data_AVS_bmrb_pdb_report_12041 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 12041 _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 . . 12041 1 1 1 1 16 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 12041 1 1 1 1 32 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 12041 1 1 1 1 45 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 12041 1 1 1 1 50 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 12041 1 1 1 1 63 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 12041 1 1 1 1 75 LYS Anomalous Consistent Consistent Unknown Consistent Anomalous . . 12041 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 CA 57.082 . 56.77 2.31 8.9256e-01 12041 1 1 1 1 14 ARG CB 30.273 . 30.7 1.83 8.1550e-01 12041 1 1 1 1 14 ARG CG 27.894 . 27.21 1.2 5.6868e-01 12041 1 1 1 1 14 ARG CD 41.895 . 43.16 0.88 1.5058e-01 12041 1 1 1 1 14 ARG H 7.019 . 8.24 0.61 4.5324e-02 12041 1 1 1 1 14 ARG HA 4.324 . 4.3 0.46 9.5839e-01 12041 1 1 1 1 14 ARG HB2 1.964 . 1.79 0.27 5.1929e-01 12041 1 1 1 1 14 ARG HB3 1.666 . 1.76 0.28 7.3709e-01 12041 1 1 1 1 14 ARG HD2 3.267 . 3.12 0.24 5.4021e-01 12041 1 1 1 1 14 ARG HD3 3.049 . 3.1 0.26 8.4449e-01 12041 1 1 1 1 14 ARG HE 8.484 . 7.4 0.63 8.5317e-02 12041 1 1 1 1 14 ARG N 114.074 . 120.8 3.68 6.7592e-02 12041 1 1 1 1 14 ARG NE 115.065 A 84.63 1.68 2.3799e-73 12041 1 1 1 1 16 ARG CA 57.894 . 56.77 2.31 6.2656e-01 12041 1 1 1 1 16 ARG CB 31.147 . 30.7 1.83 8.0703e-01 12041 1 1 1 1 16 ARG CG 27.262 . 27.21 1.2 9.6544e-01 12041 1 1 1 1 16 ARG CD 43.813 . 43.16 0.88 4.5806e-01 12041 1 1 1 1 16 ARG H 7.536 . 8.24 0.61 2.4846e-01 12041 1 1 1 1 16 ARG HA 3.768 . 4.3 0.46 2.4747e-01 12041 1 1 1 1 16 ARG HB2 1.711 . 1.79 0.27 7.6983e-01 12041 1 1 1 1 16 ARG HB3 1.673 . 1.76 0.28 7.5602e-01 12041 1 1 1 1 16 ARG HG2 1.537 . 1.57 0.27 9.0272e-01 12041 1 1 1 1 16 ARG HG3 1.537 . 1.54 0.29 9.9175e-01 12041 1 1 1 1 16 ARG HD2 3.034 . 3.12 0.24 7.2009e-01 12041 1 1 1 1 16 ARG HD3 2.970 . 3.1 0.26 6.1707e-01 12041 1 1 1 1 16 ARG HE 8.478 . 7.4 0.63 8.7061e-02 12041 1 1 1 1 16 ARG N 121.880 . 120.8 3.68 7.6916e-01 12041 1 1 1 1 16 ARG NE 121.399 A 84.63 1.68 0.0000e+00 12041 1 1 1 1 32 LYS CA 57.163 . 56.95 2.2 9.2287e-01 12041 1 1 1 1 32 LYS CB 31.600 . 32.79 1.78 5.0379e-01 12041 1 1 1 1 32 LYS CG 24.746 . 24.89 1.13 8.9860e-01 12041 1 1 1 1 32 LYS CD 28.633 . 28.96 1.08 7.6206e-01 12041 1 1 1 1 32 LYS CE 41.729 . 41.89 0.82 8.4434e-01 12041 1 1 1 1 32 LYS H 8.519 . 8.19 0.6 5.8346e-01 12041 1 1 1 1 32 LYS HA 4.213 . 