data_25037 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25037 _Entry.PDB_ID 2MQK save_ save_delta_chem_shifts _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts _Entity_delta_chem_shifts.Model_type single _Entity_delta_chem_shifts.Entry_ID 25037 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.586 -0.030 25037 2 1 1 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.471 0.728 25037 3 1 1 . 1 1 0 0 PRO CB C 0 32.310 32.310 30.888 1.422 25037 4 1 1 . 1 1 1 1 MET N N 1 122.140 122.140 122.261 -0.121 25037 5 1 1 . 1 1 1 1 MET HA H 1 4.507 4.507 4.202 0.305 25037 6 1 1 . 1 1 1 1 MET CB C 1 34.854 34.854 32.886 1.968 25037 7 1 1 . 1 1 1 1 MET H H 1 8.665 8.665 7.975 0.690 25037 8 1 1 . 1 1 2 2 ASN N N 2 121.514 121.514 120.338 1.176 25037 9 1 1 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.815 -0.008 25037 10 1 1 . 1 1 2 2 ASN CB C 2 39.205 39.205 39.917 -0.712 25037 11 1 1 . 1 1 2 2 ASN H H 2 8.927 8.927 8.598 0.329 25037 12 1 1 . 1 1 3 3 ILE N N 3 123.748 123.748 122.360 1.388 25037 13 1 1 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.820 0.139 25037 14 1 1 . 1 1 3 3 ILE CA C 3 65.293 65.293 64.991 0.302 25037 15 1 1 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.738 0.366 25037 16 1 1 . 1 1 3 3 ILE H H 3 8.721 8.721 8.667 0.054 25037 17 1 1 . 1 1 4 4 SER N N 4 115.783 115.783 115.680 0.103 25037 18 1 1 . 1 1 4 4 SER HA H 4 4.147 4.147 3.990 0.157 25037 19 1 1 . 1 1 4 4 SER CA C 4 61.528 61.528 61.751 -0.223 25037 20 1 1 . 1 1 4 4 SER CB C 4 62.284 62.284 62.586 -0.302 25037 21 1 1 . 1 1 4 4 SER H H 4 8.386 8.386 8.481 -0.095 25037 22 1 1 . 1 1 5 5 ASP N N 5 122.493 122.493 122.587 -0.094 25037 23 1 1 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.461 0.162 25037 24 1 1 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.790 0.052 25037 25 1 1 . 1 1 5 5 ASP H H 5 7.855 7.855 7.766 0.089 25037 26 1 1 . 1 1 6 6 ILE N N 6 123.982 123.982 119.820 4.162 25037 27 1 1 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.782 0.015 25037 28 1 1 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.568 -0.796 25037 29 1 1 . 1 1 6 6 ILE CB C 6 38.324 38.324 37.988 0.336 25037 30 1 1 . 1 1 6 6 ILE H H 6 8.048 8.048 7.641 0.407 25037 31 1 1 . 1 1 7 7 ARG N N 7 118.105 118.105 119.203 -1.098 25037 32 1 1 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.164 -0.347 25037 33 1 1 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.311 0.421 25037 34 1 1 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.376 0.671 25037 35 1 1 . 1 1 7 7 ARG H H 7 8.285 8.285 8.061 0.224 25037 36 1 1 . 1 1 8 8 ALA N N 8 118.807 118.807 120.986 -2.179 25037 37 1 1 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.225 -0.102 25037 38 1 1 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.589 0.504 25037 39 1 1 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.176 0.377 25037 40 1 1 . 1 1 8 8 ALA H H 8 8.093 8.093 8.053 0.040 25037 41 1 1 . 1 1 9 9 GLY N N 9 107.079 107.079 107.506 -0.427 25037 42 1 1 . 1 1 9 9 GLY CA C 9 47.084 47.084 46.332 0.752 25037 43 1 1 . 1 1 9 9 GLY H H 9 8.358 8.358 7.715 0.643 25037 44 1 1 . 1 1 10 10 LEU N N 10 121.077 121.077 122.848 -1.771 25037 45 1 1 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.927 0.203 25037 46 1 1 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.764 0.215 25037 47 1 1 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.533 1.119 25037 48 1 1 . 1 1 10 10 LEU H H 10 8.116 8.116 7.749 0.367 25037 49 1 1 . 1 1 11 11 ARG N N 11 118.227 118.227 118.114 0.113 25037 50 1 1 . 1 1 11 11 ARG HA H 11 3.803 3.803 3.977 -0.174 25037 51 1 1 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.552 0.873 25037 52 1 1 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.217 1.104 25037 53 1 1 . 1 1 11 11 ARG H H 11 8.472 8.472 7.990 0.482 25037 54 1 1 . 1 1 12 12 THR N N 12 114.121 114.121 117.297 -3.176 25037 55 1 1 . 