data_AVS_bmrb_pdb_report_25176 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 25176 _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 1 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 2 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 3 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 4 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 5 LYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 6 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 7 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 8 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 9 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 10 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 12 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 13 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 14 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 15 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 16 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 17 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 18 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 19 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 20 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 22 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 23 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 24 PHE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 25 SER Anomalous Consistent Consistent Suspicious Consistent Anomalous . . 25176 1 1 1 1 27 TRP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 28 THR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 30 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 31 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 32 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 33 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 34 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 35 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 36 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 37 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 39 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 40 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 41 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 42 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 44 SER Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 45 LYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 46 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 47 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 49 SER Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 50 PHE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 51 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 52 ASP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 53 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 54 LYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 55 ASP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 56 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 57 SER Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 58 CYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 59 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 60 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 61 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 62 TYR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 63 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 64 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 65 GLN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 66 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 68 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 69 ASP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 70 TYR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 71 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 72 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 73 SER Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 74 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 75 LYS Anomalous Suspicious Consistent Consistent Suspicious Anomalous . . 25176 1 1 1 1 76 PHE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 77 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 78 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 79 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 80 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 83 ASP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 84 SER Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 86 PHE Anomalous Consistent Suspicious Consistent Anomalous Anomalous "CE2 > CA" 0.9973 25176 1 1 1 1 87 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 88 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 90 VAL Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 91 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 92 SER Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 94 SER Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 1 95 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 1 LYS Anomalous Consistent Consistent Consistent Suspicious Anomalous . . 25176 1 1 1 3 2 LYS Anomalous Consistent Consistent Consistent Suspicious Anomalous . . 25176 1 1 1 3 3 LYS Anomalous Consistent Consistent Consistent Suspicious Anomalous . . 25176 1 1 1 3 4 ILE Anomalous Suspicious Consistent Consistent Suspicious Anomalous . . 25176 1 1 1 3 5 THR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 6 ILE Anomalous Suspicious Consistent Consistent Suspicious Anomalous . . 25176 1 1 1 3 7 HIS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 8 ASP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 9 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 10 LYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 11 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 12 PHE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 13 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 14 LYS Anomalous Suspicious Consistent Suspicious Anomalous Anomalous . . 25176 1 1 1 3 15 PHE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 16 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 17 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 18 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 19 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 20 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 21 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 22 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 23 LYS Anomalous Suspicious Consistent Suspicious Anomalous Anomalous . . 25176 1 1 1 3 25 ASP Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 26 THR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 27 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 28 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 29 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 31 LEU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 32 TYR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 33 LYS Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 34 GLU Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 35 ALA Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 36 THR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 37 SER Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 38 THR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 39 PHE Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 40 THR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 41 ASN Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 42 ILE Anomalous Suspicious Consistent Consistent Suspicious Anomalous . . 25176 1 1 1 3 43 THR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 44 TYR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 45 ARG Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 46 GLY Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 1 1 1 3 47 THR Anomalous Consistent Consistent Consistent Consistent Anomalous . . 25176 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 1 GLY CA 45.441 . 45.35 1.34 9.4586e-01 25176 1 1 1 1 1 GLY H 8.465 . 8.33 0.65 8.3547e-01 25176 1 1 1 1 1 GLY HA2 3.923 . 3.97 0.37 8.9892e-01 25176 1 1 1 1 1 GLY HA3 4.019 . 3.9 0.37 7.4774e-01 25176 1 1 1 1 1 GLY N 23.653 A 109.67 3.87 0.0000e+00 25176 1 1 1 1 2 GLY CA 45.553 . 45.35 1.34 8.7959e-01 25176 1 1 1 1 2 GLY H 8.286 . 8.33 0.65 9.4603e-01 25176 1 1 1 1 2 GLY HA2 4.296 . 3.97 0.37 3.7827e-01 25176 1 1 1 1 2 GLY HA3 3.86 . 3.9 0.37 9.1391e-01 25176 1 1 1 1 2 GLY N 22.005 A 109.67 3.87 0.0000e+00 25176 1 1 1 1 3 ALA CA 55.232 . 53.14 1.98 2.9071e-01 25176 1 1 1 1 3 ALA CB 19.576 . 19.01 1.83 7.5710e-01 25176 1 1 1 1 3 ALA H 8.768 . 8.2 0.6 3.4381e-01 25176 1 1 1 1 3 ALA HA 3.79 . 4.26 0.44 2.8544e-01 25176 1 1 1 1 3 ALA HB1 1.587 . 1.35 0.26 3.6201e-01 25176 1 1 1 1 3 ALA HB2 1.587 . 1.35 0.26 3.6201e-01 25176 1 1 1 1 3 ALA HB3 1.587 . 1.35 0.26 3.6201e-01 25176 1 1 1 1 3 ALA N 50.288 A 123.23 3.54 0.0000e+00 25176 1 1 1 1 4 HIS CA 57.707 . 56.52 2.31 6.0735e-01 25176 1 1 1 1 4 HIS CB 29.298 . 30.24 2.07 6.4906e-01 25176 1 1 1 1 4 HIS H 8.131 . 8.24 0.68 8.7265e-01 25176 1 1 1 1 4 HIS HA 4.371 . 4.61 0.43 5.7834e-01 25176 1 1 1 1 4 HIS HB2 3.14 . 3.1 0.36 9.1153e-01 25176 1 1 1 1 4 HIS HB3 3.069 . 3.04 0.38 9.3917e-01 25176 1 1 1 1 4 HIS N 29.468 A 119.69 4 0.0000e+00 25176 1 1 1 1 5 LYS CA 55.5 . 56.95 2.2 5.0984e-01 25176 1 1 1 1 5 LYS CB 32.834 . 32.79 1.78 9.8028e-01 25176 1 1 1 1 5 LYS CG 24.74 . 24.89 1.13 8.9440e-01 25176 1 1 1 1 5 LYS CD 28.244 . 28.96 1.08 5.0735e-01 25176 1 1 1 1 5 LYS CE 41.868 . 41.89 0.82 9.7860e-01 25176 1 1 1 1 5 LYS H 7.581 . 8.19 0.6 3.1011e-01 25176 1 1 1 1 5 LYS HA 4.19 . 4.27 0.44 8.5573e-01 25176 1 1 1 1 5 LYS HB2 1.779 . 1.78 0.25 9.9681e-01 25176 1 1 1 1 5 LYS HB3 1.668 . 1.74 0.27 7.8973e-01 25176 1 1 1 1 5 LYS HG2 1.276 . 1.37 0.26 7.1770e-01 25176 1 1 1 1 5 LYS HD2 1.552 . 1.61 0.22 7.9206e-01 25176 1 1 1 1 5 LYS HD3 1.564 . 1.6 0.22 8.7002e-01 25176 1 1 1 1 5 LYS HE2 2.879 . 2.92 0.19 8.2915e-01 25176 1 1 1 1 5 LYS N 41.596 A 121.05 3.77 0.0000e+00 25176 1 1 1 1 6 VAL CA 62.893 . 62.49 2.86 8.8794e-01 25176 1 1 1 1 6 VAL CB 31.798 . 32.73 1.79 6.0260e-01 25176 1 1 1 1 6 VAL CG1 21.04 . 21.49 1.36 7.4073e-01 25176 1 1 1 1 6 VAL CG2 21.04 . 21.26 1.56 8.8785e-01 25176 1 1 1 1 6 VAL H 7.48 . 8.29 0.67 2.2668e-01 25176 1 1 1 1 6 VAL HA 4.605 . 4.19 0.58 4.7429e-01 25176 1 1 1 1 6 VAL HB 1.994 . 1.98 0.32 9.6510e-01 25176 1 1 1 1 6 VAL HG11 0.859 . 0.83 0.26 9.1119e-01 25176 1 1 1 1 6 VAL HG12 0.746 . 0.83 0.26 7.4664e-01 25176 1 1 1 1 6 VAL HG13 0.859 . 0.83 0.26 9.1119e-01 25176 1 1 1 1 6 VAL HG21 0.859 . 0.8 0.28 8.3311e-01 25176 1 1 1 1 6 VAL HG22 0.746 . 0.8 0.28 8.4707e-01 25176 1 1 1 1 6 VAL HG23 0.859 . 