data_AVS_bmrb_pdb_report_16485 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 16485 _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 29 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16485 1 1 1 1 65 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 16485 1 1 1 2 1 DG UNSUPPORTED . . . . . . . 16485 1 1 1 2 2 DC UNSUPPORTED . . . . . . . 16485 1 1 1 2 3 DT UNSUPPORTED . . . . . . . 16485 1 1 1 2 4 DT UNSUPPORTED . . . . . . . 16485 1 1 1 2 5 DG UNSUPPORTED . . . . . . . 16485 1 1 1 2 6 DT UNSUPPORTED . . . . . . . 16485 1 1 1 2 7 DG UNSUPPORTED . . . . . . . 16485 1 1 1 2 8 DT UNSUPPORTED . . . . . . . 16485 1 1 1 2 9 DG UNSUPPORTED . . . . . . . 16485 1 1 1 2 10 DG UNSUPPORTED . . . . . . . 16485 1 1 1 2 11 DG UNSUPPORTED . . . . . . . 16485 1 1 1 2 12 DC UNSUPPORTED . . . . . . . 16485 1 1 1 2 13 DA UNSUPPORTED . . . . . . . 16485 1 1 1 2 14 DG UNSUPPORTED . . . . . . . 16485 1 1 1 2 15 DC UNSUPPORTED . . . . . . . 16485 1 1 1 2 16 DG UNSUPPORTED . . . . . . . 16485 1 1 1 2 17 DC UNSUPPORTED . . . . . . . 16485 1 1 1 2 18 DG UNSUPPORTED . . . . . . . 16485 1 1 1 2 19 DC UNSUPPORTED . . . . . . . 16485 1 1 1 2 20 DT UNSUPPORTED . . . . . . . 16485 1 1 1 2 21 DG UNSUPPORTED . . . . . . . 16485 1 1 1 2 22 DC UNSUPPORTED . . . . . . . 16485 1 1 1 2 23 DC UNSUPPORTED . . . . . . . 16485 1 1 1 2 24 DC UNSUPPORTED . . . . . . . 16485 1 1 1 2 25 DA UNSUPPORTED . . . . . . . 16485 1 1 1 2 26 DC UNSUPPORTED . . . . . . . 16485 1 1 1 2 27 DA UNSUPPORTED . . . . . . . 16485 1 1 1 2 28 DC UNSUPPORTED . . . . . . . 16485 1 1 1 2 29 DA UNSUPPORTED . . . . . . . 16485 1 1 1 2 30 DA UNSUPPORTED . . . . . . . 16485 1 1 1 2 31 DG UNSUPPORTED . . . . . . . 16485 1 1 1 2 32 DC UNSUPPORTED . . . . . . . 16485 1 1 1 3 1 ZN UNSUPPORTED . . . . . . . 16485 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 29 ARG CA 53.960 . 56.77 2.31 2.2381e-01 16485 1 1 1 1 29 ARG CB 31.131 . 30.7 1.83 8.1381e-01 16485 1 1 1 1 29 ARG CG 26.677 . 27.21 1.2 6.5692e-01 16485 1 1 1 1 29 ARG CD 44.273 . 43.16 0.88 2.0595e-01 16485 1 1 1 1 29 ARG H 7.740 . 8.24 0.61 4.1240e-01 16485 1 1 1 1 29 ARG HA 4.910 . 4.3 0.46 1.8481e-01 16485 1 1 1 1 29 ARG HB2 1.933 . 1.79 0.27 5.9637e-01 16485 1 1 1 1 29 ARG HB3 1.833 . 1.76 0.28 7.9431e-01 16485 1 1 1 1 29 ARG HG2 1.663 . 1.57 0.27 7.3051e-01 16485 1 1 1 1 29 ARG HG3 1.478 . 1.54 0.29 8.3071e-01 16485 1 1 1 1 29 ARG HD2 3.260 . 3.12 0.24 5.5967e-01 16485 1 1 1 1 29 ARG HD3 3.133 . 3.1 0.26 8.9900e-01 16485 1 1 1 1 29 ARG HE 6.998 . 7.4 0.63 5.2341e-01 16485 1 1 1 1 29 ARG HH11 6.689 . 6.91 0.46 6.3092e-01 16485 1 1 1 1 29 ARG HH12 6.689 . 6.8 0.33 7.3660e-01 16485 1 1 1 1 29 ARG N 123.351 . 120.8 3.68 4.8818e-01 16485 1 1 1 1 29 ARG NH1 109.273 A 73.82 4.62 1.6696e-14 16485 1 1 1 1 65 ARG C 176.745 . 176.41 2.03 8.6892e-01 16485 1 1 1 1 65 ARG CA 57.311 . 56.77 2.31 8.1483e-01 16485 1 1 1 1 65 ARG CB 30.962 . 30.7 1.83 8.8616e-01 16485 1 1 1 1 65 ARG CG 27.655 . 27.21 1.2 7.1076e-01 16485 1 1 1 1 65 ARG CD 43.516 . 43.16 0.88 6.8581e-01 16485 1 1 1 1 65 ARG H 8.576 . 8.24 0.61 5.8176e-01 16485 1 1 1 1 65 ARG HA 4.321 . 4.3 0.46 9.6359e-01 16485 1 1 1 1 65 ARG HB2 1.932 . 1.79 0.27 5.9894e-01 16485 1 1 1 1 65 ARG HB3 1.837 . 1.76 0.28 7.8332e-01 16485 1 1 1 1 65 ARG HG2 1.733 . 1.57 0.27 5.4604e-01 16485 1 1 1 1 65 ARG HG3 1.676 . 1.54 0.29 6.3909e-01 16485 1 1 1 1 65 ARG HD2 3.238 . 3.12 0.24 6.2295e-01 16485 1 1 1 1 65 ARG HD3 3.238 . 3.1 0.26 5.9558e-01 16485 1 1 1 1 65 ARG HE 7.211 . 7.4 0.63 7.6418e-01 16485 1 1 1 1 65 ARG HH11 6.998 . 6.91 0.46 8.4829e-01 16485 1 1 1 1 65 ARG HH12 6.998 . 6.8 0.33 5.4851e-01 16485 1 1 1 1 65 ARG N 122.995 . 120.8 3.68 5.5086e-01 16485 1 1 1 1 65 ARG NH1 100.904 A 73.82 4.62 4.5640e-09 16485 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 29 ARG ARG 0.37 16485 1 1 1 1 29 ARG GLY 0.31 16485 1 1 1 1 29 ARG CYS 0.3 16485 1 1 1 1 65 ARG ARG 0.43 16485 1 1 1 1 65 ARG CYS 0.41 16485 1 1 1 1 65 ARG GLY 0.07 16485 1 1 1 1 65 ARG LYS 0.07 16485 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 16485 _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 16485 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 16485 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 16485 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 16485 _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_