4.27 0.44 8.9693e-01 12041 1 1 1 1 32 LYS HB2 1.884 . 1.78 0.25 6.7741e-01 12041 1 1 1 1 32 LYS HB3 1.787 . 1.74 0.27 8.6181e-01 12041 1 1 1 1 32 LYS HG2 1.450 . 1.37 0.26 7.5832e-01 12041 1 1 1 1 32 LYS HG3 1.450 . 1.35 0.28 7.2098e-01 12041 1 1 1 1 32 LYS HD2 1.707 . 1.61 0.22 6.5928e-01 12041 1 1 1 1 32 LYS HD3 1.707 . 1.6 0.22 6.2671e-01 12041 1 1 1 1 32 LYS HE2 2.982 . 2.92 0.19 7.4419e-01 12041 1 1 1 1 32 LYS HE3 2.982 . 2.91 0.2 7.1885e-01 12041 1 1 1 1 32 LYS HZ1 8.210 U . 0 . 12041 1 1 1 1 32 LYS HZ2 8.210 U . 0 . 12041 1 1 1 1 32 LYS HZ3 8.210 U . 0 . 12041 1 1 1 1 32 LYS N 119.142 . 121.05 3.77 6.1279e-01 12041 1 1 1 1 32 LYS NZ 120.012 A 33.81 2.81 0.0000e+00 12041 1 1 1 1 45 ARG CA 60.591 . 56.77 2.31 9.8105e-02 12041 1 1 1 1 45 ARG CB 31.030 . 30.7 1.83 8.5690e-01 12041 1 1 1 1 45 ARG CG 26.115 . 27.21 1.2 3.6151e-01 12041 1 1 1 1 45 ARG CD 44.346 . 43.16 0.88 1.7775e-01 12041 1 1 1 1 45 ARG H 7.964 . 8.24 0.61 6.5094e-01 12041 1 1 1 1 45 ARG HA 3.807 . 4.3 0.46 2.8384e-01 12041 1 1 1 1 45 ARG HB2 2.106 . 1.79 0.27 2.4185e-01 12041 1 1 1 1 45 ARG HB3 1.899 . 1.76 0.28 6.1959e-01 12041 1 1 1 1 45 ARG HG2 1.478 . 1.57 0.27 7.3330e-01 12041 1 1 1 1 45 ARG HG3 1.478 . 1.54 0.29 8.3071e-01 12041 1 1 1 1 45 ARG HD2 3.199 . 3.12 0.24 7.4203e-01 12041 1 1 1 1 45 ARG HD3 2.785 . 3.1 0.26 2.2569e-01 12041 1 1 1 1 45 ARG HE 7.832 . 7.4 0.63 4.9289e-01 12041 1 1 1 1 45 ARG N 112.276 . 120.8 3.68 2.0542e-02 12041 1 1 1 1 45 ARG NE 114.681 A 84.63 1.68 1.4758e-71 12041 1 1 1 1 50 ARG CA 59.534 . 56.77 2.31 2.3149e-01 12041 1 1 1 1 50 ARG CB 29.866 . 30.7 1.83 6.4858e-01 12041 1 1 1 1 50 ARG CG 27.153 . 27.21 1.2 9.6211e-01 12041 1 1 1 1 50 ARG CD 43.665 . 43.16 0.88 5.6606e-01 12041 1 1 1 1 50 ARG H 8.494 . 8.24 0.61 6.7712e-01 12041 1 1 1 1 50 ARG HA 4.007 . 4.3 0.46 5.2415e-01 12041 1 1 1 1 50 ARG HB2 1.913 . 1.79 0.27 6.4871e-01 12041 1 1 1 1 50 ARG HB3 1.515 . 1.76 0.28 3.8157e-01 12041 1 1 1 1 50 ARG HG2 1.277 . 1.57 0.27 2.7784e-01 12041 1 1 1 1 50 ARG HG3 1.277 . 1.54 0.29 3.6446e-01 12041 1 1 1 1 50 ARG HD2 3.217 . 3.12 0.24 6.8609e-01 12041 1 1 1 1 50 ARG HD3 2.952 . 3.1 0.26 5.6920e-01 12041 1 1 1 1 50 ARG HE 7.083 . 7.4 0.63 6.1484e-01 12041 1 1 1 1 50 ARG N 120.877 . 120.8 3.68 9.8331e-01 12041 1 1 1 1 50 ARG NE 113.909 A 84.63 1.68 5.0606e-68 12041 1 1 1 1 63 ARG CA 54.104 . 56.77 2.31 2.4845e-01 12041 1 1 1 1 63 ARG CB 31.061 . 30.7 1.83 8.4362e-01 12041 1 1 1 1 63 ARG CG 26.400 . 