0.8 0.28 8.3311e-01 25176 1 1 1 1 6 VAL N 51.951 A 121.14 4.54 1.9226e-52 25176 1 1 1 1 7 ARG CA 54.095 . 56.77 2.31 2.4686e-01 25176 1 1 1 1 7 ARG CB 34.533 . 30.7 1.83 3.6212e-02 25176 1 1 1 1 7 ARG CG 26.979 . 27.21 1.2 8.4735e-01 25176 1 1 1 1 7 ARG CD 42.841 . 43.16 0.88 7.1698e-01 25176 1 1 1 1 7 ARG H 7.841 . 8.24 0.61 5.1305e-01 25176 1 1 1 1 7 ARG HA 5.074 . 4.3 0.46 9.2451e-02 25176 1 1 1 1 7 ARG HB2 1.837 . 1.79 0.27 8.6181e-01 25176 1 1 1 1 7 ARG HB3 1.917 . 1.76 0.28 5.7499e-01 25176 1 1 1 1 7 ARG HG2 1.637 . 1.57 0.27 8.0402e-01 25176 1 1 1 1 7 ARG HG3 1.561 . 1.54 0.29 9.4227e-01 25176 1 1 1 1 7 ARG HD2 3.101 . 3.12 0.24 9.3690e-01 25176 1 1 1 1 7 ARG HD3 3.156 . 3.1 0.26 8.2947e-01 25176 1 1 1 1 7 ARG N 51.897 A 120.8 3.68 3.1767e-78 25176 1 1 1 1 8 ALA CA 50.672 . 53.14 1.98 2.1259e-01 25176 1 1 1 1 8 ALA CB 23.884 . 19.01 1.83 7.7358e-03 25176 1 1 1 1 8 ALA H 8.83 . 8.2 0.6 2.9372e-01 25176 1 1 1 1 8 ALA HA 5.672 . 4.26 0.44 1.3316e-03 25176 1 1 1 1 8 ALA HB1 1.273 . 1.35 0.26 7.6711e-01 25176 1 1 1 1 8 ALA HB2 1.273 . 1.35 0.26 7.6711e-01 25176 1 1 1 1 8 ALA HB3 1.273 . 1.35 0.26 7.6711e-01 25176 1 1 1 1 8 ALA N 54.002 A 123.23 3.54 3.6723e-85 25176 1 1 1 1 9 GLY CA 46.205 . 45.35 1.34 5.2343e-01 25176 1 1 1 1 9 GLY H 8.631 . 8.33 0.65 6.4331e-01 25176 1 1 1 1 9 GLY HA2 4.703 . 3.97 0.37 4.7582e-02 25176 1 1 1 1 9 GLY HA3 4.163 . 3.9 0.37 4.7720e-01 25176 1 1 1 1 9 GLY N 18.651 A 109.67 3.87 0.0000e+00 25176 1 1 1 1 10 GLY CA 45.026 . 45.35 1.34 8.0894e-01 25176 1 1 1 1 10 GLY H 8.761 . 8.33 0.65 5.0728e-01 25176 1 1 1 1 10 GLY HA2 4.884 . 3.97 0.37 1.3501e-02 25176 1 1 1 1 10 GLY HA3 3.796 . 3.9 0.37 7.7865e-01 25176 1 1 1 1 10 GLY N 30.385 A 109.67 3.87 0.0000e+00 25176 1 1 1 1 12 GLY CA 46.418 . 45.35 1.34 4.2544e-01 25176 1 1 1 1 12 GLY H 9.156 . 8.33 0.65 2.0381e-01 25176 1 1 1 1 12 GLY HA2 4.285 . 3.97 0.37 3.9457e-01 25176 1 1 1 1 12 GLY HA3 3.295 . 3.9 0.37 1.0202e-01 25176 1 1 1 1 12 GLY N 12.013 A 109.67 3.87 0.0000e+00 25176 1 1 1 1 13 LEU CA 54.37 . 55.62 2.13 5.5730e-01 25176 1 1 1 1 13 LEU CB 40.453 . 42.31 1.88 3.2327e-01 25176 1 1 1 1 13 LEU CG 28.35 . 26.78 1.1 1.5350e-01 25176 1 1 1 1 13 LEU CD1 24.31 . 24.72 1.59 7.9651e-01 25176 1 1 1 1 13 LEU CD2 24.2 . 24.05 1.7 9.2969e-01 25176 1 1 1 1 13 LEU H 7.527 . 8.23 0.65 2.7946e-01 25176 1 1 1 1 13 LEU HA 4.17 . 4.32 0.47 7.4961e-01 25176 1 1 1 1 13 LEU HB2 1.386 . 1.61 0.34 5.1001e-01 25176 1 1 1 1 13 LEU HB3 1.227 . 1.52 0.36 4.1571e-01 25176 1 1 1 1 13 LEU HG 1.503 . 1.51 0.33 9.8308e-01 25176 1 1 1 1 13 LEU HD11 0.986 . 0.75 0.28 3.9931e-01 25176 1 1 1 1 13 LEU HD12 0.986 . 0.75 0.28 3.9931e-01 25176 1 1 1 1 13 LEU HD13 0.986 . 0.75 0.28 3.9931e-01 25176 1 1 1 1 13 LEU HD21 0.837 . 0.73 0.29 7.1215e-01 25176 1 1 1 1 13 LEU HD22 0.837 . 0.73 0.29 7.1215e-01 25176 1 1 1 1 13 LEU HD23 0.837 . 0.73 0.29 7.1215e-01 25176 1 1 1 1 13 LEU N 37.834 A 121.86 3.9 0.0000e+00 25176 1 1 1 1 14 GLU CA 57.432 . 57.32 2.09 9.5726e-01 25176 1 1 1 1 14 GLU CB 32.166 . 30.01 1.72 2.1003e-01 25176 1 1 1 1 14 GLU CG 35.55 . 36.11 1.19 6.3793e-01 25176 1 1 1 1 14 GLU H 7.92 . 8.33 0.59 4.8711e-01 25176 1 1 1 1 14 GLU HA 4.47 . 4.25 0.41 5.9155e-01 25176 1 1 1 1 14 GLU HB2 2.071 . 2.02 0.21 8.0812e-01 25176 1 1 1 1 14 GLU HG2 2.178 . 2.27 0.21 6.6132e-01 25176 1 1 1 1 14 GLU HG3 2.337 . 2.25 0.22 6.9251e-01 25176 1 1 1 1 14 GLU N 44.262 A 120.67 3.48 0.0000e+00 25176 1 1 1 1 15 ARG CA 56.348 . 56.77 2.31 8.5505e-01 25176 1 1 1 1 15 ARG CB 31.77 . 30.7 1.83 5.5875e-01 25176 1 1 1 1 15 ARG CG 25.88 . 27.21 1.2 2.6772e-01 25176 1 1 1 1 15 ARG CD 43.12 . 43.16 0.88 9.6375e-01 25176 1 1 1 1 15 ARG H 8.236 . 8.24 0.61 9.9477e-01 25176 1 1 1 1 15 ARG HA 4.577 . 4.3 0.46 5.4706e-01 25176 1 1 1 1 15 ARG HB2 2 . 1.79 0.27 4.3670e-01 25176 1 1 1 1 15 ARG HB3 1.868 . 1.76 0.28 6.9971e-01 25176 1 1 1 1 15 ARG HG2 1.576 . 1.57 0.27 9.8227e-01 25176 1 1 1 1 15 ARG HG3 1.462 . 1.54 0.29 7.8796e-01 25176 1 1 1 1 15 ARG HD2 3.147 . 3.12 0.24 9.1043e-01 25176 1 1 1 1 15 ARG N 35.909 A 120.8 3.68 0.0000e+00 25176 1 1 1 1 16 ALA CA 51.279 . 53.14 1.98 3.4727e-01 25176 1 1 1 1 16 ALA CB 23.175 . 19.01 1.83 2.2849e-02 25176 1 1 1 1 16 ALA H 7.968 . 8.2 0.6 6.9900e-01 25176 1 1 1 1 16 ALA HA 4.637 . 4.26 0.44 3.9155e-01 25176 1 1 1 1 16 ALA HB1 1.358 . 1.35 0.26 9.7545e-01 25176 1 1 1 1 16 ALA HB2 1.358 . 1.35 0.26 9.7545e-01 25176 1 1 1 1 16 ALA HB3 1.358 . 1.35 0.26 9.7545e-01 25176 1 1 1 1 16 ALA N 47.79 A 123.23 3.54 0.0000e+00 25176 1 1 1 1 17 GLU CA 54.555 . 57.32 2.09 1.8585e-01 25176 1 1 1 1 17 GLU CB 33.242 . 30.01 1.72 6.0235e-02 25176 1 1 1 1 17 GLU CG 36.62 . 36.11 1.19 6.6823e-01 25176 1 1 1 1 17 GLU H 9.233 . 8.33 0.59 1.2589e-01 25176 1 1 1 1 17 GLU HA 4.83 . 4.25 0.41 1.5718e-01 25176 1 1 1 1 17 GLU HB2 1.721 . 2.02 0.21 1.5450e-01 25176 1 1 1 1 17 GLU HB3 1.636 . 1.99 0.23 1.2377e-01 25176 1 1 1 1 17 GLU HG2 2.054 . 2.27 0.21 3.0368e-01 25176 1 1 1 1 17 GLU N 47.297 A 120.67 3.48 0.0000e+00 25176 1 1 1 1 18 ALA CA 53.394 . 53.14 1.98 8.9793e-01 25176 1 1 1 1 18 ALA CB 17.564 . 19.01 1.83 4.2943e-01 25176 1 1 1 1 18 ALA H 8.398 . 8.2 0.6 7.4140e-01 25176 1 1 1 1 18 ALA HA 3.645 . 4.26 0.44 1.6219e-01 25176 1 1 1 1 18 ALA HB1 0.987 . 1.35 0.26 1.6267e-01 25176 1 1 1 1 18 ALA HB2 0.987 . 1.35 0.26 1.6267e-01 25176 1 1 1 1 18 ALA HB3 0.987 . 1.35 0.26 1.6267e-01 25176 1 1 1 1 18 ALA N 60.103 A 123.23 3.54 3.9544e-71 25176 1 1 1 1 19 GLY CA 45.618 . 45.35 1.34 8.4148e-01 25176 1 1 1 1 19 GLY H 8.705 . 8.33 0.65 5.6399e-01 25176 1 1 1 1 19 GLY HA2 4.147 . 3.97 0.37 6.3238e-01 25176 1 1 1 1 19 GLY HA3 3.359 . 3.9 0.37 1.4370e-01 25176 1 1 1 1 19 GLY N 22.887 A 109.67 3.87 0.0000e+00 25176 1 1 1 1 20 VAL CA 59.23 . 62.49 2.86 2.5434e-01 25176 1 1 1 1 20 VAL CB 34.473 . 32.73 1.79 3.3018e-01 25176 1 1 1 1 20 VAL CG1 20.07 . 21.49 1.36 2.9643e-01 25176 1 1 1 1 20 VAL CG2 20.07 . 21.26 1.56 4.4557e-01 25176 1 1 1 1 20 VAL H 7.691 . 8.29 0.67 3.7131e-01 25176 1 1 1 1 20 VAL HA 4.476 . 4.19 0.58 6.2194e-01 25176 1 1 1 1 20 VAL HB 1.974 . 1.98 0.32 9.8504e-01 25176 1 1 1 1 20 VAL HG11 0.888 . 0.83 0.26 8.2348e-01 25176 1 1 1 1 20 VAL HG12 0.74 . 0.83 0.26 7.2923e-01 25176 1 1 1 1 20 VAL HG13 0.888 . 0.83 0.26 8.2348e-01 25176 1 1 1 1 20 VAL HG21 0.888 . 0.8 0.28 7.5330e-01 25176 1 1 1 1 20 VAL HG22 0.74 . 0.8 0.28 8.3032e-01 25176 1 1 1 1 20 VAL HG23 0.888 . 0.8 0.28 7.5330e-01 25176 1 1 1 1 20 VAL N 51.022 A 121.14 4.54 8.2171e-54 25176 1 1 1 1 22 ALA CA 50.352 . 53.14 1.98 1.5911e-01 25176 1 1 1 1 22 ALA CB 20.357 . 19.01 1.83 4.6169e-01 25176 1 1 1 1 22 ALA H 8.966 . 8.2 0.6 2.0172e-01 25176 1 1 1 1 22 ALA HA 4.551 . 4.26 0.44 5.0838e-01 25176 1 1 1 1 22 ALA HB1 0.652 . 1.35 0.26 7.2613e-03 25176 1 1 1 1 22 ALA HB2 0.652 . 1.35 0.26 7.2613e-03 25176 1 1 1 1 22 ALA HB3 0.652 . 1.35 0.26 7.2613e-03 25176 1 1 1 1 22 ALA N 67.068 A 123.23 3.54 1.1077e-56 25176 1 1 1 1 23 GLU CA 55.184 . 57.32 2.09 3.0678e-01 25176 1 1 1 1 23 GLU CB 33.923 . 30.01 1.72 2.2906e-02 25176 1 1 1 1 23 GLU CG 36.224 . 36.11 1.19 9.2368e-01 25176 1 1 1 1 23 GLU H 8.317 . 8.33 0.59 9.8242e-01 25176 1 1 1 1 23 GLU HA 5.482 . 4.25 0.41 2.6569e-03 25176 1 1 1 1 23 GLU HB2 1.874 . 2.02 0.21 4.8691e-01 25176 1 1 1 1 23 GLU HB3 1.924 . 1.99 0.23 7.7415e-01 25176 1 1 1 1 23 GLU HG2 1.986 . 2.27 0.21 1.7625e-01 25176 1 1 1 1 23 GLU N 42.469 A 120.67 3.48 0.0000e+00 25176 1 1 1 1 24 PHE CA 57.328 . 58.08 2.57 7.6982e-01 25176 1 1 1 1 24 PHE CB 40.235 . 39.99 2.09 9.0668e-01 25176 1 1 1 1 24 PHE H 8.829 . 8.36 0.72 5.1480e-01 25176 1 1 1 1 24 PHE HA 5.004 . 4.63 0.57 5.1173e-01 25176 1 1 1 1 24 PHE HB2 2.764 . 3 0.37 5.2358e-01 25176 1 1 1 1 24 PHE HB3 2.566 . 2.93 0.4 3.6282e-01 25176 1 1 1 1 24 PHE HD1 6.619 . 7.06 0.31 1.5486e-01 25176 1 1 1 1 24 PHE HD2 6.767 . 7.06 0.31 3.4458e-01 25176 1 1 1 1 24 PHE N 36.475 A 120.45 4.18 0.0000e+00 25176 1 1 1 1 25 SER CA 57.348 . 58.72 2.07 5.0746e-01 25176 1 1 1 1 25 SER CB 66.334 . 63.8 1.48 8.6867e-02 25176 1 1 1 1 25 SER H 8.793 . 8.28 0.59 3.8458e-01 25176 1 1 1 1 25 SER HA 5.392 . 4.48 0.4 2.2608e-02 25176 1 1 1 1 25 SER HB2 3.292 . 3.88 0.25 1.8673e-02 25176 1 1 1 1 25 SER HB3 2.895 S 3.85 0.27 4.0464e-04 25176 1 1 1 1 25 SER N 35.004 A 116.28 3.52 0.0000e+00 25176 1 1 1 1 27 TRP CA 57.91 . 57.66 2.58 9.2281e-01 25176 1 1 1 1 27 TRP CB 30.274 . 30.01 2.01 8.9550e-01 25176 1 1 1 1 27 TRP H 9.53 . 8.29 0.79 1.1650e-01 25176 1 1 1 1 27 TRP HA 4.98 . 4.68 0.53 5.7137e-01 25176 1 1 1 1 27 TRP HB2 3.287 . 3.19 0.35 7.8167e-01 25176 1 1 1 1 27 TRP HB3 3.147 . 3.12 0.36 9.4021e-01 25176 1 1 1 1 27 TRP N 61.296 A 121.68 4.18 2.6593e-47 25176 1 1 1 1 28 THR CA 61.802 . 62.22 2.59 8.7179e-01 25176 1 1 1 1 28 THR CB 69.467 . 69.73 1.63 8.7182e-01 25176 1 1 1 1 28 THR CG2 20.09 . 21.55 1.11 1.8840e-01 25176 1 1 1 1 28 THR H 8.551 . 8.24 0.62 6.1594e-01 25176 1 1 1 1 28 THR HA 4.39 . 4.46 0.48 8.8405e-01 25176 1 1 1 1 28 THR HB 3.818 . 4.17 0.33 2.8612e-01 25176 1 1 1 1 28 THR HG21 0.894 . 1.14 0.23 2.8482e-01 25176 1 1 1 1 28 THR HG22 0.894 . 1.14 0.23 2.8482e-01 25176 1 1 1 1 28 THR HG23 0.894 . 1.14 0.23 2.8482e-01 25176 1 1 1 1 28 THR N 34.389 A 115.42 4.75 2.9883e-65 25176 1 1 1 1 30 GLU CA 57.188 . 57.32 2.09 9.4964e-01 25176 1 1 1 1 30 GLU CB 29.654 . 30.01 1.72 8.3603e-01 25176 1 1 1 1 30 GLU CG 36.13 . 36.11 1.19 9.8659e-01 25176 1 1 1 1 30 GLU H 8.312 . 8.33 0.59 9.7566e-01 25176 1 1 1 1 30 GLU HA 4.22 . 4.25 0.41 9.4167e-01 25176 1 1 1 1 30 GLU HB2 1.835 . 2.02 0.21 3.7834e-01 25176 1 1 1 1 30 GLU HG2 2.156 . 2.27 0.21 5.8723e-01 25176 1 1 1 1 30 GLU N 37.59 A 120.67 3.48 0.0000e+00 25176 1 1 1 1 31 ALA CA 53.226 . 53.14 1.98 9.6536e-01 25176 1 1 1 1 31 ALA CB 20.983 . 19.01 1.83 2.8097e-01 25176 1 1 1 1 31 ALA H 7.615 . 8.2 0.6 3.2956e-01 25176 1 1 1 1 31 ALA HA 3.943 . 4.26 0.44 4.7125e-01 25176 1 1 1 1 31 ALA HB1 0.708 . 1.35 0.26 1.3540e-02 25176 1 1 1 1 31 ALA HB2 0.708 . 1.35 0.26 1.3540e-02 25176 1 1 1 1 31 ALA HB3 0.708 . 1.35 0.26 1.3540e-02 25176 1 1 1 1 31 ALA N 47.762 A 123.23 3.54 0.0000e+00 25176 1 1 1 1 32 GLY CA 44.452 . 45.35 1.34 5.0276e-01 25176 1 1 1 1 32 GLY H 7.657 . 8.33 0.65 3.0049e-01 25176 1 1 1 1 32 GLY HA2 4.15 . 3.97 0.37 6.2662e-01 25176 1 1 1 1 32 GLY HA3 3.72 . 3.9 0.37 6.2662e-01 25176 1 1 1 1 32 GLY N 17.464 A 109.67 3.87 0.0000e+00 25176 1 1 1 1 33 ALA CA 52.675 . 53.14 1.98 8.1433e-01 25176 1 1 1 1 33 ALA CB 19.477 . 19.01 1.83 7.9858e-01 25176 1 1 1 1 33 ALA H 8.229 . 8.2 0.6 9.6145e-01 25176 1 1 1 1 33 ALA HA 4.302 . 4.26 0.44 9.2395e-01 25176 1 1 1 1 33 ALA HB1 1.3 . 1.35 0.26 8.4750e-01 25176 1 1 1 1 33 ALA HB2 1.3 . 1.35 0.26 8.4750e-01 25176 1 1 1 1 33 ALA HB3 1.3 . 1.35 0.26 8.4750e-01 25176 1 1 1 1 33 ALA N 50.066 A 123.23 3.54 0.0000e+00 25176 1 1 1 1 34 GLY CA 45.956 . 