data_AVS_bmrb_pdb_report_25447 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25447 _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 53 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 25447 1 1 1 1 69 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25447 1 1 1 1 72 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25447 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 53 ARG CA 56.364 . 56.77 2.31 8.6048e-01 25447 1 1 1 1 53 ARG CB 29.315 . 30.7 1.83 4.4915e-01 25447 1 1 1 1 53 ARG CG 25.612 . 27.21 1.2 1.8297e-01 25447 1 1 1 1 53 ARG CD 41.726 . 43.16 0.88 1.0320e-01 25447 1 1 1 1 53 ARG H 8.881 . 8.24 0.61 2.9334e-01 25447 1 1 1 1 53 ARG HA 3.736 . 4.3 0.46 2.2017e-01 25447 1 1 1 1 53 ARG HB2 0.612 S 1.79 0.27 1.2831e-05 25447 1 1 1 1 53 ARG HB3 0.221 S 1.76 0.28 3.8756e-08 25447 1 1 1 1 53 ARG HG2 0.424 S 1.57 0.27 2.1914e-05 25447 1 1 1 1 53 ARG HG3 -0.258 S 1.54 0.29 5.6463e-10 25447 1 1 1 1 53 ARG HD2 2.846 . 3.12 0.24 2.5359e-01 25447 1 1 1 1 53 ARG HD3 2.688 . 3.1 0.26 1.1305e-01 25447 1 1 1 1 53 ARG N 116.911 . 120.8 3.68 2.9061e-01 25447 1 1 1 1 53 ARG NE 117.535 A 84.63 1.68 2.0234e-85 25447 1 1 1 1 69 ARG CA 58.287 . 56.77 2.31 5.1137e-01 25447 1 1 1 1 69 ARG CB 31.760 . 30.7 1.83 5.6243e-01 25447 1 1 1 1 69 ARG CG 28.144 . 27.21 1.2 4.3637e-01 25447 1 1 1 1 69 ARG CD 43.176 . 43.16 0.88 9.8549e-01 25447 1 1 1 1 69 ARG H 6.628 . 8.24 0.61 8.2267e-03 25447 1 1 1 1 69 ARG HA 4.085 . 4.3 0.46 6.4022e-01 25447 1 1 1 1 69 ARG HB2 1.977 . 1.79 0.27 4.8857e-01 25447 1 1 1 1 69 ARG HB3 1.806 . 1.76 0.28 8.6951e-01 25447 1 1 1 1 69 ARG HG2 1.744 . 1.57 0.27 5.1929e-01 25447 1 1 1 1 69 ARG HG3 1.545 . 1.54 0.29 9.8624e-01 25447 1 1 1 1 69 ARG HD2 3.375 . 3.12 0.24 2.8801e-01 25447 1 1 1 1 69 ARG HD3 3.093 . 3.1 0.26 9.7852e-01 25447 1 1 1 1 69 ARG HE 8.444 . 7.4 0.63 9.7491e-02 25447 1 1 1 1 69 ARG N 112.468 . 120.8 3.68 2.3566e-02 25447 1 1 1 1 69 ARG NE 118.042 A 84.63 1.68 5.1598e-88 25447 1 1 1 1 69 ARG NH2 118.258 A 73.26 3.32 7.5423e-42 25447 1 1 1 1 72 ARG CA 60.533 . 56.77 2.31 1.0331e-01 25447 1 1 1 1 72 ARG CB 30.418 . 30.7 1.83 8.7753e-01 25447 1 1 1 1 72 ARG CG 27.391 . 27.21 1.2 8.8011e-01 25447 1 1 1 1 72 ARG CD 42.660 . 43.16 0.88 5.6991e-01 25447 1 1 1 1 72 ARG H 8.910 . 8.24 0.61 2.7205e-01 25447 1 1 1 1 72 ARG HA 3.955 . 4.3 0.46 4.5325e-01 25447 1 1 1 1 72 ARG HB2 1.785 . 1.79 0.27 9.8523e-01 25447 1 1 1 1 72 ARG HG2 1.469 . 1.57 0.27 7.0835e-01 25447 1 1 1 1 72 ARG HG3 1.189 . 1.54 0.29 2.2615e-01 25447 1 1 1 1 72 ARG HD2 3.407 . 3.12 0.24 2.3176e-01 25447 1 1 1 1 72 ARG HD3 3.018 . 3.1 0.26 7.5247e-01 25447 1 1 1 1 72 ARG HE 9.356 . 7.4 0.63 1.9043e-03 25447 1 1 1 1 72 ARG N 118.764 . 120.8 3.68 5.8008e-01 25447 1 1 1 1 72 ARG NE 116.937 A 84.63 1.68 2.0620e-82 25447 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 53 ARG LYS 0.65 25447 1 1 1 1 53 ARG ARG 0.19 25447 1 1 1 1 53 ARG LEU 0.14 25447 1 1 1 1 69 ARG ARG 0.6 25447 1 1 1 1 69 ARG LYS 0.31 25447 1 1 1 1 69 ARG GLY 0.07 25447 1 1 1 1 72 ARG ARG 0.77 25447 1 1 1 1 72 ARG LYS 0.16 25447 1 1 1 1 72 ARG GLY 0.06 25447 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25447 _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 25447 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25447 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25447 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25447 _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_