1 1 12 12 THR HA H 12 3.965 3.965 4.014 -0.049 25037 56 1 1 . 1 1 12 12 THR CA C 12 66.730 66.730 66.150 0.580 25037 57 1 1 . 1 1 12 12 THR CB C 12 69.178 69.178 68.469 0.709 25037 58 1 1 . 1 1 12 12 THR H H 12 8.180 8.180 7.526 0.654 25037 59 1 1 . 1 1 13 13 LEU N N 13 119.606 119.606 120.792 -1.186 25037 60 1 1 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.038 0.062 25037 61 1 1 . 1 1 13 13 LEU CA C 13 58.068 58.068 57.947 0.121 25037 62 1 1 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.762 1.257 25037 63 1 1 . 1 1 13 13 LEU H H 13 7.156 7.156 7.644 -0.488 25037 64 1 1 . 1 1 14 14 VAL N N 14 117.777 117.777 115.584 2.193 25037 65 1 1 . 1 1 14 14 VAL HA H 14 3.808 3.808 3.987 -0.179 25037 66 1 1 . 1 1 14 14 VAL CA C 14 65.464 65.464 65.078 0.386 25037 67 1 1 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.106 0.789 25037 68 1 1 . 1 1 14 14 VAL H H 14 7.785 7.785 7.776 0.009 25037 69 1 1 . 1 1 15 15 GLU N N 15 123.041 123.041 121.556 1.485 25037 70 1 1 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.059 0.010 25037 71 1 1 . 1 1 15 15 GLU CA C 15 57.624 57.624 59.218 -1.594 25037 72 1 1 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.301 -0.105 25037 73 1 1 . 1 1 15 15 GLU H H 15 8.961 8.961 8.566 0.395 25037 74 1 1 . 1 1 16 16 ASN N N 16 114.935 114.935 114.767 0.168 25037 75 1 1 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.904 -0.077 25037 76 1 1 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.013 -0.487 25037 77 1 1 . 1 1 16 16 ASN H H 16 7.863 7.863 7.633 0.230 25037 78 1 1 . 1 1 17 17 GLU N N 17 113.841 113.841 115.410 -1.569 25037 79 1 1 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.920 0.150 25037 80 1 1 . 1 1 17 17 GLU CA C 17 57.624 57.624 58.028 -0.404 25037 81 1 1 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.504 1.640 25037 82 1 1 . 1 1 17 17 GLU H H 17 8.008 8.008 7.976 0.032 25037 83 1 1 . 1 1 18 18 GLU N N 18 117.787 117.787 116.062 1.725 25037 84 1 1 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.181 0.129 25037 85 1 1 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.286 -0.033 25037 86 1 1 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.385 -0.008 25037 87 1 1 . 1 1 18 18 GLU H H 18 8.517 8.517 8.202 0.315 25037 88 1 1 . 1 1 19 19 THR N N 19 110.292 110.292 110.162 0.130 25037 89 1 1 . 1 1 19 19 THR HA H 19 4.562 4.562 4.660 -0.098 25037 90 1 1 . 1 1 19 19 THR CB C 19 68.196 68.196 69.591 -1.395 25037 91 1 1 . 1 1 19 19 THR H H 19 7.457 7.457 7.290 0.167 25037 92 1 1 . 1 1 20 20 THR N N 20 109.626 109.626 112.984 -3.358 25037 93 1 1 . 1 1 20 20 THR HA H 20 4.633 4.633 4.585 0.048 25037 94 1 1 . 1 1 20 20 THR H H 20 8.188 8.188 8.175 0.013 25037 95 1 1 . 1 1 21 21 PHE N N 21 118.935 118.935 122.943 -4.008 25037 96 1 1 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.020 0.218 25037 97 1 1 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.411 -2.144 25037 98 1 1 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.191 -0.395 25037 99 1 1 . 1 1 21 21 PHE H H 21 8.714 8.714 8.724 -0.010 25037 100 1 1 . 1 1 22 22 LYS N N 22 116.962 116.962 118.141 -1.179 25037 101 1 1 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.963 -0.082 25037 102 1 1 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.346 0.243 25037 103 1 1 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.467 1.046 25037 104 1 1 . 1 1 22 22 LYS H H 22 8.234 8.234 8.376 -0.142 25037 105 1 1 . 1 1 23 23 GLN N N 23 121.042 121.042 119.858 1.184 25037 106 1 1 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.121 -0.146 25037 107 1 1 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.236 0.738 25037 108 1 1 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.351 -0.411 25037 109 1 1 . 1 1 23 23 GLN H H 23 7.859 7.859 7.621 0.238 25037 110 1 1 . 1 1 24 24 ILE N N 24 118.125 118.125 119.872 -1.747 25037 111 1 1 . 