data_AVS_bmrb_pdb_report_4143 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 4143 _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 40 ARG Anomalous Indeterminable Suspicious Suspicious Indeterminable Anomalous "HD2 > HB2" 0.9950 4143 1 1 1 1 40 ARG . . . . . . "HD3 > HB2" 0.9950 4143 1 1 1 1 40 ARG . . . . . . "HD2 > HB3" 0.9951 4143 1 1 1 1 40 ARG . . . . . . "HD3 > HB3" 0.9958 4143 1 1 1 1 40 ARG . . . . . . "HD2 > HG2" 0.9976 4143 1 1 1 1 40 ARG . . . . . . "HD3 > HG2" 0.9974 4143 1 1 1 1 40 ARG . . . . . . "HD2 > HG3" 0.9983 4143 1 1 1 1 40 ARG . . . . . . "HD3 > HG3" 0.9982 4143 1 1 1 1 58 LEU Anomalous Indeterminable Consistent Anomalous Indeterminable Consistent . . 4143 1 1 1 1 61 ARG Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 4143 1 1 1 1 76 ARG Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 4143 1 1 1 1 80 ARG Anomalous Indeterminable Consistent Consistent Indeterminable Anomalous . . 4143 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 40 ARG H 7.41 . 8.24 0.61 1.7362e-01 4143 1 1 1 1 40 ARG HA 4.68 . 4.3 0.46 4.0876e-01 4143 1 1 1 1 40 ARG HB2 1.616 . 1.79 0.27 5.1929e-01 4143 1 1 1 1 40 ARG HB3 1.616 . 1.76 0.28 6.0705e-01 4143 1 1 1 1 40 ARG HG2 1.748 . 1.57 0.27 5.0973e-01 4143 1 1 1 1 40 ARG HG3 1.748 . 1.54 0.29 4.7323e-01 4143 1 1 1 1 40 ARG HD2 1.547 S 3.12 0.24 5.5953e-11 4143 1 1 1 1 40 ARG HD3 1.547 S 3.1 0.26 2.3282e-09 4143 1 1 1 1 40 ARG HE 7.110 . 7.4 0.63 6.4529e-01 4143 1 1 1 1 40 ARG N 117.328 . 120.8 3.68 3.4544e-01 4143 1 1 1 1 40 ARG NE 123.229 A 84.63 1.68 0.0000e+00 4143 1 1 1 1 58 LEU H 7.13 . 8.23 0.65 9.0587e-02 4143 1 1 1 1 58 LEU HA 4.28 . 4.32 0.47 9.3218e-01 4143 1 1 1 1 58 LEU HB2 -1.313 A 1.61 0.34 8.1785e-18 4143 1 1 1 1 58 LEU HB3 0.071 S 1.52 0.36 5.6975e-05 4143 1 1 1 1 58 LEU HG 0.628 . 1.51 0.33 7.5237e-03 4143 1 1 1 1 58 LEU HD11 0.492 . 0.75 0.28 3.5683e-01 4143 1 1 1 1 58 LEU HD12 0.492 . 0.75 0.28 3.5683e-01 4143 1 1 1 1 58 LEU HD13 0.492 . 0.75 0.28 3.5683e-01 4143 1 1 1 1 58 LEU HD21 0.191 . 0.73 0.29 6.3081e-02 4143 1 1 1 1 58 LEU HD22 0.191 . 0.73 0.29 6.3081e-02 4143 1 1 1 1 58 LEU HD23 0.191 . 0.73 0.29 6.3081e-02 4143 1 1 1 1 58 LEU N 119.224 . 121.86 3.9 4.9911e-01 4143 1 1 1 1 61 ARG H 8.73 . 8.24 0.61 4.2181e-01 4143 1 1 1 1 61 ARG HA 3.89 . 4.3 0.46 3.7277e-01 4143 1 1 1 1 61 ARG HB2 1.595 . 1.79 0.27 4.7016e-01 4143 1 1 1 1 61 ARG HB3 1.439 . 1.76 0.28 2.5162e-01 4143 1 1 1 1 61 ARG HG2 1.130 . 1.57 0.27 1.0318e-01 4143 1 1 1 1 61 ARG HG3 1.130 . 1.54 0.29 1.5742e-01 4143 1 1 1 1 61 ARG HD2 3.001 . 3.12 0.24 6.2001e-01 4143 1 1 1 1 61 ARG HD3 2.958 . 3.1 0.26 5.8496e-01 4143 1 1 1 1 61 ARG HE 6.769 . 7.4 0.63 3.1654e-01 4143 1 1 1 1 61 ARG N 123.176 . 120.8 3.68 5.1850e-01 4143 1 1 1 1 61 ARG NE 121.660 A 84.63 1.68 0.0000e+00 4143 1 1 1 1 76 ARG H 8.91 . 8.24 0.61 2.7205e-01 4143 1 1 1 1 76 ARG HA 5.33 . 4.3 0.46 2.5147e-02 4143 1 1 1 1 76 ARG HB2 1.599 . 1.79 0.27 4.7931e-01 4143 1 1 1 1 76 ARG HB3 1.548 . 1.76 0.28 4.4896e-01 4143 1 1 1 1 76 ARG HG2 1.735 . 1.57 0.27 5.4113e-01 4143 1 1 1 1 76 ARG HG3 1.735 . 1.54 0.29 5.0132e-01 4143 1 1 1 1 76 ARG HD2 3.028 . 3.12 0.24 7.0147e-01 4143 1 1 1 1 76 ARG HD3 3.028 . 3.1 0.26 7.8184e-01 4143 1 1 1 1 76 ARG HE 7.513 . 7.4 0.63 8.5765e-01 4143 1 1 1 1 76 ARG N 118.184 . 120.8 3.68 4.7717e-01 4143 1 1 1 1 76 ARG NE 122.946 A 84.63 1.68 0.0000e+00 4143 1 1 1 1 80 ARG H 6.93 . 8.24 0.61 3.1750e-02 4143 1 1 1 1 80 ARG HA 4.52 . 4.3 0.46 6.3246e-01 4143 1 1 1 1 80 ARG HB2 2.164 . 1.79 0.27 1.6600e-01 4143 1 1 1 1 80 ARG HB3 1.306 . 1.76 0.28 1.0493e-01 4143 1 1 1 1 80 ARG HG2 1.439 . 1.57 0.27 6.2754e-01 4143 1 1 1 1 80 ARG HG3 1.474 . 1.54 0.29 8.1997e-01 4143 1 1 1 1 80 ARG HD2 3.111 . 3.12 0.24 9.7009e-01 4143 1 1 1 1 80 ARG HD3 3.052 . 3.1 0.26 8.5353e-01 4143 1 1 1 1 80 ARG HE 7.327 . 7.4 0.63 9.0775e-01 4143 1 1 1 1 80 ARG N 118.552 . 120.8 3.68 5.4129e-01 4143 1 1 1 1 80 ARG NE 122.165 A 84.63 1.68 0.0000e+00 4143 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 4143 _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 4143 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 4143 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 4143 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 4143 _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_