data_AVS_bmrb_pdb_report_17830 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 17830 _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 35 TRP Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17830 1 1 1 1 77 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 17830 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 35 TRP C 175.725 . 176.1 1.89 8.4272e-01 17830 1 1 1 1 35 TRP CA 57.424 . 57.71 2.65 9.1406e-01 17830 1 1 1 1 35 TRP CB 33.984 . 30.16 2.19 8.0790e-02 17830 1 1 1 1 35 TRP H 9.345 . 8.35 0.84 2.3621e-01 17830 1 1 1 1 35 TRP HA 5.409 . 4.74 0.55 2.2385e-01 17830 1 1 1 1 35 TRP HB2 2.434 . 3.22 0.36 2.9011e-02 17830 1 1 1 1 35 TRP HB3 2.929 . 3.18 0.36 4.8566e-01 17830 1 1 1 1 35 TRP HE1 5.621 A 10.13 0.53 1.7765e-17 17830 1 1 1 1 35 TRP N 122.200 . 121.87 4.58 9.4256e-01 17830 1 1 1 1 35 TRP NE1 121.607 . 129.48 2.56 2.1023e-03 17830 1 1 1 1 77 GLU C 176.913 . 176.93 2.11 9.9357e-01 17830 1 1 1 1 77 GLU CA 55.074 . 57.42 2.19 2.8406e-01 17830 1 1 1 1 77 GLU CB 30.861 . 30.07 1.84 6.6727e-01 17830 1 1 1 1 77 GLU CG 35.983 . 36.01 1.51 9.8573e-01 17830 1 1 1 1 77 GLU H 8.176 . 8.34 0.61 7.8804e-01 17830 1 1 1 1 77 GLU HA 3.835 . 4.26 0.43 3.2297e-01 17830 1 1 1 1 77 GLU HB2 1.047 S 2.04 0.22 6.3725e-06 17830 1 1 1 1 77 GLU HB3 0.674 S 2.04 0.23 2.8654e-09 17830 1 1 1 1 77 GLU HG2 0.750 A 2.31 0.21 1.0978e-13 17830 1 1 1 1 77 GLU HG3 0.833 A 2.31 0.21 2.0166e-12 17830 1 1 1 1 77 GLU N 123.683 . 120.68 3.68 4.1448e-01 17830 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 35 TRP CYS 0.21 17830 1 1 1 1 35 TRP GLN 0.19 17830 1 1 1 1 35 TRP LYS 0.16 17830 1 1 1 1 35 TRP MET 0.16 17830 1 1 1 1 35 TRP GLU 0.08 17830 1 1 1 1 35 TRP TRP 0.04 17830 1 1 1 1 35 TRP VAL 0.04 17830 1 1 1 1 35 TRP ARG 0.03 17830 1 1 1 1 35 TRP HIS 0.03 17830 1 1 1 1 35 TRP TYR 0.01 17830 1 1 1 1 77 GLU CYS 0.34 17830 1 1 1 1 77 GLU GLU 0.32 17830 1 1 1 1 77 GLU MET 0.19 17830 1 1 1 1 77 GLU GLN 0.06 17830 1 1 1 1 77 GLU LYS 0.05 17830 1 1 1 1 77 GLU ILE 0.01 17830 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 17830 _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 17830 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 17830 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 17830 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 17830 _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_