data_AVS_bmrb_pdb_report_18484 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 18484 _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 40 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18484 1 1 1 1 72 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 18484 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 40 ARG CA 55.674 . 56.77 2.31 6.3517e-01 18484 1 1 1 1 40 ARG CB 34.932 . 30.7 1.83 2.0746e-02 18484 1 1 1 1 40 ARG CG 28.503 . 27.21 1.2 2.8126e-01 18484 1 1 1 1 40 ARG CD 43.575 . 43.16 0.88 6.3722e-01 18484 1 1 1 1 40 ARG H 8.558 . 8.24 0.61 6.0215e-01 18484 1 1 1 1 40 ARG HA 4.707 . 4.3 0.46 3.7627e-01 18484 1 1 1 1 40 ARG HB2 1.778 . 1.79 0.27 9.6455e-01 18484 1 1 1 1 40 ARG HB3 1.594 . 1.76 0.28 5.5328e-01 18484 1 1 1 1 40 ARG HG2 1.613 . 1.57 0.27 8.7346e-01 18484 1 1 1 1 40 ARG HG3 1.519 . 1.54 0.29 9.4227e-01 18484 1 1 1 1 40 ARG HD2 3.213 . 3.12 0.24 6.9839e-01 18484 1 1 1 1 40 ARG HD3 3.017 . 3.1 0.26 7.4955e-01 18484 1 1 1 1 40 ARG HE 7.150 . 7.4 0.63 6.9150e-01 18484 1 1 1 1 40 ARG N 121.666 . 120.8 3.68 8.1396e-01 18484 1 1 1 1 40 ARG NE 133.758 A 84.63 1.68 0.0000e+00 18484 1 1 1 1 72 ARG CA 54.001 . 56.77 2.31 2.3064e-01 18484 1 1 1 1 72 ARG CB 33.500 . 30.7 1.83 1.2600e-01 18484 1 1 1 1 72 ARG CG 27.930 . 27.21 1.2 5.4851e-01 18484 1 1 1 1 72 ARG CD 43.178 . 43.16 0.88 9.8368e-01 18484 1 1 1 1 72 ARG H 9.191 . 8.24 0.61 1.1899e-01 18484 1 1 1 1 72 ARG HA 5.059 . 4.3 0.46 9.8943e-02 18484 1 1 1 1 72 ARG HB2 1.565 . 1.79 0.27 4.0466e-01 18484 1 1 1 1 72 ARG HB3 1.505 . 1.76 0.28 3.6245e-01 18484 1 1 1 1 72 ARG HG2 1.216 . 1.57 0.27 1.8982e-01 18484 1 1 1 1 72 ARG HG3 0.903 . 1.54 0.29 2.8052e-02 18484 1 1 1 1 72 ARG HD2 3.119 . 3.12 0.24 9.9668e-01 18484 1 1 1 1 72 ARG HD3 3.052 . 3.1 0.26 8.5353e-01 18484 1 1 1 1 72 ARG HE 7.559 . 7.4 0.63 8.0075e-01 18484 1 1 1 1 72 ARG N 126.426 . 120.8 3.68 1.2631e-01 18484 1 1 1 1 72 ARG NE 125.751 A 84.63 1.68 0.0000e+00 18484 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 40 ARG LYS 0.36 18484 1 1 1 1 40 ARG GLY 0.36 18484 1 1 1 1 40 ARG ARG 0.27 18484 1 1 1 1 72 ARG ARG 0.51 18484 1 1 1 1 72 ARG LYS 0.34 18484 1 1 1 1 72 ARG GLY 0.14 18484 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 18484 _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 18484 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 18484 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 18484 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 18484 _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_