45.35 1.34 6.5110e-01 25176 1 1 1 1 34 GLY H 8.09 . 8.33 0.65 7.1196e-01 25176 1 1 1 1 34 GLY HA2 3.699 . 3.97 0.37 4.6390e-01 25176 1 1 1 1 34 GLY HA3 3.564 . 3.9 0.37 3.6382e-01 25176 1 1 1 1 34 GLY N 24.733 A 109.67 3.87 0.0000e+00 25176 1 1 1 1 35 GLY CA 44.614 . 45.35 1.34 5.8283e-01 25176 1 1 1 1 35 GLY H 7.421 . 8.33 0.65 1.6197e-01 25176 1 1 1 1 35 GLY HA2 4.175 . 3.97 0.37 5.7954e-01 25176 1 1 1 1 35 GLY HA3 3.381 . 3.9 0.37 1.6071e-01 25176 1 1 1 1 35 GLY N 17.788 A 109.67 3.87 0.0000e+00 25176 1 1 1 1 36 LEU CA 53.82 . 55.62 2.13 3.9807e-01 25176 1 1 1 1 36 LEU CB 45.594 . 42.31 1.88 8.0671e-02 25176 1 1 1 1 36 LEU CG 26.94 . 26.78 1.1 8.8435e-01 25176 1 1 1 1 36 LEU CD1 25.14 . 24.72 1.59 7.9166e-01 25176 1 1 1 1 36 LEU H 8.22 . 8.23 0.65 9.8773e-01 25176 1 1 1 1 36 LEU HA 5.231 . 4.32 0.47 5.2587e-02 25176 1 1 1 1 36 LEU HB2 1.65 . 1.61 0.34 9.0635e-01 25176 1 1 1 1 36 LEU HB3 1.35 . 1.52 0.36 6.3677e-01 25176 1 1 1 1 36 LEU HG 1.65 . 1.51 0.33 6.7139e-01 25176 1 1 1 1 36 LEU HD11 0.93 . 0.75 0.28 5.2032e-01 25176 1 1 1 1 36 LEU HD12 0.93 . 0.75 0.28 5.2032e-01 25176 1 1 1 1 36 LEU HD13 0.93 . 0.75 0.28 5.2032e-01 25176 1 1 1 1 36 LEU N 53.762 A 121.86 3.9 2.8379e-68 25176 1 1 1 1 37 ALA CA 51.835 . 53.14 1.98 5.0984e-01 25176 1 1 1 1 37 ALA CB 22.24 . 19.01 1.83 7.7559e-02 25176 1 1 1 1 37 ALA H 8.855 . 8.2 0.6 2.7498e-01 25176 1 1 1 1 37 ALA HA 4.613 . 4.26 0.44 4.2240e-01 25176 1 1 1 1 37 ALA HB1 1.163 . 1.35 0.26 4.7200e-01 25176 1 1 1 1 37 ALA HB2 1.163 . 1.35 0.26 4.7200e-01 25176 1 1 1 1 37 ALA HB3 1.163 . 1.35 0.26 4.7200e-01 25176 1 1 1 1 37 ALA N 56.202 A 123.23 3.54 5.9317e-80 25176 1 1 1 1 39 ALA CA 51.256 . 53.14 1.98 3.4134e-01 25176 1 1 1 1 39 ALA CB 22.583 . 19.01 1.83 5.0884e-02 25176 1 1 1 1 39 ALA H 8.672 . 8.2 0.6 4.3148e-01 25176 1 1 1 1 39 ALA HA 4.649 . 4.26 0.44 3.7665e-01 25176 1 1 1 1 39 ALA HB1 1.316 . 1.35 0.26 8.9596e-01 25176 1 1 1 1 39 ALA HB2 1.316 . 1.35 0.26 8.9596e-01 25176 1 1 1 1 39 ALA HB3 1.316 . 1.35 0.26 8.9596e-01 25176 1 1 1 1 39 ALA N 62.569 A 123.23 3.54 8.0137e-66 25176 1 1 1 1 40 VAL CA 61.922 . 62.49 2.86 8.4257e-01 25176 1 1 1 1 40 VAL CB 33.253 . 32.73 1.79 7.7015e-01 25176 1 1 1 1 40 VAL CG1 20.94 . 21.49 1.36 6.8591e-01 25176 1 1 1 1 40 VAL CG2 20.94 . 21.26 1.56 8.3747e-01 25176 1 1 1 1 40 VAL H 8.528 . 8.29 0.67 7.2242e-01 25176 1 1 1 1 40 VAL HA 4.708 . 4.19 0.58 3.7180e-01 25176 1 1 1 1 40 VAL HB 1.578 . 1.98 0.32 2.0903e-01 25176 1 1 1 1 40 VAL HG11 0.433 . 0.83 0.26 1.2678e-01 25176 1 1 1 1 40 VAL HG12 0.287 . 0.83 0.26 3.6756e-02 25176 1 1 1 1 40 VAL HG13 0.433 . 0.83 0.26 1.2678e-01 25176 1 1 1 1 40 VAL HG21 0.433 . 0.8 0.28 1.8995e-01 25176 1 1 1 1 40 VAL HG22 0.287 . 0.8 0.28 6.6930e-02 25176 1 1 1 1 40 VAL HG23 0.433 . 0.8 0.28 1.8995e-01 25176 1 1 1 1 40 VAL N 48.205 A 121.14 4.54 4.4902e-58 25176 1 1 1 1 41 GLU CA 54.802 . 57.32 2.09 2.2829e-01 25176 1 1 1 1 41 GLU CB 33.238 . 30.01 1.72 6.0553e-02 25176 1 1 1 1 41 GLU CG 35.835 . 36.11 1.19 8.1724e-01 25176 1 1 1 1 41 GLU H 8.953 . 8.33 0.59 2.9100e-01 25176 1 1 1 1 41 GLU HA 4.95 . 4.25 0.41 8.7763e-02 25176 1 1 1 1 41 GLU HB2 2.047 . 2.02 0.21 8.9770e-01 25176 1 1 1 1 41 GLU HB3 1.858 . 1.99 0.23 5.6603e-01 25176 1 1 1 1 41 GLU HG2 2.183 . 2.27 0.21 6.7866e-01 25176 1 1 1 1 41 GLU N 58.489 A 120.67 3.48 2.0898e-71 25176 1 1 1 1 42 GLY CA 45.806 . 45.35 1.34 7.3363e-01 25176 1 1 1 1 42 GLY H 8.408 . 8.33 0.65 9.0448e-01 25176 1 1 1 1 42 GLY HA2 3.642 . 3.97 0.37 3.7536e-01 25176 1 1 1 1 42 GLY HA3 4.711 . 3.9 0.37 2.8387e-02 25176 1 1 1 1 42 GLY N 30.977 A 109.67 3.87 0.0000e+00 25176 1 1 1 1 44 SER CA 57.524 . 58.72 2.07 5.6341e-01 25176 1 1 1 1 44 SER CB 66.072 . 63.8 1.48 1.2475e-01 25176 1 1 1 1 44 SER H 7.293 . 8.28 0.59 9.4351e-02 25176 1 1 1 1 44 SER HA 4.705 . 4.48 0.4 5.7378e-01 25176 1 1 1 1 44 SER HB2 3.894 . 3.88 0.25 9.5534e-01 25176 1 1 1 1 44 SER HB3 4.031 . 3.85 0.27 5.0262e-01 25176 1 1 1 1 44 SER N 26.467 A 116.28 3.52 0.0000e+00 25176 1 1 1 1 45 LYS CA 56.803 . 56.95 2.2 9.4673e-01 25176 1 1 1 1 45 LYS CB 33.146 . 32.79 1.78 8.4148e-01 25176 1 1 1 1 45 LYS CG 26.64 . 24.89 1.13 1.2146e-01 25176 1 1 1 1 45 LYS CD 28.8 . 28.96 1.08 8.8223e-01 25176 1 1 1 1 45 LYS CE 41.98 . 41.89 0.82 9.1260e-01 25176 1 1 1 1 45 LYS H 8.537 . 8.19 0.6 5.6304e-01 25176 1 1 1 1 45 LYS HA 4.316 . 4.27 0.44 9.1674e-01 25176 1 1 1 1 45 LYS HB2 1.806 . 1.78 0.25 9.1717e-01 25176 1 1 1 1 45 LYS HG2 1.491 . 1.37 0.26 6.4166e-01 25176 1 1 1 1 45 LYS HD2 1.709 . 1.61 0.22 6.5271e-01 25176 1 1 1 1 45 LYS HD3 1.438 . 1.6 0.22 4.6151e-01 25176 1 1 1 1 45 LYS HE2 3.007 . 2.92 0.19 6.4703e-01 25176 1 1 1 1 45 LYS N 46.783 A 121.05 3.77 2.1789e-86 25176 1 1 1 1 46 ALA CA 50.891 . 53.14 1.98 2.5602e-01 25176 1 1 1 1 46 ALA CB 21.244 . 19.01 1.83 2.2217e-01 25176 1 1 1 1 46 ALA H 8.84 . 8.2 0.6 2.8612e-01 25176 1 1 1 1 46 ALA HA 4.955 . 4.26 0.44 1.1421e-01 25176 1 1 1 1 46 ALA HB1 1.126 . 1.35 0.26 3.8894e-01 25176 1 1 1 1 46 ALA HB2 1.126 . 1.35 0.26 3.8894e-01 25176 1 1 1 1 46 ALA HB3 1.126 . 1.35 0.26 3.8894e-01 25176 1 1 1 1 46 ALA N 58.654 A 123.23 3.54 2.4037e-74 25176 1 1 1 1 47 GLU CA 55.658 . 57.32 2.09 4.2649e-01 25176 1 1 1 1 47 GLU CB 30.695 . 30.01 1.72 6.9044e-01 25176 1 1 1 1 47 GLU CG 35.55 . 36.11 1.19 6.3793e-01 25176 1 1 1 1 47 GLU H 8.315 . 8.33 0.59 9.7972e-01 25176 1 1 1 1 47 GLU HA 4.608 . 4.25 0.41 3.8257e-01 25176 1 1 1 1 47 GLU HB2 1.824 . 2.02 0.21 3.5065e-01 25176 1 1 1 1 47 GLU HB3 1.877 . 1.99 0.23 6.2321e-01 25176 1 1 1 1 47 GLU HG2 2.145 . 2.27 0.21 5.5168e-01 25176 1 1 1 1 47 GLU HG3 2.188 . 2.25 0.22 7.7808e-01 25176 1 1 1 1 47 GLU N 50.587 A 120.67 3.48 0.0000e+00 25176 1 1 1 1 49 SER CA 56.913 . 58.72 2.07 3.8269e-01 25176 1 1 1 1 49 SER CB 65.517 . 63.8 1.48 2.4599e-01 25176 1 1 1 1 49 SER H 9.265 . 8.28 0.59 9.5020e-02 25176 1 1 1 1 49 SER HA 4.712 . 4.48 0.4 5.6191e-01 25176 1 1 1 1 49 SER HB2 4.031 . 3.88 0.25 5.4584e-01 25176 1 1 1 1 49 SER HB3 3.894 . 3.85 0.27 8.7055e-01 25176 1 1 1 1 49 SER N 52.195 A 116.28 3.52 4.6282e-74 25176 1 1 1 1 50 PHE CA 56.689 . 58.08 2.57 5.8834e-01 25176 1 1 1 1 50 PHE CB 42.876 . 39.99 2.09 1.6732e-01 25176 1 1 1 1 50 PHE H 8.432 . 8.36 0.72 9.2034e-01 25176 1 1 1 1 50 PHE HA 5.26 . 4.63 0.57 2.6905e-01 25176 1 1 1 1 50 PHE HB2 2.721 . 3 0.37 4.5082e-01 25176 1 1 1 1 50 PHE HB3 2.887 . 2.93 0.4 9.1439e-01 25176 1 1 1 1 50 PHE HE2 6.876 . 7.08 0.32 5.2380e-01 25176 1 1 1 1 50 PHE N 49.498 A 120.45 4.18 1.2756e-64 25176 1 1 1 1 51 GLU CA 54.714 . 57.32 2.09 2.1244e-01 25176 1 1 1 1 51 GLU CB 33.143 . 30.01 1.72 6.8529e-02 25176 1 1 1 1 51 GLU CG 35.55 . 36.11 1.19 6.3793e-01 25176 1 1 1 1 51 GLU H 8.711 . 8.33 0.59 5.1843e-01 25176 1 1 1 1 51 GLU HA 4.61 . 4.25 0.41 3.7992e-01 25176 1 1 1 1 51 GLU HB2 2.046 . 2.02 0.21 9.0147e-01 25176 1 1 1 1 51 GLU HB3 2.189 . 1.99 0.23 3.8692e-01 25176 1 1 1 1 51 GLU HG2 2.046 . 2.27 0.21 2.8612e-01 25176 1 1 1 1 51 GLU HG3 2.189 . 2.25 0.22 7.8157e-01 25176 1 1 1 1 51 GLU N 52.226 A 120.67 3.48 4.0693e-86 25176 1 1 1 1 52 ASP CA 54.492 . 54.69 2.03 9.2230e-01 25176 1 1 1 1 52 ASP CB 41.145 . 40.88 1.62 8.7006e-01 25176 1 1 1 1 52 ASP H 8.742 . 8.31 0.58 4.5638e-01 25176 1 1 1 1 52 ASP HA 4.513 . 4.59 0.32 8.0985e-01 25176 1 1 1 1 52 ASP HB2 2.736 . 2.72 0.26 9.5093e-01 25176 1 1 1 1 52 ASP HB3 2.543 . 2.66 0.28 6.7605e-01 25176 1 1 1 1 52 ASP N 58.648 A 120.65 3.86 4.6587e-58 25176 1 1 1 1 53 ARG CA 56.897 . 56.77 2.31 9.5616e-01 25176 1 1 1 1 53 ARG CB 30.526 . 30.7 1.83 9.2425e-01 25176 1 1 1 1 53 ARG CG 28.49 . 27.21 1.2 2.8612e-01 25176 1 1 1 1 53 ARG CD 41.82 . 43.16 0.88 1.2783e-01 25176 1 1 1 1 53 ARG H 8.236 . 8.24 0.61 9.9477e-01 25176 1 1 1 1 53 ARG HA 4.185 . 4.3 0.46 8.0259e-01 25176 1 1 1 1 53 ARG HB2 1.696 . 1.79 0.27 7.2773e-01 25176 1 1 1 1 53 ARG HG2 1.302 . 1.57 0.27 3.2091e-01 25176 1 1 1 1 53 ARG HD2 3.417 . 3.12 0.24 2.1590e-01 25176 1 1 1 1 53 ARG N 54.619 A 120.8 3.68 2.6019e-72 25176 1 1 1 1 54 LYS CA 58.4 . 56.95 2.2 5.0984e-01 25176 1 1 1 1 54 LYS CB 30.286 . 32.79 1.78 1.5950e-01 25176 1 1 1 1 54 LYS CG 24.63 . 24.89 1.13 8.1802e-01 25176 1 1 1 1 54 LYS CD 28.47 . 28.96 1.08 6.5004e-01 25176 1 1 1 1 54 LYS CE 42.01 . 41.89 0.82 8.8365e-01 25176 1 1 1 1 54 LYS H 8.365 . 8.19 0.6 7.7054e-01 25176 1 1 1 1 54 LYS HA 4.029 . 4.27 0.44 5.8388e-01 25176 1 1 1 1 54 LYS HB2 1.898 . 1.78 0.25 6.3693e-01 25176 1 1 1 1 54 LYS HB3 1.948 . 1.74 0.27 4.4108e-01 25176 1 1 1 1 54 LYS HG2 1.386 . 1.37 0.26 9.5093e-01 25176 1 1 1 1 54 LYS HG3 1.353 . 1.35 0.28 9.9145e-01 25176 1 1 1 1 54 LYS HD2 1.638 . 1.61 0.22 8.9872e-01 25176 1 1 1 1 54 LYS HD3 1.589 . 1.6 0.22 9.6012e-01 25176 1 1 1 1 54 LYS HE2 2.938 . 2.92 0.19 9.2452e-01 25176 1 1 1 1 54 LYS N 45.71 A 121.05 3.77 7.5764e-89 25176 1 1 1 1 55 ASP CA 53.018 . 54.69 2.03 4.1014e-01 25176 1 1 1 1 55 ASP CB 40.782 . 40.88 1.62 9.5176e-01 25176 1 1 1 1 55 ASP H 7.799 . 8.31 0.58 3.7830e-01 25176 1 1 1 1 55 ASP HA 4.636 . 4.59 0.32 8.8570e-01 25176 1 1 1 1 55 ASP HB2 3.096 . 2.72 0.26 1.4813e-01 25176 1 1 1 1 55 ASP HB3 2.489 . 2.66 0.28 5.4139e-01 25176 1 1 1 1 55 ASP N 39.765 A 120.65 3.86 0.0000e+00 25176 1 1 1 1 56 GLY CA 45.434 . 45.35 1.34 9.5002e-01 25176 1 1 1 1 56 GLY H 8.347 . 8.33 0.65 9.7913e-01 25176 1 1 1 1 56 GLY HA2 4.307 . 3.97 0.37 3.6240e-01 25176 1 1 1 1 56 GLY HA3 4.708 . 3.9 0.37 2.8978e-02 25176 1 1 1 1 56 GLY N 23.409 A 109.67 3.87 0.0000e+00 25176 1 1 1 1 57 SER CA 57.361 . 58.72 2.07 5.1149e-01 25176 1 1 1 1 57 SER CB 66.721 . 63.8 1.48 4.8422e-02 25176 1 1 1 1 57 SER H 8.236 . 8.28 0.59 9.4055e-01 25176 1 1 1 1 57 SER HA 4.395 . 4.48 0.4 8.3172e-01 25176 1 1 1 1 57 SER HB2 3.776 . 3.88 0.25 6.7741e-01 25176 1 1 1 1 57 SER HB3 3.834 . 3.85 0.27 9.5275e-01 25176 1 1 1 1 57 SER N 40.264 A 116.28 3.52 0.0000e+00 25176 1 1 1 1 58 CYS CA 57.116 . 58.3 3.33 7.2217e-01 25176 1 1 1 1 58 CYS CB 30.041 . 32.49 6.01 6.8365e-01 25176 1 1 1 1 58 CYS H 8.764 . 8.39 0.67 5.7670e-01 25176 1 1 1 1 58 CYS HA 4.549 . 4.66 0.55 8.4006e-01 25176 1 1 1 1 58 CYS HB2 3.046 . 2.96 0.44 8.4504e-01 25176 1 1 1 1 58 CYS N 41.57 A 120.17 4.64 2.2947e-64 25176 1 1 1 1 59 GLY CA 45.219 . 45.35 1.34 9.2212e-01 25176 1 1 1 1 59 GLY H 9.092 . 8.33 0.65 2.4107e-01 25176 1 1 1 1 59 GLY HA2 4.44 . 3.97 0.37 2.0399e-01 25176 1 1 1 1 59 GLY HA3 3.347 . 3.9 0.37 1.3502e-01 25176 1 1 1 1 59 GLY N 32.305 A 109.67 3.87 6.6019e-89 25176 1 1 1 1 60 VAL CA 60.463 . 62.49 2.86 4.7849e-01 25176 1 1 1 1 60 VAL CB 33.315 . 32.73 1.79 7.4381e-01 25176 1 1 1 1 60 VAL CG1 20.01 . 21.49 1.36 2.7649e-01 25176 1 1 1 1 60 VAL CG2 20.01 . 21.26 1.56 4.2297e-01 25176 1 1 1 1 60 VAL H 8.402 . 8.29 0.67 8.6724e-01 25176 1 1 1 1 60 VAL HA 4.706 . 4.19 0.58 3.7365e-01 25176 1 1 1 1 60 VAL HB 1.88 . 