data_AVS_bmrb_pdb_report_7367 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 7367 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 7367 1 1 1 1 1 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7367 1 1 1 1 2 VAL Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7367 1 1 1 1 3 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7367 1 1 1 1 4 THR Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7367 1 1 1 1 5 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7367 1 1 1 1 6 LYS Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7367 1 1 1 1 7 GLY Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7367 1 1 1 1 8 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7367 1 1 1 1 9 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7367 1 1 1 1 10 ILE Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7367 1 1 1 1 11 ARG Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7367 1 1 1 1 12 ILE Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7367 1 1 1 1 13 PRO Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . 7367 1 1 1 1 14 PRO Anomalous Indeterminable Consistent Anomalous Indeterminable Indeterminable . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _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 7367 1 1 1 1 1 ARG H ? M 8.24 0.6 6.4115e-43 7367 1 1 1 1 1 ARG HA ? M 4.27 0.44 2.8836e-22 7367 1 1 1 1 1 ARG HB2 ? S 1.79 0.28 1.6281e-10 7367 1 1 1 1 1 ARG HB3 ? S 1.78 0.28 2.0554e-10 7367 1 1 1 1 1 ARG HG2 ? S 1.58 0.27 4.8613e-09 7367 1 1 1 1 1 ARG HG3 ? S 1.58 0.27 4.8613e-09 7367 1 1 1 1 1 ARG HD2 ? M 3.13 0.23 3.5553e-42 7367 1 1 1 1 1 ARG HD3 ? M 3.13 0.22 6.2055e-46 7367 1 1 1 1 1 ARG HE ? M 7.32 0.52 5.2653e-45 7367 1 1 1 1 2 VAL H ? M 8.29 0.71 1.6895e-31 7367 1 1 1 1 2 VAL HA ? M 4.16 0.57 2.9154e-13 7367 1 1 1 1 2 VAL HB ? S 1.99 0.33 1.6365e-09 7367 1 1 1 1 2 VAL HG1 ? . 0.84 0.27 1.8638e-03 7367 1 1 1 1 2 VAL HG2 ? . 0.83 0.29 4.2089e-03 7367 1 1 1 1 3 ARG H ? M 8.24 0.6 6.4115e-43 7367 1 1 1 1 3 ARG HA ? M 4.27 0.44 2.8836e-22 7367 1 1 1 1 3 ARG HB2 ? S 1.79 0.28 1.6281e-10 7367 1 1 1 1 3 ARG HB3 ? S 1.78 0.28 2.0554e-10 7367 1 1 1 1 3 ARG HG2 ? S 1.58 0.27 4.8613e-09 7367 1 1 1 1 3 ARG HG3 ? S 1.58 0.27 4.8613e-09 7367 1 1 1 1 4 THR H ? M 8.27 0.62 1.3782e-40 7367 1 1 1 1 4 THR HA ? M 4.48 0.5 3.2468e-19 7367 1 1 1 1 4 THR HB ? M 4.17 0.37 1.8400e-29 7367 1 1 1 1 4 THR HG2 ? S 1.16 0.28 3.4301e-05 7367 1 1 1 1 5 ARG H ? M 8.24 0.6 6.4115e-43 7367 1 1 1 1 5 ARG HA ? M 4.27 0.44 2.8836e-22 7367 1 1 1 1 5 ARG HB2 ? S 1.79 0.28 1.6281e-10 7367 1 1 1 1 5 ARG HB3 ? S 1.78 0.28 2.0554e-10 7367 1 1 1 1 5 ARG HG2 ? S 1.58 0.27 4.8613e-09 7367 1 1 1 1 5 ARG HG3 ? S 1.58 0.27 4.8613e-09 7367 1 1 1 1 6 LYS H ? M 8.22 0.64 9.3246e-38 7367 1 1 1 1 6 LYS HA ? M 4.28 0.45 1.8864e-21 7367 1 1 1 1 6 LYS HB2 ? S 1.79 0.25 8.0677e-13 7367 1 1 1 1 6 LYS HB3 ? S 1.78 0.26 7.5862e-12 7367 1 1 1 1 6 LYS HG2 ? S 1.38 0.27 3.2027e-07 7367 1 1 1 1 6 LYS HG3 ? S 1.37 0.29 2.3109e-06 7367 1 1 