01 16426 1 1 1 1 48 THR CG2 21.534 . 21.44 1.39 9.4608e-01 16426 1 1 1 1 48 THR H 11.122 A 8.27 0.62 4.2249e-06 16426 1 1 1 1 48 THR HA 4.772 . 4.48 0.5 5.5922e-01 16426 1 1 1 1 48 THR HB 4.76 . 4.17 0.37 1.1080e-01 16426 1 1 1 1 48 THR HG21 1.434 . 1.16 0.28 3.2779e-01 16426 1 1 1 1 48 THR HG22 1.434 . 1.16 0.28 3.2779e-01 16426 1 1 1 1 48 THR HG23 1.434 . 1.16 0.28 3.2779e-01 16426 1 1 1 1 48 THR N 121.743 . 115.7 5.05 2.3145e-01 16426 1 1 1 1 62 GLU C 178.255 . 176.93 2.11 5.3003e-01 16426 1 1 1 1 62 GLU CA 58.492 . 57.42 2.19 6.2449e-01 16426 1 1 1 1 62 GLU CB 28.557 . 30.07 1.84 4.1092e-01 16426 1 1 1 1 62 GLU CG 33.894 . 36.01 1.51 1.6112e-01 16426 1 1 1 1 62 GLU H 8.426 . 8.34 0.61 8.8788e-01 16426 1 1 1 1 62 GLU HA 3.539 . 4.26 0.43 9.3593e-02 16426 1 1 1 1 62 GLU HB2 0.524 S 2.04 0.22 5.5437e-12 16426 1 1 1 1 62 GLU HB3 0.163 S 2.04 0.23 3.3262e-16 16426 1 1 1 1 62 GLU HG2 1.436 S 2.31 0.21 3.1560e-05 16426 1 1 1 1 62 GLU HG3 0.952 A 2.31 0.21 1.0019e-10 16426 1 1 1 1 62 GLU N 122.355 . 120.68 3.68 6.4899e-01 16426 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 44 PRO PRO 0.66 16426 1 1 1 1 44 PRO CYS 0.33 16426 1 1 1 1 48 THR THR 0.84 16426 1 1 1 1 48 THR CYS 0.15 16426 1 1 1 1 62 GLU CYS 0.27 16426 1 1 1 1 62 GLU GLN 0.24 16426 1 1 1 1 62 GLU LYS 0.23 16426 1 1 1 1 62 GLU GLU 0.11 16426 1 1 1 1 62 GLU ARG 0.06 16426 1 1 1 1 62 GLU MET 0.02 16426 1 1 1 1 62 GLU ILE 0.02 16426 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16426 _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 16426 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16426 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16426 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16426 _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_