data_AVS_bmrb_pdb_report_6696 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6696 _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 20 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6696 1 1 1 1 67 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6696 1 1 1 1 80 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 6696 1 1 1 2 1 ACE UNSUPPORTED . . . . . . . 6696 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 20 ARG CA 58.02 . 56.77 2.31 5.8842e-01 6696 1 1 1 1 20 ARG CB 29.58 . 30.7 1.83 5.4052e-01 6696 1 1 1 1 20 ARG CG 27.05 . 27.21 1.2 8.9393e-01 6696 1 1 1 1 20 ARG CD 43.00 . 43.16 0.88 8.5573e-01 6696 1 1 1 1 20 ARG H 8.063 . 8.24 0.61 7.7169e-01 6696 1 1 1 1 20 ARG HA 4.153 . 4.3 0.46 7.4930e-01 6696 1 1 1 1 20 ARG HB2 1.904 . 1.79 0.27 6.7286e-01 6696 1 1 1 1 20 ARG HB3 1.965 . 1.76 0.28 4.6408e-01 6696 1 1 1 1 20 ARG HG2 1.684 . 1.57 0.27 6.7286e-01 6696 1 1 1 1 20 ARG HG3 1.609 . 1.54 0.29 8.1193e-01 6696 1 1 1 1 20 ARG HD2 3.118 . 3.12 0.24 9.9335e-01 6696 1 1 1 1 20 ARG HD3 3.404 . 3.1 0.26 2.4231e-01 6696 1 1 1 1 20 ARG HE 7.258 . 7.4 0.63 8.2167e-01 6696 1 1 1 1 20 ARG N 120.4 . 120.8 3.68 9.1344e-01 6696 1 1 1 1 20 ARG NE 112.9 A 84.63 1.68 1.5375e-63 6696 1 1 1 1 67 ARG C 177.8 . 176.41 2.03 4.9352e-01 6696 1 1 1 1 67 ARG CA 57.02 . 56.77 2.31 9.1382e-01 6696 1 1 1 1 67 ARG CB 28.83 . 30.7 1.83 3.0685e-01 6696 1 1 1 1 67 ARG CG 27.93 . 27.21 1.2 5.4851e-01 6696 1 1 1 1 67 ARG CD 42.70 . 43.16 0.88 6.0116e-01 6696 1 1 1 1 67 ARG H 8.381 . 8.24 0.61 8.1720e-01 6696 1 1 1 1 67 ARG HA 4.042 . 4.3 0.46 5.7489e-01 6696 1 1 1 1 67 ARG HB2 0.963 . 1.79 0.27 2.1916e-03 6696 1 1 1 1 67 ARG HB3 1.279 . 1.76 0.28 8.5823e-02 6696 1 1 1 1 67 ARG HG2 1.482 . 1.57 0.27 7.4448e-01 6696 1 1 1 1 67 ARG HG3 1.820 . 1.54 0.29 3.3429e-01 6696 1 1 1 1 67 ARG HD2 2.875 . 3.12 0.24 3.0733e-01 6696 1 1 1 1 67 ARG HD3 3.253 . 3.1 0.26 5.5622e-01 6696 1 1 1 1 67 ARG HE 7.637 . 7.4 0.63 7.0678e-01 6696 1 1 1 1 67 ARG N 117.9 . 120.8 3.68 4.3067e-01 6696 1 1 1 1 67 ARG NE 113.3 A 84.63 1.68 2.6819e-65 6696 1 1 1 1 80 ARG C 179.8 . 176.41 2.03 9.4929e-02 6696 1 1 1 1 80 ARG CA 57.46 . 56.77 2.31 7.6517e-01 6696 1 1 1 1 80 ARG CB 28.99 . 30.7 1.83 3.5008e-01 6696 1 1 1 1 80 ARG CG 24.96 . 27.21 1.2 6.0793e-02 6696 1 1 1 1 80 ARG CD 42.46 . 43.16 0.88 4.2635e-01 6696 1 1 1 1 80 ARG H 7.600 . 8.24 0.61 2.9410e-01 6696 1 1 1 1 80 ARG HA 3.805 . 4.3 0.46 2.8189e-01 6696 1 1 1 1 80 ARG HB2 1.245 . 1.79 0.27 4.3537e-02 6696 1 1 1 1 80 ARG HB3 1.517 . 1.76 0.28 3.8547e-01 6696 1 1 1 1 80 ARG HG2 0.813 . 1.57 0.27 5.0519e-03 6696 1 1 1 1 80 ARG HG3 0.813 . 1.54 0.29 1.2180e-02 6696 1 1 1 1 80 ARG HD2 2.823 . 3.12 0.24 2.1590e-01 6696 1 1 1 1 80 ARG HD3 3.074 . 3.1 0.26 9.2034e-01 6696 1 1 1 1 80 ARG HE 6.687 . 7.4 0.63 2.5774e-01 6696 1 1 1 1 80 ARG N 121.8 . 120.8 3.68 7.8582e-01 6696 1 1 1 1 80 ARG NE 112.6 A 84.63 1.68 3.0868e-62 6696 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 20 ARG ARG 0.44 6696 1 1 1 1 20 ARG CYS 0.41 6696 1 1 1 1 20 ARG LYS 0.09 6696 1 1 1 1 20 ARG GLY 0.03 6696 1 1 1 1 20 ARG LEU 0.01 6696 1 1 1 1 67 ARG ARG 0.42 6696 1 1 1 1 67 ARG CYS 0.41 6696 1 1 1 1 67 ARG LYS 0.07 6696 1 1 1 1 67 ARG LEU 0.04 6696 1 1 1 1 67 ARG GLY 0.02 6696 1 1 1 1 80 ARG LYS 0.4 6696 1 1 1 1 80 ARG CYS 0.34 6696 1 1 1 1 80 ARG LEU 0.12 6696 1 1 1 1 80 ARG ARG 0.11 6696 1 1 1 1 80 ARG GLY 0.01 6696 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6696 _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 6696 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 6696 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 6696 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6696 _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_