data_AVS_bmrb_pdb_report_4267 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4267 _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 1 110 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 4267 1 1 1 1 141 ARG Anomalous Consistent Consistent Anomalous Consistent Consistent . . 4267 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 1 110 ARG C 174.33 . 176.41 2.03 3.0554e-01 4267 1 1 1 1 110 ARG CA 54.97 . 56.77 2.31 4.3585e-01 4267 1 1 1 1 110 ARG CB 35.15 . 30.7 1.83 1.5028e-02 4267 1 1 1 1 110 ARG CD 42.0 . 43.16 0.88 1.8744e-01 4267 1 1 1 1 110 ARG H 9.50 . 8.24 0.61 3.8869e-02 4267 1 1 1 1 110 ARG HA 4.92 . 4.3 0.46 1.7771e-01 4267 1 1 1 1 110 ARG HB2 1.68 . 1.79 0.27 6.8371e-01 4267 1 1 1 1 110 ARG HB3 1.58 . 1.76 0.28 5.2032e-01 4267 1 1 1 1 110 ARG HG2 1.57 . 1.57 0.27 1.0000e+00 4267 1 1 1 1 110 ARG HG3 1.57 . 1.54 0.29 9.1761e-01 4267 1 1 1 1 110 ARG HD2 2.89 . 3.12 0.24 3.3789e-01 4267 1 1 1 1 110 ARG HD3 2.89 . 3.1 0.26 4.1927e-01 4267 1 1 1 1 110 ARG HE 7.51 . 7.4 0.63 8.6139e-01 4267 1 1 1 1 110 ARG N 126.05 . 120.8 3.68 1.5369e-01 4267 1 1 1 1 110 ARG NE 127.06 A 84.63 1.68 0.0000e+00 4267 1 1 1 1 141 ARG C 177.08 . 176.41 2.03 7.4136e-01 4267 1 1 1 1 141 ARG CA 55.70 . 56.77 2.31 6.4322e-01 4267 1 1 1 1 141 ARG CB 30.32 . 30.7 1.83 8.3550e-01 4267 1 1 1 1 141 ARG CG 29.0 . 27.21 1.2 1.3579e-01 4267 1 1 1 1 141 ARG CD 42.0 . 43.16 0.88 1.8744e-01 4267 1 1 1 1 141 ARG H 8.92 . 8.24 0.61 2.6496e-01 4267 1 1 1 1 141 ARG HA 4.27 . 4.3 0.46 9.4800e-01 4267 1 1 1 1 141 ARG HB2 2.00 . 1.79 0.27 4.3670e-01 4267 1 1 1 1 141 ARG HB3 2.00 . 1.76 0.28 3.9137e-01 4267 1 1 1 1 141 ARG HG2 1.55 . 1.57 0.27 9.4095e-01 4267 1 1 1 1 141 ARG HG3 1.55 . 1.54 0.29 9.7249e-01 4267 1 1 1 1 141 ARG HD2 2.91 . 3.12 0.24 3.8157e-01 4267 1 1 1 1 141 ARG HD3 2.91 . 3.1 0.26 4.6492e-01 4267 1 1 1 1 141 ARG HE 5.31 S 7.4 0.63 9.0840e-04 4267 1 1 1 1 141 ARG HH11 5.82 A 6.91 0.46 1.7809e-02 4267 1 1 1 1 141 ARG HH12 5.82 A 6.8 0.33 2.9809e-03 4267 1 1 1 1 141 ARG HH21 4.59 A 6.81 0.48 3.7460e-06 4267 1 1 1 1 141 ARG HH22 4.59 A 6.76 0.36 1.6623e-09 4267 1 1 1 1 141 ARG N 120.91 . 120.8 3.68 9.7615e-01 4267 1 1 1 1 141 ARG NE 85.0 . 84.63 1.68 8.2569e-01 4267 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 1 110 ARG CYS 0.51 4267 1 1 1 1 110 ARG LYS 0.43 4267 1 1 1 1 110 ARG ARG 0.03 4267 1 1 1 1 110 ARG GLY 0.01 4267 1 1 1 1 141 ARG CYS 0.39 4267 1 1 1 1 141 ARG LYS 0.38 4267 1 1 1 1 141 ARG ARG 0.21 4267 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4267 _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 4267 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4267 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4267 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4267 _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_