1.98 0.32 7.5466e-01 25176 1 1 1 1 60 VAL HG11 0.571 . 0.83 0.26 3.1918e-01 25176 1 1 1 1 60 VAL HG12 0.357 . 0.83 0.26 6.8876e-02 25176 1 1 1 1 60 VAL HG13 0.571 . 0.83 0.26 3.1918e-01 25176 1 1 1 1 60 VAL HG21 0.571 . 0.8 0.28 4.1344e-01 25176 1 1 1 1 60 VAL HG22 0.357 . 0.8 0.28 1.1362e-01 25176 1 1 1 1 60 VAL HG23 0.571 . 0.8 0.28 4.1344e-01 25176 1 1 1 1 60 VAL N 54.21 A 121.14 4.54 3.4488e-49 25176 1 1 1 1 61 ALA CA 50.333 . 53.14 1.98 1.5628e-01 25176 1 1 1 1 61 ALA CB 22.075 . 19.01 1.83 9.3961e-02 25176 1 1 1 1 61 ALA H 8.398 . 8.2 0.6 7.4140e-01 25176 1 1 1 1 61 ALA HA 4.607 . 4.26 0.44 4.3032e-01 25176 1 1 1 1 61 ALA HB1 1.329 . 1.35 0.26 9.3563e-01 25176 1 1 1 1 61 ALA HB2 1.329 . 1.35 0.26 9.3563e-01 25176 1 1 1 1 61 ALA HB3 1.329 . 1.35 0.26 9.3563e-01 25176 1 1 1 1 61 ALA N 60.103 A 123.23 3.54 3.9544e-71 25176 1 1 1 1 62 TYR CA 54.998 . 58.13 2.51 2.1210e-01 25176 1 1 1 1 62 TYR CB 43.326 . 39.32 2.16 6.3649e-02 25176 1 1 1 1 62 TYR H 8.846 . 8.32 0.73 4.7119e-01 25176 1 1 1 1 62 TYR HA 5.88 . 4.63 0.56 2.5606e-02 25176 1 1 1 1 62 TYR HB2 2.612 . 2.91 0.37 4.2059e-01 25176 1 1 1 1 62 TYR HB3 2.501 . 2.84 0.39 3.8472e-01 25176 1 1 1 1 62 TYR HD1 6.424 . 6.93 0.3 9.1667e-02 25176 1 1 1 1 62 TYR N 41.143 A 120.52 4.2 1.1561e-79 25176 1 1 1 1 63 VAL CA 60.728 . 62.49 2.86 5.3784e-01 25176 1 1 1 1 63 VAL CB 35.441 . 32.73 1.79 1.2989e-01 25176 1 1 1 1 63 VAL CG2 20.71 . 21.26 1.56 7.2442e-01 25176 1 1 1 1 63 VAL H 8.299 . 8.29 0.67 9.8928e-01 25176 1 1 1 1 63 VAL HA 4.286 . 4.19 0.58 8.6854e-01 25176 1 1 1 1 63 VAL HB 1.68 . 1.98 0.32 3.4850e-01 25176 1 1 1 1 63 VAL HG21 0.613 . 0.8 0.28 5.0422e-01 25176 1 1 1 1 63 VAL HG22 0.613 . 0.8 0.28 5.0422e-01 25176 1 1 1 1 63 VAL HG23 0.613 . 0.8 0.28 5.0422e-01 25176 1 1 1 1 63 VAL N 41.088 A 121.14 4.54 1.3845e-69 25176 1 1 1 1 64 VAL CA 58.848 . 62.49 2.86 2.0287e-01 25176 1 1 1 1 64 VAL CB 33.766 . 32.73 1.79 5.6274e-01 25176 1 1 1 1 64 VAL CG1 18.18 . 21.49 1.36 1.4940e-02 25176 1 1 1 1 64 VAL CG2 20.94 . 21.26 1.56 8.3747e-01 25176 1 1 1 1 64 VAL H 8.691 . 8.29 0.67 5.4950e-01 25176 1 1 1 1 64 VAL HA 4.717 . 4.19 0.58 3.6355e-01 25176 1 1 1 1 64 VAL HB 1.875 . 1.98 0.32 7.4282e-01 25176 1 1 1 1 64 VAL HG11 0.177 . 0.83 0.26 1.2021e-02 25176 1 1 1 1 64 VAL HG12 0.177 . 0.83 0.26 1.2021e-02 25176 1 1 1 1 64 VAL HG13 0.177 . 0.83 0.26 1.2021e-02 25176 1 1 1 1 64 VAL HG21 0.428 . 0.8 0.28 1.8399e-01 25176 1 1 1 1 64 VAL HG22 0.428 . 0.8 0.28 1.8399e-01 25176 1 1 1 1 64 VAL HG23 0.428 . 0.8 0.28 1.8399e-01 25176 1 1 1 1 64 VAL N 47.906 A 121.14 4.54 1.5491e-58 25176 1 1 1 1 65 GLN CA 56.884 . 56.57 2.14 8.8335e-01 25176 1 1 1 1 65 GLN CB 30.408 . 29.19 1.82 5.0335e-01 25176 1 1 1 1 65 GLN CG 32.8 . 33.76 1.11 3.8711e-01 25176 1 1 1 1 65 GLN H 8.088 . 8.22 0.59 8.2297e-01 25176 1 1 1 1 65 GLN HA 4.21 . 4.27 0.44 8.9153e-01 25176 1 1 1 1 65 GLN HB2 2.207 . 2.05 0.25 5.3000e-01 25176 1 1 1 1 65 GLN HB3 1.835 . 2.02 0.28 5.0880e-01 25176 1 1 1 1 65 GLN HG2 2.394 . 2.32 0.27 7.8403e-01 25176 1 1 1 1 65 GLN HG3 1.603 . 2.29 0.29 1.7838e-02 25176 1 1 1 1 65 GLN N 41.201 A 119.89 3.6 0.0000e+00 25176 1 1 1 1 66 GLU CA 52.502 . 57.32 2.09 2.1152e-02 25176 1 1 1 1 66 GLU CB 31.757 . 30.01 1.72 3.0977e-01 25176 1 1 1 1 66 GLU CG 34.81 . 36.11 1.19 2.7464e-01 25176 1 1 1 1 66 GLU H 7.078 . 8.33 0.59 3.3835e-02 25176 1 1 1 1 66 GLU HA 4.982 . 4.25 0.41 7.4202e-02 25176 1 1 1 1 66 GLU HB2 1.515 . 2.02 0.21 1.6183e-02 25176 1 1 1 1 66 GLU HB3 2.008 . 1.99 0.23 9.3762e-01 25176 1 1 1 1 66 GLU HG2 2.157 . 2.27 0.21 5.9051e-01 25176 1 1 1 1 66 GLU HG3 2.315 . 2.25 0.22 7.6765e-01 25176 1 1 1 1 66 GLU N 37.063 A 120.67 3.48 0.0000e+00 25176 1 1 1 1 68 GLY CA 44.538 . 45.35 1.34 5.4453e-01 25176 1 1 1 1 68 GLY H 8.703 . 8.33 0.65 5.6607e-01 25176 1 1 1 1 68 GLY HA2 4.229 . 3.97 0.37 4.8393e-01 25176 1 1 1 1 68 GLY HA3 3.78 . 3.9 0.37 7.4569e-01 25176 1 1 1 1 68 GLY N 19.322 A 109.67 3.87 0.0000e+00 25176 1 1 1 1 69 ASP CA 54.237 . 54.69 2.03 8.2342e-01 25176 1 1 1 1 69 ASP CB 41.665 . 40.88 1.62 6.2798e-01 25176 1 1 1 1 69 ASP H 8.173 . 8.31 0.58 8.1327e-01 25176 1 1 1 1 69 ASP HA 5.321 . 4.59 0.32 2.2350e-02 25176 1 1 1 1 69 ASP HB2 2.333 . 2.72 0.26 1.3663e-01 25176 1 1 1 1 69 ASP HB3 2.212 . 2.66 0.28 1.0960e-01 25176 1 1 1 1 69 ASP N 46.075 A 120.65 3.86 3.6502e-83 25176 1 1 1 1 70 TYR CA 56.623 . 58.13 2.51 5.4824e-01 25176 1 1 1 1 70 TYR CB 40.516 . 39.32 2.16 5.7978e-01 25176 1 1 1 1 70 TYR H 8.787 . 8.32 0.73 5.2235e-01 25176 1 1 1 1 70 TYR HA 4.953 . 4.63 0.56 5.6408e-01 25176 1 1 1 1 70 TYR HB2 2.765 . 2.91 0.37 6.9514e-01 25176 1 1 1 1 70 TYR HB3 2.354 . 2.84 0.39 2.1271e-01 25176 1 1 1 1 70 TYR HD1 6.697 . 6.93 0.3 4.3736e-01 25176 1 1 1 1 70 TYR HD2 6.835 . 6.93 0.3 7.5150e-01 25176 1 1 1 1 70 TYR HE2 7.051 . 6.71 0.23 1.3818e-01 25176 1 1 1 1 70 TYR N 50.288 A 120.52 4.2 9.0771e-63 25176 1 1 1 1 71 GLU CA 55.019 . 57.32 2.09 2.7092e-01 25176 1 1 1 1 71 GLU CB 32.426 . 30.01 1.72 1.6012e-01 25176 1 1 1 1 71 GLU CG 37.53 . 36.11 1.19 2.3276e-01 25176 1 1 1 1 71 GLU H 9.082 . 8.33 0.59 2.0246e-01 25176 1 1 1 1 71 GLU HA 5.111 . 4.25 0.41 3.5729e-02 25176 1 1 1 1 71 GLU HB2 1.781 . 2.02 0.21 2.5508e-01 25176 1 1 1 1 71 GLU HG2 2.082 . 2.27 0.21 3.7066e-01 25176 1 1 1 1 71 GLU HG3 1.853 . 2.25 0.22 7.1146e-02 25176 1 1 1 1 71 GLU N 46.477 A 120.67 3.48 0.0000e+00 25176 1 1 1 1 72 VAL CA 61.583 . 62.49 2.86 7.5114e-01 25176 1 1 1 1 72 VAL CB 32.701 . 32.73 1.79 9.8707e-01 25176 1 1 1 1 72 VAL CG1 22.12 . 21.49 1.36 6.4320e-01 25176 1 1 1 1 72 VAL CG2 20.07 . 21.26 1.56 4.4557e-01 25176 1 1 1 1 72 VAL H 9.808 . 8.29 0.67 2.3471e-02 25176 1 1 1 1 72 VAL HA 4.565 . 4.19 0.58 5.1792e-01 25176 1 1 1 1 72 VAL HB 1.968 . 1.98 0.32 9.7009e-01 25176 1 1 1 1 72 VAL HG11 0.903 . 0.83 0.26 7.7889e-01 25176 1 1 1 1 72 VAL HG12 0.903 . 0.83 0.26 7.7889e-01 25176 1 1 1 1 72 VAL HG13 0.903 . 0.83 0.26 7.7889e-01 25176 1 1 1 1 72 VAL HG21 0.946 . 0.8 0.28 6.0207e-01 25176 1 1 1 1 72 VAL HG22 0.946 . 0.8 0.28 6.0207e-01 25176 1 1 1 1 72 VAL HG23 0.946 . 0.8 0.28 6.0207e-01 25176 1 1 1 1 72 VAL N 66.603 A 121.14 4.54 3.0527e-33 25176 1 1 1 1 73 SER CA 57.514 . 58.72 2.07 5.6016e-01 25176 1 1 1 1 73 SER CB 65.208 . 63.8 1.48 3.4143e-01 25176 1 1 1 1 73 SER H 9.478 . 8.28 0.59 4.2305e-02 25176 1 1 1 1 73 SER HA 5.095 . 4.48 0.4 1.2417e-01 25176 1 1 1 1 73 SER HB2 3.622 . 3.88 0.25 3.0207e-01 25176 1 1 1 1 73 SER HB3 3.772 . 3.85 0.27 7.7267e-01 25176 1 1 1 1 73 SER N 50.885 A 116.28 3.52 4.8309e-77 25176 1 1 1 1 74 VAL CA 61.878 . 62.49 2.86 8.3056e-01 25176 1 1 1 1 74 VAL CB 33.88 . 32.73 1.79 5.2058e-01 25176 1 1 1 1 74 VAL CG1 20.49 . 21.49 1.36 4.6216e-01 25176 1 1 1 1 74 VAL CG2 20.49 . 21.26 1.56 6.2160e-01 25176 1 1 1 1 74 VAL H 9.38 . 8.29 0.67 1.0377e-01 25176 1 1 1 1 74 VAL HA 4.006 . 4.19 0.58 7.5106e-01 25176 1 1 1 1 74 VAL HB 1.964 . 1.98 0.32 9.6012e-01 25176 1 1 1 1 74 VAL HG11 0.875 . 0.83 0.26 8.6259e-01 25176 1 1 1 1 74 VAL HG12 0.875 . 0.83 0.26 8.6259e-01 25176 1 1 1 1 74 VAL HG13 0.875 . 0.83 0.26 8.6259e-01 25176 1 1 1 1 74 VAL HG21 0.8 . 0.8 0.28 1.0000e+00 25176 1 1 1 1 74 VAL HG22 0.8 . 0.8 0.28 1.0000e+00 25176 1 1 1 1 74 VAL HG23 0.8 . 0.8 0.28 1.0000e+00 25176 1 1 1 1 74 VAL N 54.869 A 121.14 4.54 2.9289e-48 25176 1 1 1 1 75 LYS CA 54.26 . 56.95 2.2 2.2143e-01 25176 1 1 1 1 75 LYS CB 36.776 . 32.79 1.78 2.5135e-02 25176 1 1 1 1 75 LYS CG 32.61 S 24.89 1.13 8.3822e-12 25176 1 1 1 1 75 LYS CE 40.81 . 41.89 0.82 1.8781e-01 25176 1 1 1 1 75 LYS H 8.736 . 8.19 0.6 3.6282e-01 25176 1 1 1 1 75 LYS HA 4.836 . 4.27 0.44 1.9832e-01 25176 1 1 1 1 75 LYS HB2 2.055 . 1.78 0.25 2.7133e-01 25176 1 1 1 1 75 LYS HG2 1.727 . 1.37 0.26 1.6973e-01 25176 1 1 1 1 75 LYS HG3 1.645 . 1.35 0.28 2.9208e-01 25176 1 1 1 1 75 LYS HE2 2.521 . 2.92 0.19 3.5729e-02 25176 1 1 1 1 75 LYS HE3 2.728 . 2.91 0.2 3.6282e-01 25176 1 1 1 1 75 LYS N 51.585 A 121.05 3.77 8.1682e-76 25176 1 1 1 1 76 PHE CA 56.174 . 58.08 2.57 4.5831e-01 25176 1 1 1 1 76 PHE CB 43.072 . 39.99 2.09 1.4031e-01 25176 1 1 1 1 76 PHE H 9.079 . 8.36 0.72 3.1798e-01 25176 1 1 1 1 76 PHE HA 5.199 . 4.63 0.57 3.1816e-01 25176 1 1 1 1 76 PHE HB2 2.803 . 3 0.37 5.9443e-01 25176 1 1 1 1 76 PHE HB3 2.454 . 2.93 0.4 2.3405e-01 25176 1 1 1 1 76 PHE HD1 6.663 . 7.06 0.31 2.0032e-01 25176 1 1 1 1 76 PHE HZ 7.65 . 7 0.42 1.2171e-01 25176 1 1 1 1 76 PHE N 49.725 A 120.45 4.18 3.2121e-64 25176 1 1 1 1 77 ASN CA 54.558 . 53.54 1.88 5.8817e-01 25176 1 1 1 1 77 ASN CB 36.73 . 38.69 1.69 2.4615e-01 25176 1 1 1 1 77 ASN H 8.961 . 8.34 0.63 3.2427e-01 25176 1 1 1 1 77 ASN HA 4.215 . 4.67 0.36 2.0627e-01 25176 1 1 1 1 77 ASN HB2 2.928 . 2.81 0.31 7.0347e-01 25176 1 1 1 1 77 ASN HB3 2.651 . 2.75 0.33 7.6418e-01 25176 1 1 1 1 77 ASN N 60.814 A 118.93 4.03 3.8264e-47 25176 1 1 1 1 78 GLU CA 58.317 . 57.32 2.09 6.3334e-01 25176 1 1 1 1 78 GLU CB 27.184 . 30.01 1.72 1.0038e-01 25176 1 1 1 1 78 GLU CG 36.18 . 36.11 1.19 9.5309e-01 25176 1 1 1 1 78 GLU H 8.866 . 8.33 0.59 3.6363e-01 25176 1 1 1 1 78 GLU HA 3.42 . 4.25 0.41 4.2930e-02 25176 1 1 1 1 78 GLU HB2 2.259 . 2.02 0.21 2.5508e-01 25176 1 1 1 1 78 GLU HG2 2.082 . 2.27 0.21 3.7066e-01 25176 1 1 1 1 78 GLU HG3 1.925 . 2.25 0.22 1.3960e-01 25176 1 1 1 1 78 GLU N 17.843 A 120.67 3.48 0.0000e+00 25176 1 1 1 1 79 GLU CA 54.615 . 57.32 2.09 1.9558e-01 25176 1 1 1 1 79 GLU CB 32.516 . 30.01 1.72 1.4512e-01 25176 1 1 1 1 79 GLU CG 36 . 36.11 1.19 9.2635e-01 25176 1 1 1 1 79 GLU H 7.488 . 8.33 0.59 1.5355e-01 25176 1 1 1 1 79 GLU HA 4.679 . 4.25 0.41 2.9540e-01 25176 1 1 1 1 79 GLU HB2 1.919 . 2.02 0.21 6.3055e-01 25176 1 1 1 1 79 GLU HB3 2.042 . 1.99 0.23 8.2113e-01 25176 1 1 1 1 79 GLU HG2 2.214 . 2.27 0.21 7.8973e-01 25176 1 1 1 1 79 GLU HG3 2.351 . 2.25 0.22 6.4617e-01 25176 1 1 1 1 79 GLU N 45.322 A 120.67 3.48 0.0000e+00 25176 1 1 1 1 80 HIS CA 59.041 . 56.52 2.31 2.7512e-01 25176 1 1 1 1 80 HIS CB 32.413 . 30.24 2.07 2.9383e-01 25176 1 1 1 1 80 HIS H 8.736 . 8.24 0.68 4.6575e-01 25176 1 1 1 1 80 HIS HA 4.433 . 4.61 0.43 6.8061e-01 25176 1 1 1 1 80 HIS HB2 3.151 . 3.1 0.36 8.8734e-01 25176 1 1 1 1 80 HIS HB3 2.857 . 3.04 0.38 6.3010e-01 25176 1 1 1 1 80 HIS HD2 6.93 . 7 0.43 8.7068e-01 25176 1 1 1 1 80 HIS HE2 7.103 . 9.64 2.6 3.2918e-01 25176 1 1 1 1 80 HIS N 51.585 A 119.69 4 5.2460e-65 25176 1 1 1 1 83 ASP CA 57.13 . 54.69 2.03 2.2937e-01 25176 1 1 1 1 83 ASP CB 39.87 . 40.88 1.62 5.3298e-01 25176 1 1 1 1 83 ASP H 7.927 . 8.31 0.58 5.0903e-01 25176 1 1 1 1 83 ASP HA 3.792 . 4.59 0.32 1.2640e-02 25176 1 1 1 1 83 ASP HB2 3.256 . 2.72 0.26 3.9252e-02 25176 1 1 1 1 83 ASP HB3 2.503 . 2.66 0.28 5.7499e-01 25176 1 1 1 1 83 ASP N 35.399 A 120.65 3.86 0.0000e+00 25176 1 1 1 1 84 SER CA 55.003 . 58.72 2.07 7.2550e-02 25176 1 1 1 1 84 SER CB 63.084 . 