data_AVS_bmrb_pdb_report_15010 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 15010 _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 15010 1 1 1 1 66 ALA Anomalous Consistent Consistent Anomalous Consistent Consistent . . 15010 1 1 1 1 74 GLU Anomalous Consistent Consistent Anomalous Consistent Consistent . . 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 15010 1 1 1 1 66 ALA C 179.829 . 177.8 2.18 3.5199e-01 15010 1 1 1 1 66 ALA CA 53.004 . 53.16 2.06 9.3964e-01 15010 1 1 1 1 66 ALA CB 15.042 . 18.9 1.85 3.7033e-02 15010 1 1 1 1 66 ALA H 8.234 . 8.2 0.6 9.5481e-01 15010 1 1 1 1 66 ALA HA 3.863 . 4.26 0.42 3.4454e-01 15010 1 1 1 1 66 ALA HB 3.029 M 1.38 0.25 4.2240e-11 15010 1 1 1 1 66 ALA N 122.791 . 123.23 3.7 9.0555e-01 15010 1 1 1 1 74 GLU C 177.084 . 176.93 2.11 9.4182e-01 15010 1 1 1 1 74 GLU CA 55.442 . 57.42 2.19 3.6642e-01 15010 1 1 1 1 74 GLU CB 27.21 . 30.07 1.84 1.2010e-01 15010 1 1 1 1 74 GLU CG 32.652 . 36.01 1.51 2.6159e-02 15010 1 1 1 1 74 GLU H 8.634 . 8.34 0.61 6.2983e-01 15010 1 1 1 1 74 GLU HA 4.373 . 4.26 0.43 7.9271e-01 15010 1 1 1 1 74 GLU HB2 3.349 M 2.04 0.22 2.6814e-09 15010 1 1 1 1 74 GLU HB3 2.162 . 2.04 0.23 5.9581e-01 15010 1 1 1 1 74 GLU HG2 2.3 . 2.31 0.21 9.6202e-01 15010 1 1 1 1 74 GLU HG3 2.151 . 2.31 0.21 4.4896e-01 15010 1 1 1 1 74 GLU N 124.913 . 120.68 3.68 2.5003e-01 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 15010 1 1 1 1 66 ALA MET 0.73 15010 1 1 1 1 66 ALA ALA 0.25 15010 1 1 1 1 66 ALA ILE 0.01 15010 1 1 1 1 74 GLU ARG 0.32 15010 1 1 1 1 74 GLU LYS 0.32 15010 1 1 1 1 74 GLU GLN 0.27 15010 1 1 1 1 74 GLU MET 0.04 15010 1 1 1 1 74 GLU GLU 0.02 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 15010 _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 15010 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 15010 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 15010 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 15010 _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_