data_AVS_bmrb_pdb_report_19707 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 19707 _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 14 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19707 1 1 1 1 21 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19707 1 1 1 1 29 ARG Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 19707 1 1 1 1 42 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 19707 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 14 ARG C 179.514 . 176.41 2.03 1.2625e-01 19707 1 1 1 1 14 ARG CA 60.033 . 56.77 2.31 1.5779e-01 19707 1 1 1 1 14 ARG CB 29.987 . 30.7 1.83 6.9682e-01 19707 1 1 1 1 14 ARG CG 27.946 . 27.21 1.2 5.3966e-01 19707 1 1 1 1 14 ARG CD 43.49 . 43.16 0.88 7.0766e-01 19707 1 1 1 1 14 ARG H 7.977 . 8.24 0.61 6.6636e-01 19707 1 1 1 1 14 ARG HA 4.038 . 4.3 0.46 5.6897e-01 19707 1 1 1 1 14 ARG HB2 1.965 . 1.79 0.27 5.1689e-01 19707 1 1 1 1 14 ARG HB3 1.965 . 1.76 0.28 4.6408e-01 19707 1 1 1 1 14 ARG HG2 1.513 . 1.57 0.27 8.3280e-01 19707 1 1 1 1 14 ARG HG3 1.79 . 1.54 0.29 3.8865e-01 19707 1 1 1 1 14 ARG HD2 3.206 . 3.12 0.24 7.2009e-01 19707 1 1 1 1 14 ARG HD3 3.206 . 3.1 0.26 6.8350e-01 19707 1 1 1 1 14 ARG HE 7.321 . 7.4 0.63 9.0021e-01 19707 1 1 1 1 14 ARG N 118.293 . 120.8 3.68 4.9571e-01 19707 1 1 1 1 14 ARG NE 115.901 A 84.63 1.68 2.4887e-77 19707 1 1 1 1 21 ARG C 179.578 . 176.41 2.03 1.1862e-01 19707 1 1 1 1 21 ARG CA 59.41 . 56.77 2.31 2.5310e-01 19707 1 1 1 1 21 ARG CB 30.04 . 30.7 1.83 7.1836e-01 19707 1 1 1 1 21 ARG CG 27.692 . 27.21 1.2 6.8793e-01 19707 1 1 1 1 21 ARG CD 43.118 . 43.16 0.88 9.6193e-01 19707 1 1 1 1 21 ARG H 8.514 . 8.24 0.61 6.5330e-01 19707 1 1 1 1 21 ARG HA 4.065 . 4.3 0.46 6.0944e-01 19707 1 1 1 1 21 ARG HB2 1.924 . 1.79 0.27 6.1969e-01 19707 1 1 1 1 21 ARG HB3 1.924 . 1.76 0.28 5.5807e-01 19707 1 1 1 1 21 ARG HG2 1.715 . 1.57 0.27 5.9124e-01 19707 1 1 1 1 21 ARG HG3 1.715 . 1.54 0.29 5.4621e-01 19707 1 1 1 1 21 ARG HD2 3.147 . 3.12 0.24 9.1043e-01 19707 1 1 1 1 21 ARG HD3 3.278 . 3.1 0.26 4.9359e-01 19707 1 1 1 1 21 ARG HE 7.643 . 7.4 0.63 6.9971e-01 19707 1 1 1 1 21 ARG N 122.035 . 120.8 3.68 7.3717e-01 19707 1 1 1 1 21 ARG NE 116.164 A 84.63 1.68 1.3229e-78 19707 1 1 1 1 29 ARG C 178.652 . 176.41 2.03 2.6941e-01 19707 1 1 1 1 29 ARG CA 57.024 . 56.77 2.31 9.1244e-01 19707 1 1 1 1 29 ARG CB 30.49 . 30.7 1.83 9.0864e-01 19707 1 1 1 1 29 ARG CG 25.716 . 27.21 1.2 2.1313e-01 19707 1 1 1 1 29 ARG CD 42.6 . 43.16 0.88 5.2454e-01 19707 1 1 1 1 29 ARG H 7.839 . 8.24 0.61 5.1094e-01 19707 1 1 1 1 29 ARG HA 4.097 . 4.3 0.46 6.5899e-01 19707 1 1 1 1 29 ARG HB2 1.631 . 1.79 0.27 5.5594e-01 19707 1 1 1 1 29 ARG HB3 1.851 . 1.76 0.28 7.4518e-01 19707 1 1 1 1 29 ARG HG2 0.706 . 1.57 0.27 1.3743e-03 19707 1 1 1 1 29 ARG HG3 1.399 . 1.54 0.29 6.2682e-01 19707 1 1 1 1 29 ARG HD2 2.234 S 3.12 0.24 2.2279e-04 19707 1 1 1 1 29 ARG HD3 2.908 . 3.1 0.26 4.6023e-01 19707 1 1 1 1 29 ARG HE 6.598 . 7.4 0.63 2.0301e-01 19707 1 1 1 1 29 ARG N 124.045 . 120.8 3.68 3.7789e-01 19707 1 1 1 1 29 ARG NE 115.86 A 84.63 1.68 3.9237e-77 19707 1 1 1 1 42 ARG C 178.185 . 176.41 2.03 3.8191e-01 19707 1 1 1 1 42 ARG CA 59.721 . 56.77 2.31 2.0143e-01 19707 1 1 1 1 42 ARG CB 30.014 . 30.7 1.83 7.0776e-01 19707 1 1 1 1 42 ARG CG 28.128 . 27.21 1.2 4.4427e-01 19707 1 1 1 1 42 ARG CD 43.477 . 43.16 0.88 7.1868e-01 19707 1 1 1 1 42 ARG H 8.61 . 8.24 0.61 5.4414e-01 19707 1 1 1 1 42 ARG HA 3.81 . 4.3 0.46 2.8678e-01 19707 1 1 1 1 42 ARG HB2 1.898 . 1.79 0.27 6.8916e-01 19707 1 1 1 1 42 ARG HB3 1.979 . 1.76 0.28 4.3413e-01 19707 1 1 1 1 42 ARG HG2 1.677 . 1.57 0.27 6.9189e-01 19707 1 1 1 1 42 ARG HG3 1.745 . 1.54 0.29 4.7963e-01 19707 1 1 1 1 42 ARG HD2 3.24 . 3.12 0.24 6.1707e-01 19707 1 1 1 1 42 ARG HD3 3.283 . 3.1 0.26 4.8153e-01 19707 1 1 1 1 42 ARG HE 7.422 . 7.4 0.63 9.7214e-01 19707 1 1 1 1 42 ARG N 118.46 . 120.8 3.68 5.2486e-01 19707 1 1 1 1 42 ARG NE 116.264 A 84.63 1.68 4.3069e-79 19707 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 14 ARG ARG 0.73 19707 1 1 1 1 14 ARG GLY 0.19 19707 1 1 1 1 14 ARG LYS 0.06 19707 1 1 1 1 21 ARG ARG 0.78 19707 1 1 1 1 21 ARG LYS 0.11 19707 1 1 1 1 21 ARG GLY 0.09 19707 1 1 1 1 29 ARG ARG 0.54 19707 1 1 1 1 29 ARG LYS 0.41 19707 1 1 1 1 29 ARG GLY 0.02 19707 1 1 1 1 29 ARG LEU 0.01 19707 1 1 1 1 42 ARG ARG 0.72 19707 1 1 1 1 42 ARG GLY 0.18 19707 1 1 1 1 42 ARG LYS 0.08 19707 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 19707 _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 19707 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 19707 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 19707 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 19707 _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_