63.8 1.48 6.2854e-01 25176 1 1 1 1 84 SER H 7.398 . 8.28 0.59 1.3494e-01 25176 1 1 1 1 84 SER HA 4.064 . 4.48 0.4 2.9834e-01 25176 1 1 1 1 84 SER HB2 3.65 . 3.88 0.25 3.5757e-01 25176 1 1 1 1 84 SER HB3 4.35 . 3.85 0.27 6.4047e-02 25176 1 1 1 1 84 SER N 29.279 A 116.28 3.52 0.0000e+00 25176 1 1 1 1 86 PHE CA 56.819 . 58.08 2.57 6.2367e-01 25176 1 1 1 1 86 PHE CB 40.375 . 39.99 2.09 8.5385e-01 25176 1 1 1 1 86 PHE CE2 51.05 A 130.76 1.13 0.0000e+00 25176 1 1 1 1 86 PHE H 9.243 . 8.36 0.72 2.2005e-01 25176 1 1 1 1 86 PHE HA 4.562 . 4.63 0.57 9.0504e-01 25176 1 1 1 1 86 PHE HB2 2.976 . 3 0.37 9.4828e-01 25176 1 1 1 1 86 PHE HB3 2.859 . 2.93 0.4 8.5912e-01 25176 1 1 1 1 86 PHE HD1 7.156 . 7.06 0.31 7.5681e-01 25176 1 1 1 1 86 PHE HD2 7.336 . 7.06 0.31 3.7329e-01 25176 1 1 1 1 86 PHE HE2 7.696 . 7.08 0.32 5.4229e-02 25176 1 1 1 1 86 PHE N 48.967 A 120.45 4.18 1.4539e-65 25176 1 1 1 1 87 VAL CA 62.832 . 62.49 2.86 9.0482e-01 25176 1 1 1 1 87 VAL CB 31.447 . 32.73 1.79 4.7352e-01 25176 1 1 1 1 87 VAL CG1 20.5 . 21.49 1.36 4.6665e-01 25176 1 1 1 1 87 VAL CG2 21.04 . 21.26 1.56 8.8785e-01 25176 1 1 1 1 87 VAL H 8.785 . 8.29 0.67 4.6003e-01 25176 1 1 1 1 87 VAL HA 4.647 . 4.19 0.58 4.3074e-01 25176 1 1 1 1 87 VAL HB 1.965 . 1.98 0.32 9.6261e-01 25176 1 1 1 1 87 VAL HG11 0.749 . 0.83 0.26 7.5539e-01 25176 1 1 1 1 87 VAL HG12 0.749 . 0.83 0.26 7.5539e-01 25176 1 1 1 1 87 VAL HG13 0.749 . 0.83 0.26 7.5539e-01 25176 1 1 1 1 87 VAL HG21 0.86 . 0.8 0.28 8.3032e-01 25176 1 1 1 1 87 VAL HG22 0.86 . 0.8 0.28 8.3032e-01 25176 1 1 1 1 87 VAL HG23 0.86 . 0.8 0.28 8.3032e-01 25176 1 1 1 1 87 VAL N 55.133 A 121.14 4.54 6.8601e-48 25176 1 1 1 1 88 VAL CA 59.722 . 62.49 2.86 3.3313e-01 25176 1 1 1 1 88 VAL CB 35.358 . 32.73 1.79 1.4206e-01 25176 1 1 1 1 88 VAL CG1 19.23 . 21.49 1.36 9.6560e-02 25176 1 1 1 1 88 VAL CG2 20.11 . 21.26 1.56 4.6101e-01 25176 1 1 1 1 88 VAL H 9.45 . 8.29 0.67 8.3391e-02 25176 1 1 1 1 88 VAL HA 4.423 . 4.19 0.58 6.8789e-01 25176 1 1 1 1 88 VAL HB 1.806 . 1.98 0.32 5.8661e-01 25176 1 1 1 1 88 VAL HG11 0.528 . 0.83 0.26 2.4542e-01 25176 1 1 1 1 88 VAL HG12 0.528 . 0.83 0.26 2.4542e-01 25176 1 1 1 1 88 VAL HG13 0.528 . 0.83 0.26 2.4542e-01 25176 1 1 1 1 88 VAL HG21 0.667 . 0.8 0.28 6.3479e-01 25176 1 1 1 1 88 VAL HG22 0.667 . 0.8 0.28 6.3479e-01 25176 1 1 1 1 88 VAL HG23 0.667 . 0.8 0.28 6.3479e-01 25176 1 1 1 1 88 VAL N 68.795 A 121.14 4.54 9.3430e-31 25176 1 1 1 1 90 VAL CA 62.208 . 62.49 2.86 9.2146e-01 25176 1 1 1 1 90 VAL CB 31.845 . 32.73 1.79 6.2101e-01 25176 1 1 1 1 90 VAL CG1 21.02 . 21.49 1.36 7.2965e-01 25176 1 1 1 1 90 VAL CG2 21.07 . 21.26 1.56 9.0306e-01 25176 1 1 1 1 90 VAL H 9.146 . 8.29 0.67 2.0139e-01 25176 1 1 1 1 90 VAL HA 4.39 . 4.19 0.58 7.3022e-01 25176 1 1 1 1 90 VAL HB 2.379 . 1.98 0.32 2.1244e-01 25176 1 1 1 1 90 VAL HG11 0.491 . 0.83 0.26 1.9229e-01 25176 1 1 1 1 90 VAL HG12 0.491 . 0.83 0.26 1.9229e-01 25176 1 1 1 1 90 VAL HG13 0.491 . 0.83 0.26 1.9229e-01 25176 1 1 1 1 90 VAL HG21 0.705 . 0.8 0.28 7.3439e-01 25176 1 1 1 1 90 VAL HG22 0.705 . 0.8 0.28 7.3439e-01 25176 1 1 1 1 90 VAL HG23 0.705 . 0.8 0.28 7.3439e-01 25176 1 1 1 1 90 VAL N 57.869 A 121.14 4.54 3.8096e-44 25176 1 1 1 1 91 ALA CA 51.247 . 53.14 1.98 3.3904e-01 25176 1 1 1 1 91 ALA CB 21.749 . 19.01 1.83 1.3447e-01 25176 1 1 1 1 91 ALA H 8.533 . 8.2 0.6 5.7889e-01 25176 1 1 1 1 91 ALA HA 4.636 . 4.26 0.44 3.9280e-01 25176 1 1 1 1 91 ALA HB1 1.512 . 1.35 0.26 5.3323e-01 25176 1 1 1 1 91 ALA HB2 1.512 . 1.35 0.26 5.3323e-01 25176 1 1 1 1 91 ALA HB3 1.512 . 1.35 0.26 5.3323e-01 25176 1 1 1 1 91 ALA N 67.766 A 123.23 3.54 2.5114e-55 25176 1 1 1 1 92 SER CA 57.602 . 58.72 2.07 5.8913e-01 25176 1 1 1 1 92 SER CB 62.99 . 63.8 1.48 5.8417e-01 25176 1 1 1 1 92 SER H 8.628 . 8.28 0.59 5.5530e-01 25176 1 1 1 1 92 SER HA 4.542 . 4.48 0.4 8.7682e-01 25176 1 1 1 1 92 SER HB2 3.873 . 3.88 0.25 9.7766e-01 25176 1 1 1 1 92 SER HB3 3.765 . 3.85 0.27 7.5290e-01 25176 1 1 1 1 92 SER N 37.84 A 116.28 3.52 0.0000e+00 25176 1 1 1 1 94 SER CA 58.839 . 58.72 2.07 9.5416e-01 25176 1 1 1 1 94 SER CB 64.226 . 63.8 1.48 7.7347e-01 25176 1 1 1 1 94 SER H 8.489 . 8.28 0.59 7.2316e-01 25176 1 1 1 1 94 SER HA 4.433 . 4.48 0.4 9.0646e-01 25176 1 1 1 1 94 SER HB2 3.838 . 3.88 0.25 8.6658e-01 25176 1 1 1 1 94 SER HB3 3.808 . 3.85 0.27 8.7638e-01 25176 1 1 1 1 94 SER N 39.932 A 116.28 3.52 0.0000e+00 25176 1 1 1 1 95 GLY CA 46.32 . 45.35 1.34 4.6914e-01 25176 1 1 1 1 95 GLY H 7.915 . 8.33 0.65 5.2317e-01 25176 1 1 1 1 95 GLY HA2 4.345 . 3.97 0.37 3.1082e-01 25176 1 1 1 1 95 GLY HA3 4.708 . 3.9 0.37 2.8978e-02 25176 1 1 1 1 95 GLY N 39.482 A 109.67 3.87 1.6436e-73 25176 1 1 1 3 1 LYS CA 56.906 . 56.95 2.2 9.8404e-01 25176 1 1 1 3 1 LYS CB 33.529 . 32.79 1.78 6.7802e-01 25176 1 1 1 3 1 LYS CG 28.7 S 24.89 1.13 7.4711e-04 25176 1 1 1 3 1 LYS CD 28.59 . 28.96 1.08 7.3190e-01 25176 1 1 1 3 1 LYS CE 41.73 . 41.89 0.82 8.4530e-01 25176 1 1 1 3 1 LYS H 8.259 . 8.19 0.6 9.0845e-01 25176 1 1 1 3 1 LYS HA 4.081 . 4.27 0.44 6.6753e-01 25176 1 1 1 3 1 LYS HB2 1.611 . 1.78 0.25 4.9904e-01 25176 1 1 1 3 1 LYS HB3 1.683 . 1.74 0.27 8.3280e-01 25176 1 1 1 3 1 LYS HG2 1.611 . 1.37 0.26 3.5397e-01 25176 1 1 1 3 1 LYS HD2 1.522 . 1.61 0.22 6.8916e-01 25176 1 1 1 3 1 LYS HE2 2.821 . 2.92 0.19 6.0233e-01 25176 1 1 1 3 1 LYS N 53.663 A 121.05 3.77 1.8622e-71 25176 1 1 1 3 2 LYS CA 56.737 . 56.95 2.2 9.2287e-01 25176 1 1 1 3 2 LYS CB 33.529 . 32.79 1.78 6.7802e-01 25176 1 1 1 3 2 LYS CG 28.7 S 24.89 1.13 7.4711e-04 25176 1 1 1 3 2 LYS CD 28.59 . 28.96 1.08 7.3190e-01 25176 1 1 1 3 2 LYS CE 41.73 . 41.89 0.82 8.4530e-01 25176 1 1 1 3 2 LYS H 8.255 . 8.19 0.6 9.1373e-01 25176 1 1 1 3 2 LYS HA 4.081 . 4.27 0.44 6.6753e-01 25176 1 1 1 3 2 LYS HB2 1.611 . 1.78 0.25 4.9904e-01 25176 1 1 1 3 2 LYS HB3 1.683 . 1.74 0.27 8.3280e-01 25176 1 1 1 3 2 LYS HG2 1.611 . 1.37 0.26 3.5397e-01 25176 1 1 1 3 2 LYS HD2 1.522 . 1.61 0.22 6.8916e-01 25176 1 1 1 3 2 LYS HE2 2.821 . 2.92 0.19 6.0233e-01 25176 1 1 1 3 2 LYS N 53.775 A 121.05 3.77 3.1708e-71 25176 1 1 1 3 3 LYS CA 56.748 . 56.95 2.2 9.2684e-01 25176 1 1 1 3 3 LYS CB 33.488 . 32.79 1.78 6.9496e-01 25176 1 1 1 3 3 LYS CG 28.7 S 24.89 1.13 7.4711e-04 25176 1 1 1 3 3 LYS CD 28.59 . 28.96 1.08 7.3190e-01 25176 1 1 1 3 3 LYS CE 41.73 . 41.89 0.82 8.4530e-01 25176 1 1 1 3 3 LYS H 8.292 . 8.19 0.6 8.6501e-01 25176 1 1 1 3 3 LYS HA 4.081 . 4.27 0.44 6.6753e-01 25176 1 1 1 3 3 LYS HB2 1.611 . 1.78 0.25 4.9904e-01 25176 1 1 1 3 3 LYS HB3 1.683 . 1.74 0.27 8.3280e-01 25176 1 1 1 3 3 LYS HG2 1.611 . 1.37 0.26 3.5397e-01 25176 1 1 1 3 3 LYS HD2 1.522 . 1.61 0.22 6.8916e-01 25176 1 1 1 3 3 LYS HE2 2.821 . 2.92 0.19 6.0233e-01 25176 1 1 1 3 3 LYS N 56.291 A 121.05 3.77 3.9173e-66 25176 1 1 1 3 4 ILE CA 61.497 . 61.61 2.68 9.6637e-01 25176 1 1 1 3 4 ILE CB 39.118 . 38.63 2.02 8.0910e-01 25176 1 1 1 3 4 ILE CG2 26.99 S 17.53 1.36 3.5036e-12 25176 1 1 1 3 4 ILE CD1 17.14 . 13.43 1.67 2.6313e-02 25176 1 1 1 3 4 ILE H 8.19 . 8.28 0.68 8.9471e-01 25176 1 1 1 3 4 ILE HA 4.135 . 4.18 0.56 9.3595e-01 25176 1 1 1 3 4 ILE HB 1.766 . 1.78 0.29 9.6150e-01 25176 1 1 1 3 4 ILE HG21 1.333 . 0.77 0.27 3.7053e-02 25176 1 1 1 3 4 ILE HG22 1.059 . 0.77 0.27 2.8445e-01 25176 1 1 1 3 4 ILE HG23 1.333 . 0.77 0.27 3.7053e-02 25176 1 1 1 3 4 ILE HD11 0.729 . 0.68 0.29 8.6582e-01 25176 1 1 1 3 4 ILE HD12 0.729 . 0.68 0.29 8.6582e-01 25176 1 1 1 3 4 ILE HD13 0.729 . 0.68 0.29 8.6582e-01 25176 1 1 1 3 4 ILE N 55.913 A 121.46 4.28 6.0974e-53 25176 1 1 1 3 5 THR CA 61.854 . 62.22 2.59 8.8762e-01 25176 1 1 1 3 5 THR CB 70.466 . 69.73 1.63 6.5160e-01 25176 1 1 1 3 5 THR H 8.363 . 8.24 0.62 8.4274e-01 25176 1 1 1 3 5 THR N 45.514 A 115.42 4.75 5.0103e-49 25176 1 1 1 3 6 ILE CA 61.502 . 61.61 2.68 9.6786e-01 25176 1 1 1 3 6 ILE CB 39.099 . 38.63 2.02 8.1640e-01 25176 1 1 1 3 6 ILE CG2 26.99 S 17.53 1.36 3.5036e-12 25176 1 1 1 3 6 ILE CD1 17.14 . 13.43 1.67 2.6313e-02 25176 1 1 1 3 6 ILE H 8.157 . 8.28 0.68 8.5646e-01 25176 1 1 1 3 6 ILE HA 4.135 . 4.18 0.56 9.3595e-01 25176 1 1 1 3 6 ILE HB 1.766 . 1.78 0.29 9.6150e-01 25176 1 1 1 3 6 ILE HG21 1.333 . 0.77 0.27 3.7053e-02 25176 1 1 1 3 6 ILE HG22 1.059 . 0.77 0.27 2.8445e-01 25176 1 1 1 3 6 ILE HG23 1.333 . 0.77 0.27 3.7053e-02 25176 1 1 1 3 6 ILE HD11 0.729 . 0.68 0.29 8.6582e-01 25176 1 1 1 3 6 ILE HD12 0.729 . 0.68 0.29 8.6582e-01 25176 1 1 1 3 6 ILE HD13 0.729 . 0.68 0.29 8.6582e-01 25176 1 1 1 3 6 ILE N 54.588 A 121.46 4.28 4.9736e-55 25176 1 1 1 3 7 HIS CA 56.586 . 56.52 2.31 9.7721e-01 25176 1 1 1 3 7 HIS CB 33.338 . 30.24 2.07 1.3449e-01 25176 1 1 1 3 7 HIS H 8.199 . 8.24 0.68 9.5192e-01 25176 1 1 1 3 7 HIS N 54.392 A 119.69 4 6.6080e-60 25176 1 1 1 3 8 ASP CA 54.899 . 54.69 2.03 9.1800e-01 25176 1 1 1 3 8 ASP CB 41.581 . 40.88 1.62 6.6522e-01 25176 1 1 1 3 8 ASP H 8.122 . 8.31 0.58 7.4583e-01 25176 1 1 1 3 8 ASP HA 4.358 . 4.59 0.32 4.6845e-01 25176 1 1 1 3 8 ASP HB2 3.09 . 2.72 0.26 1.5471e-01 25176 1 1 1 3 8 ASP HB3 2.8 . 2.66 0.28 6.1707e-01 25176 1 1 1 3 8 ASP N 49.65 A 120.65 3.86 1.4733e-75 25176 1 1 1 3 9 ARG CA 57.508 . 56.77 2.31 7.4936e-01 25176 1 1 1 3 9 ARG CB 30.641 . 30.7 1.83 9.7428e-01 25176 1 1 1 3 9 ARG H 8.257 . 8.24 0.61 9.7777e-01 25176 1 1 1 3 9 ARG N 50.626 A 120.8 3.68 4.5677e-81 25176 1 1 1 3 10 LYS CA 57.589 . 56.95 2.2 7.7147e-01 25176 1 1 1 3 10 LYS CB 32.799 . 32.79 1.78 9.9597e-01 25176 1 1 1 3 10 LYS CG 28.07 . 24.89 1.13 4.8905e-03 25176 1 1 1 3 10 LYS CD 28.59 . 28.96 1.08 7.3190e-01 25176 1 1 1 3 10 LYS CE 41.71 . 41.89 0.82 8.2625e-01 25176 1 1 1 3 10 LYS H 8.318 . 8.19 0.6 8.3107e-01 25176 1 1 1 3 10 LYS HA 4.135 . 4.27 0.44 7.5898e-01 25176 1 1 1 3 10 LYS HB2 1.703 . 1.78 0.25 7.5808e-01 25176 1 1 1 3 10 LYS HB3 1.67 . 1.74 0.27 7.9544e-01 25176 1 1 1 3 10 LYS HG2 1.577 . 1.37 0.26 4.2594e-01 25176 1 1 1 3 10 LYS HD2 1.572 . 1.61 0.22 8.6287e-01 25176 1 1 1 3 10 LYS HE2 2.877 . 2.92 0.19 8.2096e-01 25176 1 1 1 3 10 LYS N 51.707 A 121.05 3.77 1.4846e-75 25176 1 1 1 3 11 GLU CA 57.745 . 57.32 2.09 8.3886e-01 25176 1 1 1 3 11 GLU CB 30.254 . 30.01 1.72 8.8719e-01 25176 1 1 1 3 11 GLU CG 36.16 . 36.11 1.19 9.6649e-01 25176 1 1 1 3 11 GLU H 8.279 . 8.33 0.59 9.3112e-01 25176 1 1 1 3 11 GLU HA 4.031 . 4.25 0.41 5.9324e-01 25176 1 1 1 3 11 GLU HB2 1.962 . 2.02 0.21 7.8240e-01 25176 1 1 1 3 11 GLU HG2 2.255 . 2.27 0.21 9.4306e-01 25176 1 1 1 3 11 GLU HG3 2.172 . 2.25 0.22 7.2293e-01 25176 1 1 1 3 11 GLU N 48.649 A 120.67 3.48 0.0000e+00 25176 1 1 1 3 12 PHE CA 59.087 . 58.08 2.57 6.9518e-01 25176 1 1 1 3 12 PHE CB 39.567 . 39.99 2.09 8.3961e-01 25176 1 1 1 3 12 PHE H 8.078 . 8.36 0.72 6.9530e-01 25176 1 1 1 3 12 PHE HA 4.441 . 4.63 0.57 7.4021e-01 25176 1 1 1 3 12 PHE HB2 3.001 . 3 0.37 9.9784e-01 25176 1 1 1 3 12 PHE HB3 3.087 . 