27.21 1.2 4.9968e-01 12041 1 1 1 1 63 ARG CD 42.292 . 43.16 0.88 3.2395e-01 12041 1 1 1 1 63 ARG H 8.924 . 8.24 0.61 2.6216e-01 12041 1 1 1 1 63 ARG HA 4.854 . 4.3 0.46 2.2846e-01 12041 1 1 1 1 63 ARG HB2 2.250 . 1.79 0.27 8.8436e-02 12041 1 1 1 1 63 ARG HB3 1.729 . 1.76 0.28 9.1184e-01 12041 1 1 1 1 63 ARG HD2 3.435 . 3.12 0.24 1.8935e-01 12041 1 1 1 1 63 ARG HD3 3.217 . 3.1 0.26 6.5271e-01 12041 1 1 1 1 63 ARG HE 7.647 . 7.4 0.63 6.9501e-01 12041 1 1 1 1 63 ARG N 118.620 . 120.8 3.68 5.5359e-01 12041 1 1 1 1 63 ARG NE 115.116 A 84.63 1.68 1.3703e-73 12041 1 1 1 1 75 LYS CB 32.242 . 32.79 1.78 7.5818e-01 12041 1 1 1 1 75 LYS H 7.992 . 8.19 0.6 7.4140e-01 12041 1 1 1 1 75 LYS HA 4.545 . 4.27 0.44 5.3197e-01 12041 1 1 1 1 75 LYS HB2 1.694 . 1.78 0.25 7.3085e-01 12041 1 1 1 1 75 LYS HB3 1.614 . 1.74 0.27 6.4074e-01 12041 1 1 1 1 75 LYS HD2 1.275 . 1.61 0.22 1.2783e-01 12041 1 1 1 1 75 LYS HD3 1.275 . 1.6 0.22 1.3960e-01 12041 1 1 1 1 75 LYS HZ1 7.854 U . 0 . 12041 1 1 1 1 75 LYS HZ2 7.854 U . 0 . 12041 1 1 1 1 75 LYS HZ3 7.854 U . 0 . 12041 1 1 1 1 75 LYS N 119.138 . 121.05 3.77 6.1204e-01 12041 1 1 1 1 75 LYS NZ 118.964 A 33.81 2.81 0.0000e+00 12041 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 CYS 0.41 12041 1 1 1 1 14 ARG ARG 0.3 12041 1 1 1 1 14 ARG LYS 0.26 12041 1 1 1 1 16 ARG CYS 0.43 12041 1 1 1 1 16 ARG ARG 0.42 12041 1 1 1 1 16 ARG GLY 0.11 12041 1 1 1 1 16 ARG LYS 0.02 12041 1 1 1 1 32 LYS LYS 0.43 12041 1 1 1 1 32 LYS CYS 0.4 12041 1 1 1 1 32 LYS ARG 0.15 12041 1 1 1 1 45 ARG CYS 0.51 12041 1 1 1 1 45 ARG GLY 0.3 12041 1 1 1 1 45 ARG ARG 0.16 12041 1 1 1 1 50 ARG CYS 0.46 12041 1 1 1 1 50 ARG ARG 0.4 12041 1 1 1 1 50 ARG GLY 0.11 12041 1 1 1 1 50 ARG LYS 0.01 12041 1 1 1 1 63 ARG ARG 0.42 12041 1 1 1 1 63 ARG CYS 0.31 12041 1 1 1 1 63 ARG LYS 0.23 12041 1 1 1 1 63 ARG GLY 0.01 12041 1 1 1 1 75 LYS CYS 0.17 12041 1 1 1 1 75 LYS MET 0.15 12041 1 1 1 1 75 LYS VAL 0.14 12041 1 1 1 1 75 LYS LYS 0.13 12041 1 1 1 1 75 LYS PRO 0.13 12041 1 1 1 1 75 LYS ARG 0.07 12041 1 1 1 1 75 LYS HIS 0.06 12041 1 1 1 1 75 LYS TRP 0.04 12041 1 1 1 1 75 LYS GLU 0.03 12041 1 1 1 1 75 LYS GLN 0.03 12041 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 12041 _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 12041 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 12041 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 12041 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 12041 _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_