data_AVS_bmrb_pdb_report_7104 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7104 _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 7104 1 1 1 1 40 ARG Anomalous Indeterminable Suspicious Anomalous Indeterminable Consistent "HD2 > HB2" 0.9950 7104 1 1 1 1 40 ARG . . . . . . "HD2 > HG2" 0.9976 7104 1 1 1 1 71 GLU Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 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 7104 1 1 1 1 40 ARG H 8.67 . 8.24 0.6 4.7358e-01 7104 1 1 1 1 40 ARG HA 4.46 . 4.27 0.44 6.6587e-01 7104 1 1 1 1 40 ARG HB2 2.16 . 1.79 0.28 1.8636e-01 7104 1 1 1 1 40 ARG HG2 1.04 . 1.58 0.27 4.5500e-02 7104 1 1 1 1 40 ARG HG3 0.36 S 1.58 0.27 6.2274e-06 7104 1 1 1 1 40 ARG HD2 0.59 M 3.13 0.23 2.3573e-28 7104 1 1 1 1 40 ARG N 108.70 . 120.61 3.9 2.2593e-03 7104 1 1 1 1 71 GLU H 8.80 . 8.34 0.61 4.5079e-01 7104 1 1 1 1 71 GLU HA 5.37 . 4.26 0.43 9.8402e-03 7104 1 1 1 1 71 GLU HB2 1.91 . 2.04 0.22 5.5458e-01 7104 1 1 1 1 71 GLU HB3 1.88 . 2.04 0.23 4.8665e-01 7104 1 1 1 1 71 GLU HG2 2.14 . 2.31 0.21 4.1821e-01 7104 1 1 1 1 71 GLU HG3 2.26 . 2.31 0.21 8.1181e-01 7104 1 1 1 1 71 GLU N 109.10 M 120.68 3.68 1.6510e-03 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7104 _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 7104 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 7104 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7104 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7104 _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_