2.93 0.4 6.9469e-01 25176 1 1 1 3 12 PHE N 47.07 A 120.45 4.18 5.4444e-69 25176 1 1 1 3 13 ALA CA 53.757 . 53.14 1.98 7.5533e-01 25176 1 1 1 3 13 ALA CB 19.22 . 19.01 1.83 9.0864e-01 25176 1 1 1 3 13 ALA H 8.05 . 8.2 0.6 8.0259e-01 25176 1 1 1 3 13 ALA HA 4.115 . 4.26 0.44 7.4174e-01 25176 1 1 1 3 13 ALA HB1 1.212 . 1.35 0.26 5.9558e-01 25176 1 1 1 3 13 ALA HB2 1.212 . 1.35 0.26 5.9558e-01 25176 1 1 1 3 13 ALA HB3 1.212 . 1.35 0.26 5.9558e-01 25176 1 1 1 3 13 ALA N 57.03 A 123.23 3.54 4.8983e-78 25176 1 1 1 3 14 LYS CA 57.773 . 56.95 2.2 7.0834e-01 25176 1 1 1 3 14 LYS CB 32.89 . 32.79 1.78 9.5520e-01 25176 1 1 1 3 14 LYS CG 26.81 . 24.89 1.13 8.9298e-02 25176 1 1 1 3 14 LYS CD 43.08 A 28.96 1.08 4.6317e-39 25176 1 1 1 3 14 LYS H 7.932 . 8.19 0.6 6.6720e-01 25176 1 1 1 3 14 LYS HA 4.033 . 4.27 0.44 5.9014e-01 25176 1 1 1 3 14 LYS HB2 1.607 . 1.78 0.25 4.8894e-01 25176 1 1 1 3 14 LYS HG2 1.504 . 1.37 0.26 6.0628e-01 25176 1 1 1 3 14 LYS HG3 1.46 . 1.35 0.28 6.9442e-01 25176 1 1 1 3 14 LYS HD2 3.022 S 1.61 0.22 1.3791e-10 25176 1 1 1 3 14 LYS N 45.312 A 121.05 3.77 0.0000e+00 25176 1 1 1 3 15 PHE CA 59.356 . 58.08 2.57 6.1954e-01 25176 1 1 1 3 15 PHE CB 39.385 . 39.99 2.09 7.7222e-01 25176 1 1 1 3 15 PHE H 8.007 . 8.36 0.72 6.2394e-01 25176 1 1 1 3 15 PHE HA 4.445 . 4.63 0.57 7.4551e-01 25176 1 1 1 3 15 PHE HB2 3.004 . 3 0.37 9.9137e-01 25176 1 1 1 3 15 PHE HB3 3.086 . 2.93 0.4 6.9654e-01 25176 1 1 1 3 15 PHE N 47.72 A 120.45 4.18 8.3195e-68 25176 1 1 1 3 16 GLU CA 58.385 . 57.32 2.09 6.1035e-01 25176 1 1 1 3 16 GLU CB 30.15 . 30.01 1.72 9.3513e-01 25176 1 1 1 3 16 GLU CG 36.14 . 36.11 1.19 9.7989e-01 25176 1 1 1 3 16 GLU H 8.208 . 8.33 0.59 8.3618e-01 25176 1 1 1 3 16 GLU HA 4.029 . 4.25 0.41 5.8987e-01 25176 1 1 1 3 16 GLU HB2 1.962 . 2.02 0.21 7.8240e-01 25176 1 1 1 3 16 GLU HG2 2.168 . 2.27 0.21 6.2717e-01 25176 1 1 1 3 16 GLU HG3 2.252 . 2.25 0.22 9.9275e-01 25176 1 1 1 3 16 GLU N 49.242 A 120.67 3.48 0.0000e+00 25176 1 1 1 3 17 GLU CA 58.404 . 57.32 2.09 6.0400e-01 25176 1 1 1 3 17 GLU CB 30.151 . 30.01 1.72 9.3467e-01 25176 1 1 1 3 17 GLU CG 36.14 . 36.11 1.19 9.7989e-01 25176 1 1 1 3 17 GLU H 8.202 . 8.33 0.59 8.2825e-01 25176 1 1 1 3 17 GLU HA 4.029 . 4.25 0.41 5.8987e-01 25176 1 1 1 3 17 GLU HB2 1.962 . 2.02 0.21 7.8240e-01 25176 1 1 1 3 17 GLU HG2 2.168 . 2.27 0.21 6.2717e-01 25176 1 1 1 3 17 GLU HG3 2.252 . 2.25 0.22 9.9275e-01 25176 1 1 1 3 17 GLU N 48.464 A 120.67 3.48 0.0000e+00 25176 1 1 1 3 18 GLU CA 58.144 . 57.32 2.09 6.9339e-01 25176 1 1 1 3 18 GLU CB 30.346 . 30.01 1.72 8.4512e-01 25176 1 1 1 3 18 GLU CG 36.16 . 36.11 1.19 9.6649e-01 25176 1 1 1 3 18 GLU H 8.163 . 8.33 0.59 7.7714e-01 25176 1 1 1 3 18 GLU HA 4.027 . 4.25 0.41 5.8651e-01 25176 1 1 1 3 18 GLU HB2 1.962 . 2.02 0.21 7.8240e-01 25176 1 1 1 3 18 GLU HG2 2.172 . 2.27 0.21 6.4074e-01 25176 1 1 1 3 18 GLU HG3 2.251 . 2.25 0.22 9.9637e-01 25176 1 1 1 3 18 GLU N 49.961 A 120.67 3.48 0.0000e+00 25176 1 1 1 3 19 ARG CA 57.776 . 56.77 2.31 6.6320e-01 25176 1 1 1 3 19 ARG CB 30.573 . 30.7 1.83 9.4467e-01 25176 1 1 1 3 19 ARG CG 26.81 . 27.21 1.2 7.3888e-01 25176 1 1 1 3 19 ARG CD 43.08 . 43.16 0.88 9.2757e-01 25176 1 1 1 3 19 ARG H 8.039 . 8.24 0.61 7.4177e-01 25176 1 1 1 3 19 ARG HA 4.033 . 4.3 0.46 5.6162e-01 25176 1 1 1 3 19 ARG HB2 1.67 . 1.79 0.27 6.5672e-01 25176 1 1 1 3 19 ARG HB3 1.718 . 1.76 0.28 8.8076e-01 25176 1 1 1 3 19 ARG HG2 1.467 . 1.57 0.27 7.0285e-01 25176 1 1 1 3 19 ARG HG3 1.507 . 1.54 0.29 9.0940e-01 25176 1 1 1 3 19 ARG HD2 3.022 . 3.12 0.24 6.8303e-01 25176 1 1 1 3 19 ARG HE 7.155 . 7.4 0.63 6.9736e-01 25176 1 1 1 3 19 ARG N 47.851 A 120.8 3.68 1.8816e-87 25176 1 1 1 3 20 ALA CA 53.721 . 53.14 1.98 7.6919e-01 25176 1 1 1 3 20 ALA CB 19.079 . 19.01 1.83 9.6992e-01 25176 1 1 1 3 20 ALA H 7.918 . 8.2 0.6 6.3835e-01 25176 1 1 1 3 20 ALA HA 4.13 . 4.26 0.44 7.6765e-01 25176 1 1 1 3 20 ALA HB1 1.354 . 1.35 0.26 9.8773e-01 25176 1 1 1 3 20 ALA HB2 1.354 . 1.35 0.26 9.8773e-01 25176 1 1 1 3 20 ALA HB3 1.354 . 1.35 0.26 9.8773e-01 25176 1 1 1 3 20 ALA N 53.952 A 123.23 3.54 2.7837e-85 25176 1 1 1 3 21 ARG CA 57.424 . 56.77 2.31 7.7709e-01 25176 1 1 1 3 21 ARG CB 30.816 . 30.7 1.83 9.4946e-01 25176 1 1 1 3 21 ARG CG 28.59 . 27.21 1.2 2.5014e-01 25176 1 1 1 3 21 ARG CD 43.08 . 43.16 0.88 9.2757e-01 25176 1 1 1 3 21 ARG H 7.856 . 8.24 0.61 5.2902e-01 25176 1 1 1 3 21 ARG HA 4.035 . 4.3 0.46 5.6456e-01 25176 1 1 1 3 21 ARG HB2 1.666 . 1.79 0.27 6.4605e-01 25176 1 1 1 3 21 ARG HB3 1.725 . 1.76 0.28 9.0052e-01 25176 1 1 1 3 21 ARG HG2 1.507 . 1.57 0.27 8.1550e-01 25176 1 1 1 3 21 ARG HD2 3.023 . 3.12 0.24 6.8609e-01 25176 1 1 1 3 21 ARG N 43.354 A 120.8 3.68 0.0000e+00 25176 1 1 1 3 22 ALA CA 53.608 . 53.14 1.98 8.1315e-01 25176 1 1 1 3 22 ALA CB 19.111 . 19.01 1.83 9.5599e-01 25176 1 1 1 3 22 ALA H 7.907 . 8.2 0.6 6.2531e-01 25176 1 1 1 3 22 ALA HA 4.115 . 4.26 0.44 7.4174e-01 25176 1 1 1 3 22 ALA HB1 1.212 . 1.35 0.26 5.9558e-01 25176 1 1 1 3 22 ALA HB2 1.212 . 1.35 0.26 5.9558e-01 25176 1 1 1 3 22 ALA HB3 1.212 . 1.35 0.26 5.9558e-01 25176 1 1 1 3 22 ALA N 55.489 A 123.23 3.54 1.2693e-81 25176 1 1 1 3 23 LYS CA 57.444 . 56.95 2.2 8.2233e-01 25176 1 1 1 3 23 LYS CB 33.061 . 32.79 1.78 8.7899e-01 25176 1 1 1 3 23 LYS CD 43.08 A 28.96 1.08 4.6317e-39 25176 1 1 1 3 23 LYS H 7.856 . 8.19 0.6 5.7776e-01 25176 1 1 1 3 23 LYS HA 4.075 . 4.27 0.44 6.5763e-01 25176 1 1 1 3 23 LYS HB2 1.651 . 1.78 0.25 6.0585e-01 25176 1 1 1 3 23 LYS HD2 3.023 S 1.61 0.22 1.3385e-10 25176 1 1 1 3 23 LYS N 43.354 A 121.05 3.77 0.0000e+00 25176 1 1 1 3 25 ASP CA 54.953 . 54.69 2.03 8.9692e-01 25176 1 1 1 3 25 ASP CB 41.346 . 40.88 1.62 7.7361e-01 25176 1 1 1 3 25 ASP H 8.122 . 8.31 0.58 7.4583e-01 25176 1 1 1 3 25 ASP HA 4.528 . 4.59 0.32 8.4637e-01 25176 1 1 1 3 25 ASP HB2 2.453 . 2.72 0.26 3.0446e-01 25176 1 1 1 3 25 ASP HB3 2.532 . 2.66 0.28 6.4757e-01 25176 1 1 1 3 25 ASP N 50.848 A 120.65 3.86 4.3053e-73 25176 1 1 1 3 26 THR CA 63.014 . 62.22 2.59 7.5918e-01 25176 1 1 1 3 26 THR CB 69.883 . 69.73 1.63 9.2522e-01 25176 1 1 1 3 26 THR CG2 21.36 . 21.55 1.11 8.6409e-01 25176 1 1 1 3 26 THR H 7.908 . 8.24 0.62 5.9232e-01 25176 1 1 1 3 26 THR HA 4.101 . 4.46 0.48 4.5451e-01 25176 1 1 1 3 26 THR HB 4.182 . 4.17 0.33 9.7099e-01 25176 1 1 1 3 26 THR HG21 1.086 . 1.14 0.23 8.1438e-01 25176 1 1 1 3 26 THR HG22 1.086 . 1.14 0.23 8.1438e-01 25176 1 1 1 3 26 THR HG23 1.086 . 1.14 0.23 8.1438e-01 25176 1 1 1 3 26 THR N 29.61 A 115.42 4.75 5.9836e-73 25176 1 1 1 3 27 ALA CA 53.65 . 53.14 1.98 7.9673e-01 25176 1 1 1 3 27 ALA CB 19.272 . 19.01 1.83 8.8616e-01 25176 1 1 1 3 27 ALA H 8.071 . 8.2 0.6 8.2977e-01 25176 1 1 1 3 27 ALA HA 4.151 . 4.26 0.44 8.0435e-01 25176 1 1 1 3 27 ALA HB1 1.29 . 1.35 0.26 8.1749e-01 25176 1 1 1 3 27 ALA HB2 1.29 . 1.35 0.26 8.1749e-01 25176 1 1 1 3 27 ALA HB3 1.29 . 1.35 0.26 8.1749e-01 25176 1 1 1 3 27 ALA N 58.822 A 123.23 3.54 5.7214e-74 25176 1 1 1 3 28 ASN CA 53.604 . 53.54 1.88 9.7284e-01 25176 1 1 1 3 28 ASN CB 39.326 . 38.69 1.69 7.0667e-01 25176 1 1 1 3 28 ASN H 8.02 . 8.34 0.63 6.1150e-01 25176 1 1 1 3 28 ASN HA 4.532 . 4.67 0.36 7.0147e-01 25176 1 1 1 3 28 ASN HB2 2.529 . 2.81 0.31 3.6470e-01 25176 1 1 1 3 28 ASN HB3 2.456 . 2.75 0.33 3.7298e-01 25176 1 1 1 3 28 ASN N 35.104 A 118.93 4.03 0.0000e+00 25176 1 1 1 3 29 ASN CA 51.738 . 53.54 1.88 3.3781e-01 25176 1 1 1 3 29 ASN CB 39.356 . 38.69 1.69 6.9352e-01 25176 1 1 1 3 29 ASN H 8.003 . 8.34 0.63 5.9270e-01 25176 1 1 1 3 29 ASN HA 4.673 . 4.67 0.36 9.9335e-01 25176 1 1 1 3 29 ASN HB2 2.734 . 2.81 0.31 8.0633e-01 25176 1 1 1 3 29 ASN HB3 2.673 . 2.75 0.33 8.1550e-01 25176 1 1 1 3 29 ASN HD21 6.769 . 7.35 0.48 2.2612e-01 25176 1 1 1 3 29 ASN N 45.763 A 118.93 4.03 1.1599e-73 25176 1 1 1 3 31 LEU CA 55.771 . 55.62 2.13 9.4348e-01 25176 1 1 1 3 31 LEU CB 42.349 . 42.31 1.88 9.8345e-01 25176 1 1 1 3 31 LEU CG 26.71 . 26.78 1.1 9.4926e-01 25176 1 1 1 3 31 LEU CD1 22.96 . 24.72 1.59 2.6833e-01 25176 1 1 1 3 31 LEU CD2 24.38 . 24.05 1.7 8.4608e-01 25176 1 1 1 3 31 LEU H 8.003 . 8.23 0.65 7.2692e-01 25176 1 1 1 3 31 LEU HA 4.127 . 4.32 0.47 6.8134e-01 25176 1 1 1 3 31 LEU HB2 1.409 . 1.61 0.34 5.5440e-01 25176 1 1 1 3 31 LEU HG 1.409 . 1.51 0.33 7.5956e-01 25176 1 1 1 3 31 LEU HD11 0.719 . 0.75 0.28 9.1184e-01 25176 1 1 1 3 31 LEU HD12 0.719 . 0.75 0.28 9.1184e-01 25176 1 1 1 3 31 LEU HD13 0.719 . 0.75 0.28 9.1184e-01 25176 1 1 1 3 31 LEU HD21 0.792 . 0.73 0.29 8.3071e-01 25176 1 1 1 3 31 LEU HD22 0.792 . 0.73 0.29 8.3071e-01 25176 1 1 1 3 31 LEU HD23 0.792 . 0.73 0.29 8.3071e-01 25176 1 1 1 3 31 LEU N 45.763 A 121.86 3.9 8.6731e-85 25176 1 1 1 3 32 TYR CA 57.991 . 58.13 2.51 9.5584e-01 25176 1 1 1 3 32 TYR CB 38.92 . 39.32 2.16 8.5308e-01 25176 1 1 1 3 32 TYR H 7.714 . 8.32 0.73 4.0646e-01 25176 1 1 1 3 32 TYR HA 4.443 . 4.63 0.56 7.3843e-01 25176 1 1 1 3 32 TYR HB2 2.98 . 2.91 0.37 8.4994e-01 25176 1 1 1 3 32 TYR HB3 2.83 . 2.84 0.39 9.7954e-01 25176 1 1 1 3 32 TYR HD2 7.725 . 6.93 0.3 8.0492e-03 25176 1 1 1 3 32 TYR N 45.304 A 120.52 4.2 1.0110e-71 25176 1 1 1 3 33 LYS CA 56.815 . 56.95 2.2 9.5107e-01 25176 1 1 1 3 33 LYS CB 33.658 . 32.79 1.78 6.2580e-01 25176 1 1 1 3 33 LYS CG 26.83 . 24.89 1.13 8.6013e-02 25176 1 1 1 3 33 LYS CD 30.55 . 28.96 1.08 1.4096e-01 25176 1 1 1 3 33 LYS CE 43 . 41.89 0.82 1.7585e-01 25176 1 1 1 3 33 LYS H 7.834 . 8.19 0.6 5.5296e-01 25176 1 1 1 3 33 LYS HA 4.237 . 4.27 0.44 9.4021e-01 25176 1 1 1 3 33 LYS HB2 1.696 . 1.78 0.25 7.3687e-01 25176 1 1 1 3 33 LYS HG2 1.581 . 1.37 0.26 4.1706e-01 25176 1 1 1 3 33 LYS HD2 1.76 . 1.61 0.22 4.9535e-01 25176 1 1 1 3 33 LYS HE2 3.109 . 2.92 0.19 3.1986e-01 25176 1 1 1 3 33 LYS N 54.753 A 121.05 3.77 3.1866e-69 25176 1 1 1 3 34 GLU CA 57.058 . 57.32 2.09 9.0024e-01 25176 1 1 1 3 34 GLU CB 30.47 . 30.01 1.72 7.8913e-01 25176 1 1 1 3 34 GLU CG 35.9 . 36.11 1.19 8.5992e-01 25176 1 1 1 3 34 GLU H 8.218 . 8.33 0.59 8.4944e-01 25176 1 1 1 3 34 GLU HA 4.135 . 4.25 0.41 7.7910e-01 25176 1 1 1 3 34 GLU HB2 1.833 . 2.02 0.21 3.7321e-01 25176 1 1 1 3 34 GLU HB3 1.57 . 1.99 0.23 6.7837e-02 25176 1 1 1 3 34 GLU HG2 2.21 . 2.27 0.21 7.7510e-01 25176 1 1 1 3 34 GLU N 51.605 A 120.67 3.48 1.1870e-87 25176 1 1 1 3 35 ALA CA 53.269 . 53.14 1.98 9.4805e-01 25176 1 1 1 3 35 ALA CB 19.443 . 19.01 1.83 8.1296e-01 25176 1 1 1 3 35 ALA H 8.278 . 8.2 0.6 8.9657e-01 25176 1 1 1 3 35 ALA HA 4.134 . 4.26 0.44 7.7460e-01 25176 1 1 1 3 35 ALA HB1 1.352 . 1.35 0.26 9.9386e-01 25176 1 1 1 3 35 ALA HB2 1.352 . 1.35 0.26 9.9386e-01 25176 1 1 1 3 35 ALA HB3 1.352 . 1.35 0.26 9.9386e-01 25176 1 1 1 3 35 ALA N 60.484 A 123.23 3.54 2.6959e-70 25176 1 1 1 3 36 THR CA 62.495 . 62.22 2.59 9.1544e-01 25176 1 1 1 3 36 THR CB 70.201 . 69.73 1.63 7.7261e-01 25176 1 1 1 3 36 THR CG2 20.91 . 21.55 1.11 5.6423e-01 25176 1 1 1 3 36 THR H 8.023 . 