data_AVS_bmrb_pdb_report_4177 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4177 _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 24 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 4177 1 1 1 1 29 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 4177 1 1 1 1 38 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 4177 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 24 ARG CA 55.8 . 56.77 2.31 6.7455e-01 4177 1 1 1 1 24 ARG CB 30.5 . 30.7 1.83 9.1297e-01 4177 1 1 1 1 24 ARG CG 27.5 . 27.21 1.2 8.0904e-01 4177 1 1 1 1 24 ARG CD 43.1 . 43.16 0.88 9.4564e-01 4177 1 1 1 1 24 ARG H 7.76 . 8.24 0.61 4.3135e-01 4177 1 1 1 1 24 ARG HA 4.33 . 4.3 0.46 9.4800e-01 4177 1 1 1 1 24 ARG HB2 2.07 . 1.79 0.27 2.9972e-01 4177 1 1 1 1 24 ARG HB3 1.78 . 1.76 0.28 9.4306e-01 4177 1 1 1 1 24 ARG HG2 1.66 . 1.57 0.27 7.3888e-01 4177 1 1 1 1 24 ARG HG3 1.66 . 1.54 0.29 6.7903e-01 4177 1 1 1 1 24 ARG HD2 3.13 . 3.12 0.24 9.6676e-01 4177 1 1 1 1 24 ARG HD3 3.22 . 3.1 0.26 6.4441e-01 4177 1 1 1 1 24 ARG HE 7.40 . 7.4 0.63 1.0000e+00 4177 1 1 1 1 24 ARG N 115.9 . 120.8 3.68 1.8302e-01 4177 1 1 1 1 24 ARG NE 112.1 A 84.63 1.68 4.2656e-60 4177 1 1 1 1 29 ARG CB 33.3 . 30.7 1.83 1.5538e-01 4177 1 1 1 1 29 ARG CG 26.8 . 27.21 1.2 7.3260e-01 4177 1 1 1 1 29 ARG CD 43.6 . 43.16 0.88 6.1707e-01 4177 1 1 1 1 29 ARG H 8.57 . 8.24 0.61 5.8852e-01 4177 1 1 1 1 29 ARG HA 4.58 . 4.3 0.46 5.4273e-01 4177 1 1 1 1 29 ARG HB2 1.84 . 1.79 0.27 8.5308e-01 4177 1 1 1 1 29 ARG HB3 1.70 . 1.76 0.28 8.3032e-01 4177 1 1 1 1 29 ARG HG2 1.35 . 1.57 0.27 4.1518e-01 4177 1 1 1 1 29 ARG HG3 1.35 . 1.54 0.29 5.1236e-01 4177 1 1 1 1 29 ARG HD2 3.05 . 3.12 0.24 7.7054e-01 4177 1 1 1 1 29 ARG HD3 3.17 . 3.1 0.26 7.8775e-01 4177 1 1 1 1 29 ARG HE 7.54 . 7.4 0.63 8.2414e-01 4177 1 1 1 1 29 ARG N 117.2 . 120.8 3.68 3.2795e-01 4177 1 1 1 1 29 ARG NE 112.9 A 84.63 1.68 1.5375e-63 4177 1 1 1 1 38 ARG CA 54.2 . 56.77 2.31 2.6590e-01 4177 1 1 1 1 38 ARG CB 32.8 . 30.7 1.83 2.5116e-01 4177 1 1 1 1 38 ARG CG 26.2 . 27.21 1.2 3.9997e-01 4177 1 1 1 1 38 ARG CD 43.4 . 43.16 0.88 7.8506e-01 4177 1 1 1 1 38 ARG H 7.19 . 8.24 0.61 8.5194e-02 4177 1 1 1 1 38 ARG HA 4.55 . 4.3 0.46 5.8680e-01 4177 1 1 1 1 38 ARG HB2 1.71 . 1.79 0.27 7.6700e-01 4177 1 1 1 1 38 ARG HB3 1.90 . 1.76 0.28 6.1707e-01 4177 1 1 1 1 38 ARG HG2 1.53 . 1.57 0.27 8.8223e-01 4177 1 1 1 1 38 ARG HG3 1.53 . 1.54 0.29 9.7249e-01 4177 1 1 1 1 38 ARG HD2 3.06 . 3.12 0.24 8.0259e-01 4177 1 1 1 1 38 ARG HD3 3.06 . 3.1 0.26 8.7773e-01 4177 1 1 1 1 38 ARG HE 7.15 . 7.4 0.63 6.9150e-01 4177 1 1 1 1 38 ARG N 113.2 . 120.8 3.68 3.8902e-02 4177 1 1 1 1 38 ARG NE 111.7 A 84.63 1.68 2.0643e-58 4177 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 24 ARG ARG 0.49 4177 1 1 1 1 24 ARG CYS 0.35 4177 1 1 1 1 24 ARG LYS 0.1 4177 1 1 1 1 24 ARG GLY 0.04 4177 1 1 1 1 29 ARG ARG 0.66 4177 1 1 1 1 29 ARG GLY 0.25 4177 1 1 1 1 29 ARG LYS 0.08 4177 1 1 1 1 38 ARG ARG 0.38 4177 1 1 1 1 38 ARG CYS 0.36 4177 1 1 1 1 38 ARG LYS 0.13 4177 1 1 1 1 38 ARG GLY 0.11 4177 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4177 _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 4177 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4177 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4177 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4177 _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_