data_AVS_bmrb_pdb_report_15438 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15438 _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 15438 1 1 1 1 14 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15438 1 1 1 1 18 PRO Anomalous Indeterminable Consistent Suspicious Indeterminable Anomalous . . 15438 1 1 1 1 35 GLY Anomalous Indeterminable Consistent Suspicious Indeterminable Anomalous . . 15438 1 1 1 1 51 PRO Anomalous Indeterminable Consistent Unknown Indeterminable Anomalous . . 15438 1 1 1 1 62 HIS Anomalous Indeterminable Suspicious Anomalous Indeterminable Anomalous "H > HA" 1.0000 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 15438 1 1 1 1 14 ARG CA 55.5 . 56.95 2.41 5.4740e-01 15438 1 1 1 1 14 ARG CB 28.15 . 30.66 1.77 1.5617e-01 15438 1 1 1 1 14 ARG CG 27.34 . 27.31 1.65 9.8549e-01 15438 1 1 1 1 14 ARG H 8.15 . 8.24 0.6 8.8076e-01 15438 1 1 1 1 14 ARG HA 4.25 . 4.27 0.44 9.6375e-01 15438 1 1 1 1 14 ARG HB2 3.74 M 1.79 0.28 3.3007e-12 15438 1 1 1 1 14 ARG HB3 3.74 M 1.78 0.28 2.5596e-12 15438 1 1 1 1 14 ARG N 118.03 . 120.61 3.9 5.0827e-01 15438 1 1 1 1 18 PRO H 63.11 U . 0 . 15438 1 1 1 1 18 PRO HA 3.13 S 4.41 0.36 3.7718e-04 15438 1 1 1 1 18 PRO N 32.45 M 127.4 10.05 3.4616e-21 15438 1 1 1 1 35 GLY H 3.38 S 8.34 0.74 2.0460e-11 15438 1 1 1 1 35 GLY N 43.98 M 109.91 4.29 2.6709e-53 15438 1 1 1 1 51 PRO H 60.97 U . 0 . 15438 1 1 1 1 51 PRO N 31.28 M 127.4 10.05 1.1310e-21 15438 1 1 1 1 62 HIS H 5.37 S 8.25 0.74 9.9466e-05 15438 1 1 1 1 62 HIS HA 30.68 M 4.62 0.51 0.0000e+00 15438 1 1 1 1 62 HIS N 54.53 M 119.44 4.52 9.1406e-47 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 15438 1 1 1 1 14 ARG ARG 0.46 15438 1 1 1 1 14 ARG LEU 0.29 15438 1 1 1 1 14 ARG LYS 0.24 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15438 _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 15438 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 15438 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15438 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15438 _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_