8.24 0.62 7.2634e-01 25176 1 1 1 3 36 THR HA 4.248 . 4.46 0.48 6.5873e-01 25176 1 1 1 3 36 THR HB 4.026 . 4.17 0.33 6.6257e-01 25176 1 1 1 3 36 THR HG21 1.05 . 1.14 0.23 6.9557e-01 25176 1 1 1 3 36 THR HG22 1.05 . 1.14 0.23 6.9557e-01 25176 1 1 1 3 36 THR HG23 1.05 . 1.14 0.23 6.9557e-01 25176 1 1 1 3 36 THR N 26.103 A 115.42 4.75 7.0589e-79 25176 1 1 1 3 37 SER CA 58.965 . 58.72 2.07 9.0578e-01 25176 1 1 1 3 37 SER CB 64.284 . 63.8 1.48 7.4365e-01 25176 1 1 1 3 37 SER H 8.196 . 8.28 0.59 8.8679e-01 25176 1 1 1 3 37 SER HA 4.344 . 4.48 0.4 7.3386e-01 25176 1 1 1 3 37 SER HB2 3.726 . 3.88 0.25 5.3789e-01 25176 1 1 1 3 37 SER N 40.286 A 116.28 3.52 0.0000e+00 25176 1 1 1 3 38 THR CA 62.604 . 62.22 2.59 8.8214e-01 25176 1 1 1 3 38 THR CB 70.084 . 69.73 1.63 8.2807e-01 25176 1 1 1 3 38 THR CG2 21.07 . 21.55 1.11 6.6543e-01 25176 1 1 1 3 38 THR H 8.015 . 8.24 0.62 7.1668e-01 25176 1 1 1 3 38 THR HA 4.284 . 4.46 0.48 7.1387e-01 25176 1 1 1 3 38 THR HB 4.151 . 4.17 0.33 9.5409e-01 25176 1 1 1 3 38 THR HG21 1.116 . 1.14 0.23 9.1689e-01 25176 1 1 1 3 38 THR HG22 1.116 . 1.14 0.23 9.1689e-01 25176 1 1 1 3 38 THR HG23 1.116 . 1.14 0.23 9.1689e-01 25176 1 1 1 3 38 THR N 34.069 A 115.42 4.75 9.4109e-66 25176 1 1 1 3 39 PHE CA 58.146 . 58.08 2.57 9.7951e-01 25176 1 1 1 3 39 PHE CB 39.844 . 39.99 2.09 9.4431e-01 25176 1 1 1 3 39 PHE H 8.117 . 8.36 0.72 7.3574e-01 25176 1 1 1 3 39 PHE HA 4.67 . 4.63 0.57 9.4405e-01 25176 1 1 1 3 39 PHE HB2 3.059 . 3 0.37 8.7331e-01 25176 1 1 1 3 39 PHE HB3 2.923 . 2.93 0.4 9.8604e-01 25176 1 1 1 3 39 PHE HD1 7.786 . 7.06 0.31 1.9184e-02 25176 1 1 1 3 39 PHE N 51.966 A 120.45 4.18 2.4993e-60 25176 1 1 1 3 40 THR CA 62.262 . 62.22 2.59 9.8706e-01 25176 1 1 1 3 40 THR CB 70.201 . 69.73 1.63 7.7261e-01 25176 1 1 1 3 40 THR CG2 21.07 . 21.55 1.11 6.6543e-01 25176 1 1 1 3 40 THR H 7.945 . 8.24 0.62 6.3421e-01 25176 1 1 1 3 40 THR HA 4.284 . 4.46 0.48 7.1387e-01 25176 1 1 1 3 40 THR HB 4.15 . 4.17 0.33 9.5167e-01 25176 1 1 1 3 40 THR HG21 1.117 . 1.14 0.23 9.2034e-01 25176 1 1 1 3 40 THR HG22 1.117 . 1.14 0.23 9.2034e-01 25176 1 1 1 3 40 THR HG23 1.117 . 1.14 0.23 9.2034e-01 25176 1 1 1 3 40 THR N 33.926 A 115.42 4.75 5.6073e-66 25176 1 1 1 3 41 ASN CA 53.742 . 53.54 1.88 9.1443e-01 25176 1 1 1 3 41 ASN CB 39.067 . 38.69 1.69 8.2348e-01 25176 1 1 1 3 41 ASN H 8.274 . 8.34 0.63 9.1656e-01 25176 1 1 1 3 41 ASN HB2 2.653 . 2.81 0.31 6.1254e-01 25176 1 1 1 3 41 ASN HB3 2.9 . 2.75 0.33 6.4944e-01 25176 1 1 1 3 41 ASN N 49.586 A 118.93 4.03 2.3552e-66 25176 1 1 1 3 42 ILE CA 61.076 . 61.61 2.68 8.4206e-01 25176 1 1 1 3 42 ILE CB 38.65 . 38.63 2.02 9.9210e-01 25176 1 1 1 3 42 ILE CG2 26.99 S 17.53 1.36 3.5036e-12 25176 1 1 1 3 42 ILE CD1 12.584 . 13.43 1.67 6.1244e-01 25176 1 1 1 3 42 ILE H 8 . 8.28 0.68 6.8051e-01 25176 1 1 1 3 42 ILE HA 4.151 . 4.18 0.56 9.5870e-01 25176 1 1 1 3 42 ILE HB 1.759 . 1.78 0.29 9.4227e-01 25176 1 1 1 3 42 ILE HG21 1.334 . 0.77 0.27 3.6718e-02 25176 1 1 1 3 42 ILE HG22 1.054 . 0.77 0.27 2.9287e-01 25176 1 1 1 3 42 ILE HG23 1.334 . 0.77 0.27 3.6718e-02 25176 1 1 1 3 42 ILE HD11 0.752 . 0.68 0.29 8.0392e-01 25176 1 1 1 3 42 ILE HD12 0.752 . 0.68 0.29 8.0392e-01 25176 1 1 1 3 42 ILE HD13 0.752 . 0.68 0.29 8.0392e-01 25176 1 1 1 3 42 ILE N 49.442 A 121.46 4.28 1.5570e-63 25176 1 1 1 3 43 THR CA 62.58 . 62.22 2.59 8.8945e-01 25176 1 1 1 3 43 THR CB 70.284 . 69.73 1.63 7.3395e-01 25176 1 1 1 3 43 THR CG2 21.36 . 21.55 1.11 8.6409e-01 25176 1 1 1 3 43 THR H 8.069 . 8.24 0.62 7.8270e-01 25176 1 1 1 3 43 THR HA 4.101 . 4.46 0.48 4.5451e-01 25176 1 1 1 3 43 THR HB 4.179 . 4.17 0.33 9.7824e-01 25176 1 1 1 3 43 THR HG21 1.086 . 1.14 0.23 8.1438e-01 25176 1 1 1 3 43 THR HG22 1.086 . 1.14 0.23 8.1438e-01 25176 1 1 1 3 43 THR HG23 1.086 . 1.14 0.23 8.1438e-01 25176 1 1 1 3 43 THR N 41.131 A 115.42 4.75 3.9002e-55 25176 1 1 1 3 44 TYR CA 58.56 . 58.13 2.51 8.6398e-01 25176 1 1 1 3 44 TYR CB 39.054 . 39.32 2.16 9.0199e-01 25176 1 1 1 3 44 TYR H 8.18 . 8.32 0.73 8.4791e-01 25176 1 1 1 3 44 TYR HA 4.447 . 4.63 0.56 7.4383e-01 25176 1 1 1 3 44 TYR HB2 3.087 . 2.91 0.37 6.3238e-01 25176 1 1 1 3 44 TYR HB3 2.995 . 2.84 0.39 6.9105e-01 25176 1 1 1 3 44 TYR HD1 7.019 . 6.93 0.3 7.6672e-01 25176 1 1 1 3 44 TYR N 56.189 A 120.52 4.2 5.8959e-53 25176 1 1 1 3 45 ARG CA 56.1 . 56.77 2.31 7.7178e-01 25176 1 1 1 3 45 ARG CB 30.552 . 30.7 1.83 9.3554e-01 25176 1 1 1 3 45 ARG CG 28.7 . 27.21 1.2 2.1436e-01 25176 1 1 1 3 45 ARG CD 41.71 . 43.16 0.88 9.9409e-02 25176 1 1 1 3 45 ARG H 8.182 . 8.24 0.61 9.2425e-01 25176 1 1 1 3 45 ARG HA 4.158 . 4.3 0.46 7.5755e-01 25176 1 1 1 3 45 ARG HB2 1.676 . 1.79 0.27 6.7286e-01 25176 1 1 1 3 45 ARG HG2 1.626 . 1.57 0.27 8.3569e-01 25176 1 1 1 3 45 ARG HG3 1.564 . 1.54 0.29 9.3404e-01 25176 1 1 1 3 45 ARG HD2 2.874 . 3.12 0.24 3.0536e-01 25176 1 1 1 3 45 ARG N 58.137 A 120.8 3.68 5.0924e-65 25176 1 1 1 3 46 GLY CA 45.657 . 45.35 1.34 8.1879e-01 25176 1 1 1 3 46 GLY H 7.635 . 8.33 0.65 2.8497e-01 25176 1 1 1 3 46 GLY HA2 4.192 . 3.97 0.37 5.4851e-01 25176 1 1 1 3 46 GLY HA3 3.835 . 3.9 0.37 8.6055e-01 25176 1 1 1 3 46 GLY N 17.2 A 109.67 3.87 0.0000e+00 25176 1 1 1 3 47 THR CA 63.461 . 62.22 2.59 6.3183e-01 25176 1 1 1 3 47 THR CB 71.083 . 69.73 1.63 4.0650e-01 25176 1 1 1 3 47 THR CG2 21.36 . 21.55 1.11 8.6409e-01 25176 1 1 1 3 47 THR H 7.597 . 8.24 0.62 2.9969e-01 25176 1 1 1 3 47 THR HA 4.106 . 4.46 0.48 4.6082e-01 25176 1 1 1 3 47 THR HB 4.181 . 4.17 0.33 9.7341e-01 25176 1 1 1 3 47 THR HG21 1.072 . 1.14 0.23 7.6750e-01 25176 1 1 1 3 47 THR HG22 1.072 . 1.14 0.23 7.6750e-01 25176 1 1 1 3 47 THR HG23 1.072 . 1.14 0.23 7.6750e-01 25176 1 1 1 3 47 THR N 41 A 115.42 4.75 2.5283e-55 25176 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 1 GLY GLY 0.85 25176 1 1 1 1 1 GLY LEU 0.08 25176 1 1 1 1 1 GLY CYS 0.02 25176 1 1 1 1 2 GLY GLY 0.86 25176 1 1 1 1 2 GLY LEU 0.08 25176 1 1 1 1 2 GLY CYS 0.02 25176 1 1 1 1 3 ALA ALA 0.79 25176 1 1 1 1 3 ALA CYS 0.09 25176 1 1 1 1 3 ALA LEU 0.04 25176 1 1 1 1 3 ALA VAL 0.03 25176 1 1 1 1 3 ALA ILE 0.02 25176 1 1 1 1 4 HIS TRP 0.15 25176 1 1 1 1 4 HIS GLU 0.14 25176 1 1 1 1 4 HIS LYS 0.14 25176 1 1 1 1 4 HIS GLN 0.13 25176 1 1 1 1 4 HIS CYS 0.13 25176 1 1 1 1 4 HIS HIS 0.12 25176 1 1 1 1 4 HIS ARG 0.11 25176 1 1 1 1 4 HIS ILE 0.03 25176 1 1 1 1 5 LYS LYS 0.48 25176 1 1 1 1 5 LYS CYS 0.34 25176 1 1 1 1 5 LYS ARG 0.16 25176 1 1 1 1 6 VAL VAL 0.71 25176 1 1 1 1 6 VAL CYS 0.28 25176 1 1 1 1 7 ARG CYS 0.52 25176 1 1 1 1 7 ARG ARG 0.25 25176 1 1 1 1 7 ARG LYS 0.14 25176 1 1 1 1 7 ARG GLY 0.07 25176 1 1 1 1 8 ALA LEU 0.51 25176 1 1 1 1 8 ALA CYS 0.2 25176 1 1 1 1 8 ALA ALA 0.1 25176 1 1 1 1 8 ALA LYS 0.08 25176 1 1 1 1 8 ALA PRO 0.07 25176 1 1 1 1 9 GLY GLY 0.88 25176 1 1 1 1 9 GLY LEU 0.06 25176 1 1 1 1 9 GLY CYS 0.03 25176 1 1 1 1 10 GLY GLY 0.75 25176 1 1 1 1 10 GLY LEU 0.13 25176 1 1 1 1 10 GLY CYS 0.03 25176 1 1 1 1 10 GLY ARG 0.03 25176 1 1 1 1 10 GLY PHE 0.01 25176 1 1 1 1 12 GLY GLY 0.88 25176 1 1 1 1 12 GLY LEU 0.06 25176 1 1 1 1 12 GLY CYS 0.04 25176 1 1 1 1 13 LEU LEU 0.6 25176 1 1 1 1 13 LEU CYS 0.37 25176 1 1 1 1 13 LEU ALA 0.01 25176 1 1 1 1 14 GLU CYS 0.55 25176 1 1 1 1 14 GLU GLU 0.35 25176 1 1 1 1 14 GLU GLN 0.08 25176 1 1 1 1 15 ARG CYS 0.37 25176 1 1 1 1 15 ARG ARG 0.36 25176 1 1 1 1 15 ARG LYS 0.21 25176 1 1 1 1 15 ARG GLY 0.04 25176 1 1 1 1 16 ALA LEU 0.53 25176 1 1 1 1 16 ALA ALA 0.23 25176 1 1 1 1 16 ALA CYS 0.15 25176 1 1 1 1 16 ALA LYS 0.05 25176 1 1 1 1 17 GLU CYS 0.78 25176 1 1 1 1 17 GLU GLU 0.2 25176 1 1 1 1 18 ALA ALA 0.96 25176 1 1 1 1 18 ALA CYS 0.02 25176 1 1 1 1 18 ALA ILE 0.01 25176 1 1 1 1 19 GLY GLY 0.86 25176 1 1 1 1 19 GLY LEU 0.08 25176 1 1 1 1 19 GLY CYS 0.02 25176 1 1 1 1 20 VAL CYS 0.68 25176 1 1 1 1 20 VAL VAL 0.31 25176 1 1 1 1 22 ALA ALA 0.95 25176 1 1 1 1 22 ALA CYS 0.02 25176 1 1 1 1 22 ALA LEU 0.01 25176 1 1 1 1 23 GLU CYS 0.85 25176 1 1 1 1 23 GLU GLU 0.13 25176 1 1 1 1 24 PHE PHE 0.27 25176 1 1 1 1 24 PHE TYR 0.25 25176 1 1 1 1 24 PHE CYS 0.12 25176 1 1 1 1 24 PHE ASP 0.11 25176 1 1 1 1 24 PHE LEU 0.11 25176 1 1 1 1 24 PHE ILE 0.05 25176 1 1 1 1 24 PHE LYS 0.03 25176 1 1 1 1 24 PHE ASN 0.02 25176 1 1 1 1 25 SER SER 0.9 25176 1 1 1 1 25 SER THR 0.09 25176 1 1 1 1 27 TRP TRP 0.16 25176 1 1 1 1 27 TRP GLU 0.16 25176 1 1 1 1 27 TRP CYS 0.15 25176 1 1 1 1 27 TRP ARG 0.14 25176 1 1 1 1 27 TRP HIS 0.14 25176 1 1 1 1 27 TRP GLN 0.11 25176 1 1 1 1 27 TRP LYS 0.07 25176 1 1 1 1 27 TRP ILE 0.02 25176 1 1 1 1 27 TRP VAL 0.01 25176 1 1 1 1 28 THR THR 0.9 25176 1 1 1 1 28 THR CYS 0.09 25176 1 1 1 1 30 GLU GLU 0.4 25176 1 1 1 1 30 GLU CYS 0.34 25176 1 1 1 1 30 GLU LYS 0.1 25176 1 1 1 1 30 GLU GLN 0.07 25176 1 1 1 1 30 GLU ILE 0.05 25176 1 1 1 1 31 ALA ALA 0.77 25176 1 1 1 1 31 ALA LEU 0.14 25176 1 1 1 1 31 ALA CYS 0.06 25176 1 1 1 1 32 GLY GLY 0.48 25176 1 1 1 1 32 GLY LEU 0.24 25176 1 1 1 1 32 GLY ARG 0.13 25176 1 1 1 1 32 GLY CYS 0.04 25176 1 1 1 1 32 GLY PHE 0.03 25176 1 1 1 1 32 GLY ASP 0.02 25176 1 1 1 1 32 GLY TYR 0.01 25176 1 1 1 1 33 ALA ALA 0.96 25176 1 1 1 1 33 ALA CYS 0.02 25176 1 1 1 1 33 ALA LEU 0.01 25176 1 1 1 1 34 GLY GLY 0.88 25176 1 1 1 1 34 GLY LEU 0.07 25176 1 1 1 1 34 GLY CYS 0.03 25176 1 1 1 1 35 GLY GLY 0.57 25176 1 1 1 1 35 GLY LEU 0.21 25176 1 1 1 1 35 GLY ARG 0.09 25176 1 1 1 1 35 GLY CYS 0.04 25176 1 1 1 1 35 GLY PHE 0.02 25176 1 1 1 1 35 GLY ASP 0.02 25176 1 1 1 1 35 GLY TYR 0.01 25176 1 1 1 1 36 LEU GLY 0.55 25176 1 1 1 1 36 LEU LEU 0.27 25176 1 1 1 1 36 LEU CYS 0.17 25176 1 1 1 1 37 ALA ALA 0.51 25176 1 1 1 1 37 ALA LEU 0.35 25176 1 1 1 1 37 ALA CYS 0.1 25176 1 1 1 1 37 ALA LYS 0.01 25176 1 1 1 1 39 ALA ALA 0.44 25176 1 1 1 1 39 ALA LEU 0.39 25176 1 1 1 1 39 ALA CYS 0.12 25176 1 1 1 1 39 ALA LYS 0.02 25176 1 1 1 1 40 VAL VAL 0.64 25176 1 1 1 1 40 VAL CYS 0.35 25176 1 1 1 1 41 GLU CYS 0.74 25176 1 1 1 1 41 GLU GLU 0.22 25176 1 1 1 1 41 GLU GLN 0.03 25176 1 1 1 1 42 GLY GLY 0.87 25176 1 1 1 1 42 GLY LEU 0.07 25176 1 1 1 1 42 GLY CYS 0.03 25176 1 1 1 1 44 SER SER 0.94 25176 1 1 1 1 44 SER THR 0.05 25176 1 1 1 1 45 LYS CYS 0.4 25176 1 1 1 1 45 LYS LYS 0.34 25176 1 1 1 1 45 LYS ARG 0.24 25176 1 1 1 1 46 ALA ALA 0.87 25176 1 1 1 1 46 ALA LEU 0.07 25176 1 1 1 1 46 ALA CYS 0.05 25176 1 1 1 1 47 GLU GLU 0.4 25176 1 1 1 1 47 GLU CYS 0.35 25176 1 1 1 1 47 GLU GLN 0.16 25176 1 1 1 1 47 GLU LYS 0.07 25176 1 1 1 1 49 SER SER 0.98 25176 1 1 1 1 49 SER THR 0.01 25176 1 1 1 1 50 PHE ARG 0.27 25176 1 1 1 1 50 PHE LEU 0.24 25176 1 1 1 1 50 PHE LYS 0.14 25176 1 1 1 1 50 PHE PHE 0.09 25176 1 1 1 1 50 PHE ASP 0.08 25176 1 1 1 1 50 PHE TYR 0.06 25176 1 1 1 1 50 PHE CYS 0.05 25176 1 1 1 1 50 PHE GLY 0.01 25176 1 1 1 1 51 GLU CYS 0.72 25176 1 1 1 1 51 GLU GLU 0.21 25176 1 1 1 1 51 GLU GLN 0.05 25176 1 1 1 1 52 ASP ASP 0.3 25176 1 1 1 1 52 ASP LEU 