1 1 6 LYS HD2 ? M 1.61 0.25 1.1947e-10 7367 1 1 1 1 6 LYS HD3 ? M 1.61 0.25 1.1947e-10 7367 1 1 1 1 6 LYS HE2 ? M 2.93 0.2 1.3472e-48 7367 1 1 1 1 6 LYS HE3 ? M 2.93 0.2 1.3472e-48 7367 1 1 1 1 7 GLY H ? M 8.34 0.74 1.8400e-29 7367 1 1 1 1 7 GLY HA2 ? M 3.95 0.4 5.3433e-23 7367 1 1 1 1 7 GLY HA3 ? M 3.93 0.4 8.7874e-23 7367 1 1 1 1 8 ARG H ? M 8.24 0.6 6.4115e-43 7367 1 1 1 1 8 ARG HA ? M 4.27 0.44 2.8836e-22 7367 1 1 1 1 8 ARG HB2 ? S 1.79 0.28 1.6281e-10 7367 1 1 1 1 8 ARG HB3 ? S 1.78 0.28 2.0554e-10 7367 1 1 1 1 8 ARG HG2 ? S 1.58 0.27 4.8613e-09 7367 1 1 1 1 8 ARG HG3 ? S 1.58 0.27 4.8613e-09 7367 1 1 1 1 9 ARG H ? M 8.24 0.6 6.4115e-43 7367 1 1 1 1 9 ARG HA ? M 4.27 0.44 2.8836e-22 7367 1 1 1 1 9 ARG HB2 ? S 1.79 0.28 1.6281e-10 7367 1 1 1 1 9 ARG HB3 ? S 1.78 0.28 2.0554e-10 7367 1 1 1 1 9 ARG HG2 ? S 1.58 0.27 4.8613e-09 7367 1 1 1 1 9 ARG HG3 ? S 1.58 0.27 4.8613e-09 7367 1 1 1 1 9 ARG HD2 ? M 3.13 0.23 3.5553e-42 7367 1 1 1 1 9 ARG HD3 ? M 3.13 0.22 6.2055e-46 7367 1 1 1 1 9 ARG HE ? M 7.32 0.52 5.2653e-45 7367 1 1 1 1 10 ILE H ? M 8.26 0.71 2.7746e-31 7367 1 1 1 1 10 ILE HA ? M 4.2 0.56 6.3818e-14 7367 1 1 1 1 10 ILE HB ? S 1.8 0.31 6.3811e-09 7367 1 1 1 1 10 ILE HG2 ? . 0.8 0.29 5.8046e-03 7367 1 1 1 1 10 ILE HG12 ? . 1.3 0.4 1.1541e-03 7367 1 1 1 1 10 ILE HG13 ? . 1.24 0.4 1.9352e-03 7367 1 1 1 1 10 ILE HD1 ? . 0.7 0.3 1.9631e-02 7367 1 1 1 1 11 ARG H ? M 8.24 0.6 6.4115e-43 7367 1 1 1 1 11 ARG HA ? M 4.27 0.44 2.8836e-22 7367 1 1 1 1 11 ARG HB2 ? S 1.79 0.28 1.6281e-10 7367 1 1 1 1 11 ARG HB3 ? S 1.78 0.28 2.0554e-10 7367 1 1 1 1 11 ARG HG2 ? S 1.58 0.27 4.8613e-09 7367 1 1 1 1 11 ARG HG3 ? S 1.58 0.27 4.8613e-09 7367 1 1 1 1 12 ILE H ? M 8.26 0.71 2.7746e-31 7367 1 1 1 1 12 ILE HA ? M 4.2 0.56 6.3818e-14 7367 1 1 1 1 12 ILE HB ? S 1.8 0.31 6.3811e-09 7367 1 1 1 1 12 ILE HG2 ? . 0.8 0.29 5.8046e-03 7367 1 1 1 1 12 ILE HG12 ? . 1.3 0.4 1.1541e-03 7367 1 1 1 1 12 ILE HG13 ? . 1.24 0.4 1.9352e-03 7367 1 1 1 1 13 PRO HA ? M 4.41 0.36 1.6800e-34 7367 1 1 1 1 13 PRO HB2 ? S 2.05 0.39 1.4689e-07 7367 1 1 1 1 13 PRO HB3 ? S 2.05 0.39 1.4689e-07 7367 1 1 1 1 13 PRO HG2 ? S 1.93 0.36 8.2712e-08 7367 1 1 1 1 13 PRO HG3 ? S 1.92 0.37 2.1121e-07 7367 1 1 1 1 13 PRO HD2 ? M 3.64 0.36 4.9322e-24 7367 1 1 1 1 13 PRO HD3 ? M 3.63 0.4 1.1368e-19 7367 1 1 1 1 14 PRO HA ? M 4.41 0.36 1.6800e-34 7367 1 1 1 1 14 PRO HB2 ? S 2.05 0.39 1.4689e-07 7367 1 1 1 1 14 PRO HB3 ? S 2.05 0.39 1.4689e-07 7367 1 1 1 1 14 PRO HG2 ? S 1.93 0.36 8.2712e-08 7367 1 1 1 1 14 PRO HG3 ? S 1.92 0.37 2.1121e-07 7367 1 1 1 1 14 PRO HD2 ? M 3.64 0.36 4.9322e-24 7367 1 1 1 1 14 PRO HD3 ? M 3.63 0.4 1.1368e-19 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 7367 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 7367 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 7367 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 7367 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 7367 _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_