0.22 25176 1 1 1 1 52 ASP LYS 0.11 25176 1 1 1 1 52 ASP PHE 0.1 25176 1 1 1 1 52 ASP ASN 0.09 25176 1 1 1 1 52 ASP TYR 0.07 25176 1 1 1 1 52 ASP CYS 0.05 25176 1 1 1 1 52 ASP ARG 0.01 25176 1 1 1 1 53 ARG CYS 0.4 25176 1 1 1 1 53 ARG LYS 0.36 25176 1 1 1 1 53 ARG ARG 0.22 25176 1 1 1 1 54 LYS CYS 0.42 25176 1 1 1 1 54 LYS LYS 0.33 25176 1 1 1 1 54 LYS ARG 0.22 25176 1 1 1 1 55 ASP ASP 0.36 25176 1 1 1 1 55 ASP ASN 0.23 25176 1 1 1 1 55 ASP LEU 0.17 25176 1 1 1 1 55 ASP PHE 0.06 25176 1 1 1 1 55 ASP CYS 0.05 25176 1 1 1 1 55 ASP TYR 0.05 25176 1 1 1 1 55 ASP LYS 0.04 25176 1 1 1 1 56 GLY GLY 0.85 25176 1 1 1 1 56 GLY LEU 0.08 25176 1 1 1 1 56 GLY CYS 0.02 25176 1 1 1 1 57 SER SER 0.78 25176 1 1 1 1 57 SER THR 0.21 25176 1 1 1 1 58 CYS GLU 0.15 25176 1 1 1 1 58 CYS TRP 0.15 25176 1 1 1 1 58 CYS HIS 0.15 25176 1 1 1 1 58 CYS ARG 0.14 25176 1 1 1 1 58 CYS GLN 0.13 25176 1 1 1 1 58 CYS CYS 0.13 25176 1 1 1 1 58 CYS LYS 0.09 25176 1 1 1 1 58 CYS ILE 0.01 25176 1 1 1 1 59 GLY GLY 0.81 25176 1 1 1 1 59 GLY LEU 0.1 25176 1 1 1 1 59 GLY CYS 0.03 25176 1 1 1 1 59 GLY ARG 0.01 25176 1 1 1 1 59 GLY PHE 0.01 25176 1 1 1 1 60 VAL CYS 0.54 25176 1 1 1 1 60 VAL VAL 0.44 25176 1 1 1 1 61 ALA ALA 0.7 25176 1 1 1 1 61 ALA LEU 0.18 25176 1 1 1 1 61 ALA CYS 0.1 25176 1 1 1 1 62 TYR LEU 0.32 25176 1 1 1 1 62 TYR ARG 0.29 25176 1 1 1 1 62 TYR ASP 0.12 25176 1 1 1 1 62 TYR LYS 0.05 25176 1 1 1 1 62 TYR PHE 0.05 25176 1 1 1 1 62 TYR GLY 0.05 25176 1 1 1 1 62 TYR CYS 0.04 25176 1 1 1 1 62 TYR TYR 0.03 25176 1 1 1 1 63 VAL CYS 0.59 25176 1 1 1 1 63 VAL VAL 0.36 25176 1 1 1 1 63 VAL ILE 0.03 25176 1 1 1 1 64 VAL CYS 0.89 25176 1 1 1 1 64 VAL VAL 0.08 25176 1 1 1 1 64 VAL ALA 0.01 25176 1 1 1 1 65 GLN CYS 0.38 25176 1 1 1 1 65 GLN GLN 0.31 25176 1 1 1 1 65 GLN LYS 0.25 25176 1 1 1 1 65 GLN GLU 0.02 25176 1 1 1 1 65 GLN ARG 0.01 25176 1 1 1 1 66 GLU CYS 0.58 25176 1 1 1 1 66 GLU GLN 0.24 25176 1 1 1 1 66 GLU GLU 0.15 25176 1 1 1 1 66 GLU LYS 0.01 25176 1 1 1 1 68 GLY GLY 0.53 25176 1 1 1 1 68 GLY LEU 0.23 25176 1 1 1 1 68 GLY ARG 0.11 25176 1 1 1 1 68 GLY CYS 0.04 25176 1 1 1 1 68 GLY PHE 0.02 25176 1 1 1 1 68 GLY ASP 0.02 25176 1 1 1 1 68 GLY TYR 0.01 25176 1 1 1 1 69 ASP ASP 0.29 25176 1 1 1 1 69 ASP LEU 0.25 25176 1 1 1 1 69 ASP LYS 0.15 25176 1 1 1 1 69 ASP PHE 0.07 25176 1 1 1 1 69 ASP ASN 0.06 25176 1 1 1 1 69 ASP TYR 0.05 25176 1 1 1 1 69 ASP CYS 0.04 25176 1 1 1 1 69 ASP ARG 0.04 25176 1 1 1 1 70 TYR PHE 0.22 25176 1 1 1 1 70 TYR TYR 0.19 25176 1 1 1 1 70 TYR ASP 0.17 25176 1 1 1 1 70 TYR LEU 0.15 25176 1 1 1 1 70 TYR CYS 0.1 25176 1 1 1 1 70 TYR LYS 0.06 25176 1 1 1 1 70 TYR ASN 0.04 25176 1 1 1 1 70 TYR ILE 0.03 25176 1 1 1 1 71 GLU CYS 0.74 25176 1 1 1 1 71 GLU GLU 0.24 25176 1 1 1 1 72 VAL VAL 0.6 25176 1 1 1 1 72 VAL CYS 0.39 25176 1 1 1 1 73 SER SER 0.99 25176 1 1 1 1 74 VAL VAL 0.61 25176 1 1 1 1 74 VAL CYS 0.38 25176 1 1 1 1 75 LYS CYS 0.99 25176 1 1 1 1 76 PHE ARG 0.3 25176 1 1 1 1 76 PHE LEU 0.27 25176 1 1 1 1 76 PHE LYS 0.1 25176 1 1 1 1 76 PHE ASP 0.09 25176 1 1 1 1 76 PHE PHE 0.08 25176 1 1 1 1 76 PHE CYS 0.05 25176 1 1 1 1 76 PHE TYR 0.05 25176 1 1 1 1 76 PHE GLY 0.02 25176 1 1 1 1 77 ASN ASN 0.26 25176 1 1 1 1 77 ASN CYS 0.25 25176 1 1 1 1 77 ASN GLU 0.21 25176 1 1 1 1 77 ASN TYR 0.1 25176 1 1 1 1 77 ASN PHE 0.06 25176 1 1 1 1 77 ASN LYS 0.02 25176 1 1 1 1 77 ASN ASP 0.02 25176 1 1 1 1 77 ASN ILE 0.01 25176 1 1 1 1 77 ASN GLN 0.01 25176 1 1 1 1 78 GLU CYS 0.45 25176 1 1 1 1 78 GLU GLU 0.22 25176 1 1 1 1 78 GLU ILE 0.21 25176 1 1 1 1 78 GLU GLN 0.04 25176 1 1 1 1 78 GLU LYS 0.04 25176 1 1 1 1 78 GLU ARG 0.01 25176 1 1 1 1 79 GLU CYS 0.62 25176 1 1 1 1 79 GLU GLU 0.32 25176 1 1 1 1 79 GLU GLN 0.04 25176 1 1 1 1 80 HIS CYS 0.25 25176 1 1 1 1 80 HIS LYS 0.16 25176 1 1 1 1 80 HIS VAL 0.12 25176 1 1 1 1 80 HIS TRP 0.11 25176 1 1 1 1 80 HIS ARG 0.1 25176 1 1 1 1 80 HIS HIS 0.08 25176 1 1 1 1 80 HIS GLU 0.07 25176 1 1 1 1 80 HIS GLN 0.06 25176 1 1 1 1 83 ASP PHE 0.27 25176 1 1 1 1 83 ASP TYR 0.26 25176 1 1 1 1 83 ASP CYS 0.13 25176 1 1 1 1 83 ASP ASP 0.11 25176 1 1 1 1 83 ASP LEU 0.09 25176 1 1 1 1 83 ASP ILE 0.06 25176 1 1 1 1 83 ASP ASN 0.03 25176 1 1 1 1 83 ASP LYS 0.01 25176 1 1 1 1 84 SER SER 0.99 25176 1 1 1 1 86 PHE PHE 0.24 25176 1 1 1 1 86 PHE TYR 0.21 25176 1 1 1 1 86 PHE ASP 0.15 25176 1 1 1 1 86 PHE LEU 0.14 25176 1 1 1 1 86 PHE CYS 0.1 25176 1 1 1 1 86 PHE LYS 0.05 25176 1 1 1 1 86 PHE ILE 0.03 25176 1 1 1 1 86 PHE ASN 0.03 25176 1 1 1 1 87 VAL VAL 0.69 25176 1 1 1 1 87 VAL CYS 0.3 25176 1 1 1 1 88 VAL CYS 0.82 25176 1 1 1 1 88 VAL VAL 0.17 25176 1 1 1 1 90 VAL VAL 0.66 25176 1 1 1 1 90 VAL CYS 0.33 25176 1 1 1 1 91 ALA ALA 0.74 25176 1 1 1 1 91 ALA LEU 0.17 25176 1 1 1 1 91 ALA CYS 0.07 25176 1 1 1 1 92 SER SER 0.99 25176 1 1 1 1 94 SER SER 0.99 25176 1 1 1 1 95 GLY GLY 0.88 25176 1 1 1 1 95 GLY LEU 0.06 25176 1 1 1 1 95 GLY CYS 0.04 25176 1 1 1 3 1 LYS CYS 0.73 25176 1 1 1 3 1 LYS ARG 0.22 25176 1 1 1 3 1 LYS LYS 0.03 25176 1 1 1 3 2 LYS CYS 0.73 25176 1 1 1 3 2 LYS ARG 0.22 25176 1 1 1 3 2 LYS LYS 0.03 25176 1 1 1 3 3 LYS CYS 0.73 25176 1 1 1 3 3 LYS ARG 0.22 25176 1 1 1 3 3 LYS LYS 0.03 25176 1 1 1 3 4 ILE CYS 0.99 25176 1 1 1 3 5 THR THR 0.99 25176 1 1 1 3 6 ILE CYS 0.99 25176 1 1 1 3 7 HIS LYS 0.23 25176 1 1 1 3 7 HIS GLN 0.23 25176 1 1 1 3 7 HIS CYS 0.22 25176 1 1 1 3 7 HIS ARG 0.08 25176 1 1 1 3 7 HIS HIS 0.08 25176 1 1 1 3 7 HIS TRP 0.05 25176 1 1 1 3 7 HIS GLU 0.03 25176 1 1 1 3 7 HIS VAL 0.02 25176 1 1 1 3 8 ASP ASP 0.25 25176 1 1 1 3 8 ASP LEU 0.24 25176 1 1 1 3 8 ASP LYS 0.17 25176 1 1 1 3 8 ASP PHE 0.09 25176 1 1 1 3 8 ASP TYR 0.07 25176 1 1 1 3 8 ASP CYS 0.05 25176 1 1 1 3 8 ASP ASN 0.05 25176 1 1 1 3 8 ASP ARG 0.04 25176 1 1 1 3 9 ARG TRP 0.15 25176 1 1 1 3 9 ARG ARG 0.15 25176 1 1 1 3 9 ARG GLU 0.15 25176 1 1 1 3 9 ARG CYS 0.15 25176 1 1 1 3 9 ARG HIS 0.15 25176 1 1 1 3 9 ARG GLN 0.11 25176 1 1 1 3 9 ARG LYS 0.07 25176 1 1 1 3 9 ARG VAL 0.01 25176 1 1 1 3 9 ARG ILE 0.01 25176 1 1 1 3 10 LYS CYS 0.67 25176 1 1 1 3 10 LYS ARG 0.22 25176 1 1 1 3 10 LYS LYS 0.1 25176 1 1 1 3 11 GLU GLU 0.42 25176 1 1 1 3 11 GLU CYS 0.39 25176 1 1 1 3 11 GLU LYS 0.06 25176 1 1 1 3 11 GLU GLN 0.06 25176 1 1 1 3 11 GLU ILE 0.05 25176 1 1 1 3 12 PHE TYR 0.29 25176 1 1 1 3 12 PHE PHE 0.29 25176 1 1 1 3 12 PHE ILE 0.18 25176 1 1 1 3 12 PHE CYS 0.15 25176 1 1 1 3 12 PHE LEU 0.02 25176 1 1 1 3 12 PHE ASP 0.02 25176 1 1 1 3 13 ALA ALA 0.94 25176 1 1 1 3 13 ALA CYS 0.03 25176 1 1 1 3 13 ALA LEU 0.01 25176 1 1 1 3 14 LYS CYS 0.53 25176 1 1 1 3 14 LYS ARG 0.42 25176 1 1 1 3 14 LYS GLY 0.04 25176 1 1 1 3 15 PHE TYR 0.29 25176 1 1 1 3 15 PHE PHE 0.28 25176 1 1 1 3 15 PHE ILE 0.21 25176 1 1 1 3 15 PHE CYS 0.16 25176 1 1 1 3 15 PHE LEU 0.02 25176 1 1 1 3 15 PHE ASP 0.01 25176 1 1 1 3 16 GLU GLU 0.41 25176 1 1 1 3 16 GLU CYS 0.39 25176 1 1 1 3 16 GLU ILE 0.07 25176 1 1 1 3 16 GLU LYS 0.06 25176 1 1 1 3 16 GLU GLN 0.05 25176 1 1 1 3 17 GLU GLU 0.41 25176 1 1 1 3 17 GLU CYS 0.39 25176 1 1 1 3 17 GLU ILE 0.07 25176 1 1 1 3 17 GLU LYS 0.06 25176 1 1 1 3 17 GLU GLN 0.05 25176 1 1 1 3 18 GLU GLU 0.42 25176 1 1 1 3 18 GLU CYS 0.4 25176 1 1 1 3 18 GLU LYS 0.05 25176 1 1 1 3 18 GLU GLN 0.05 25176 1 1 1 3 18 GLU ILE 0.05 25176 1 1 1 3 19 ARG ARG 0.45 25176 1 1 1 3 19 ARG CYS 0.43 25176 1 1 1 3 19 ARG LYS 0.07 25176 1 1 1 3 19 ARG GLY 0.04 25176 1 1 1 3 20 ALA ALA 0.94 25176 1 1 1 3 20 ALA CYS 0.03 25176 1 1 1 3 21 ARG CYS 0.39 25176 1 1 1 3 21 ARG ARG 0.35 25176 1 1 1 3 21 ARG LYS 0.2 25176 1 1 1 3 21 ARG GLY 0.03 25176 1 1 1 3 22 ALA ALA 0.95 25176 1 1 1 3 22 ALA CYS 0.03 25176 1 1 1 3 23 LYS CYS 0.57 25176 1 1 1 3 23 LYS ARG 0.37 25176 1 1 1 3 23 LYS GLY 0.05 25176 1 1 1 3 25 ASP ASP 0.26 25176 1 1 1 3 25 ASP LEU 0.23 25176 1 1 1 3 25 ASP LYS 0.15 25176 1 1 1 3 25 ASP PHE 0.1 25176 1 1 1 3 25 ASP TYR 0.08 25176 1 1 1 3 25 ASP ASN 0.06 25176 1 1 1 3 25 ASP CYS 0.05 25176 1 1 1 3 25 ASP ARG 0.02 25176 1 1 1 3 26 THR THR 0.93 25176 1 1 1 3 26 THR CYS 0.06 25176 1 1 1 3 27 ALA ALA 0.94 25176 1 1 1 3 27 ALA CYS 0.03 25176 1 1 1 3 27 ALA LEU 0.01 25176 1 1 1 3 28 ASN ASN 0.4 25176 1 1 1 3 28 ASN ASP 0.24 25176 1 1 1 3 28 ASN PHE 0.09 25176 1 1 1 3 28 ASN TYR 0.08 25176 1 1 1 3 28 ASN CYS 0.08 25176 1 1 1 3 28 ASN LEU 0.07 25176 1 1 1 3 29 ASN ASN 0.57 25176 1 1 1 3 29 ASN ASP 0.21 25176 1 1 1 3 29 ASN CYS 0.07 25176 1 1 1 3 29 ASN LEU 0.05 25176 1 1 1 3 29 ASN PHE 0.04 25176 1 1 1 3 29 ASN TYR 0.03 25176 1 1 1 3 31 LEU LEU 0.62 25176 1 1 1 3 31 LEU CYS 0.31 25176 1 1 1 3 31 LEU ALA 0.02 25176 1 1 1 3 31 LEU GLY 0.01 25176 1 1 1 3 31 LEU ARG 0.01 25176 1 1 1 3 32 TYR TYR 0.3 25176 1 1 1 3 32 TYR PHE 0.27 25176 1 1 1 3 32 TYR CYS 0.17 25176 1 1 1 3 32 TYR ILE 0.12 25176 1 1 1 3 32 TYR ASP 0.04 25176 1 1 1 3 32 TYR LEU 0.03 25176 1 1 1 3 32 TYR ASN 0.01 25176 1 1 1 3 32 TYR GLU 0.01 25176 1 1 1 3 33 LYS ARG 0.45 25176 1 1 1 3 33 LYS CYS 0.4 25176 1 1 1 3 33 LYS LYS 0.09 25176 1 1 1 3 33 LYS GLY 0.03 25176 1 1 1 3 34 GLU GLU 0.42 25176 1 1 1 3 34 GLU CYS 0.37 25176 1 1 1 3 34 GLU GLN 0.1 25176 1 1 1 3 34 GLU LYS 0.07 25176 1 1 1 3 34 GLU ILE 0.02 25176 1 1 1 3 35 ALA ALA 0.95 25176 1 1 1 3 35 ALA CYS 0.02 25176 1 1 1 3 35 ALA LEU 0.01 25176 1 1 1 3 36 THR THR 0.92 25176 1 1 1 3 36 THR CYS 0.07 25176 1 1 1 3 37 SER SER 0.99 25176 1 1 1 3 38 THR THR 0.93 25176 1 1 1 3 38 THR CYS 0.06 25176 1 1 1 3 39 PHE PHE 0.3 25176 1 1 1 3 39 PHE TYR 0.29 25176 1 1 1 3 39 PHE CYS 0.14 25176 1 1 1 3 39 PHE ILE 0.11 25176 1 1 1 3 39 PHE LEU 0.06 25176 1 1 1 3 39 PHE ASP 0.05 25176 1 1 1 3 39 PHE ASN 0.01 25176 1 1 1 3 39 PHE LYS 0.01 25176 1 1 1 3 40 THR THR 0.92 25176 1 1 1 3 40 THR CYS 0.07 25176 1 1 1 3 41 ASN ASN 0.42 25176 1 1 1 3 41 ASN ASP 0.21 25176 1 1 1 3 41 ASN PHE 0.09 25176 1 1 1 3 41 ASN TYR 0.09 25176 1 1 1 3 41 ASN CYS 0.09 25176 1 1 1 3 41 ASN LEU 0.06 25176 1 1 1 3 42 ILE CYS 0.99 25176 1 1 1 3 43 THR THR 0.92 25176 1 1 1 3 43 THR CYS 0.07 25176 1 1 1 3 44 TYR TYR 0.3 25176 1 1 1 3 44 TYR PHE 0.28 25176 1 1 1 3 44 TYR CYS 0.17 25176 1 1 1 3 44 TYR ILE 0.16 25176 1 1 1 3 44 TYR LEU 0.02 25176 1 1 1 3 44 TYR ASP 0.02 25176 1 1 1 3 44 TYR GLU 0.01 25176 1 1 1 3 45 ARG LYS 0.4 25176 1 1 1 3 45 ARG CYS 0.4 25176 1 1 1 3 45 ARG ARG 0.19 25176 1 1 1 3 46 GLY GLY 0.87 25176 1 1 1 3 46 GLY LEU 0.07 25176 1 1 1 3 46 GLY CYS 0.03 25176 1 1 1 3 47 THR THR 0.93 25176 1 1 1 3 47 THR CYS 0.06 25176 1 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 25176 _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 25176 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID "validate protein chemical shift assignments" 25176 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $AVS_citation 25176 1 stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 25176 _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_