1 1 24 24 ILE HA H 24 2.842 2.842 2.909 -0.067 25037 112 1 1 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.059 0.035 25037 113 1 1 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.054 0.724 25037 114 1 1 . 1 1 24 24 ILE H H 24 7.871 7.871 8.294 -0.424 25037 115 1 1 . 1 1 25 25 ALA N N 25 125.380 125.380 123.171 2.209 25037 116 1 1 . 1 1 25 25 ALA HA H 25 3.855 3.855 3.975 -0.120 25037 117 1 1 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.848 1.134 25037 118 1 1 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.543 0.771 25037 119 1 1 . 1 1 25 25 ALA H H 25 8.452 8.452 8.216 0.236 25037 120 1 1 . 1 1 26 26 LEU N N 26 119.285 119.285 119.162 0.123 25037 121 1 1 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.979 0.062 25037 122 1 1 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.907 0.069 25037 123 1 1 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.789 0.548 25037 124 1 1 . 1 1 26 26 LEU H H 26 7.936 7.936 8.122 -0.186 25037 125 1 1 . 1 1 27 27 GLU N N 27 115.748 115.748 117.138 -1.390 25037 126 1 1 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.190 0.019 25037 127 1 1 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.787 -0.544 25037 128 1 1 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.098 0.738 25037 129 1 1 . 1 1 27 27 GLU H H 27 8.050 8.050 8.605 -0.555 25037 130 1 1 . 1 1 28 28 SER N N 28 113.421 113.421 111.810 1.611 25037 131 1 1 . 1 1 28 28 SER HA H 28 4.597 4.597 4.440 0.157 25037 132 1 1 . 1 1 28 28 SER CB C 28 65.743 65.743 64.661 1.082 25037 133 1 1 . 1 1 28 28 SER H H 28 8.476 8.476 8.138 0.338 25037 134 1 1 . 1 1 29 29 GLY N N 29 112.001 112.001 111.135 0.866 25037 135 1 1 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.599 0.294 25037 136 1 1 . 1 1 29 29 GLY H H 29 8.074 8.074 8.015 0.059 25037 137 1 1 . 1 1 30 30 LEU N N 30 120.750 120.750 119.396 1.354 25037 138 1 1 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.469 0.140 25037 139 1 1 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.937 1.240 25037 140 1 1 . 1 1 30 30 LEU H H 30 7.545 7.545 7.279 0.266 25037 141 1 1 . 1 1 31 31 SER N N 31 113.993 113.993 114.628 -0.635 25037 142 1 1 . 1 1 31 31 SER HA H 31 4.568 4.568 4.708 -0.140 25037 143 1 1 . 1 1 31 31 SER CB C 31 64.928 64.928 64.959 -0.031 25037 144 1 1 . 1 1 31 31 SER H H 31 8.326 8.326 8.460 -0.134 25037 145 1 1 . 1 1 32 32 THR HA H 32 3.606 3.606 4.019 -0.413 25037 146 1 1 . 1 1 32 32 THR CA C 32 66.547 66.547 65.237 1.310 25037 147 1 1 . 1 1 32 32 THR CB C 32 67.740 67.740 68.669 -0.929 25037 148 1 1 . 1 1 33 33 GLY CA C 33 46.761 46.761 47.197 -0.436 25037 149 1 1 . 1 1 33 33 GLY H H 33 7.877 7.877 8.493 -0.616 25037 150 1 1 . 1 1 34 34 THR N N 34 121.948 121.948 119.908 2.040 25037 151 1 1 . 1 1 34 34 THR HA H 34 3.737 3.737 3.673 0.064 25037 152 1 1 . 1 1 34 34 THR CA C 34 66.578 66.578 66.802 -0.224 25037 153 1 1 . 1 1 34 34 THR CB C 34 67.956 67.956 68.352 -0.396 25037 154 1 1 . 1 1 34 34 THR H H 34 7.877 7.877 7.201 0.676 25037 155 1 1 . 1 1 35 35 ILE N N 35 120.301 120.301 121.027 -0.726 25037 156 1 1 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.497 -0.298 25037 157 1 1 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.606 -0.092 25037 158 1 1 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.638 0.231 25037 159 1 1 . 1 1 35 35 ILE H H 35 7.750 7.750 7.363 0.387 25037 160 1 1 . 1 1 36 36 SER N N 36 113.120 113.120 115.397 -2.277 25037 161 1 1 . 1 1 36 36 SER HA H 36 3.535 3.535 4.228 -0.693 25037 162 1 1 . 1 1 36 36 SER CA C 36 61.365 61.365 61.768 -0.403 25037 163 1 1 . 1 1 36 36 SER CB C 36 62.114 62.114 61.957 0.157 25037 164 1 1 . 1 1 36 36 SER H H 36 8.322 8.322 7.780 0.542 25037 165 1 1 . 1 1 37 37 SER N N 37 116.941 116.941 118.376 -1.435 25037 166 1 1 . 1 1 37 37 SER HA H 37 4.196 4.196 4.300 -0.103 25037 167 1 1 . 1 1 37 37 SER CA C 37 61.201 61.201 61.618 -0.417 25037 168 1 1 . 1 1 37 37 SER CB C 37 63.821 63.821 63.145 0.676 25037 169 1 1 . 1 1 37 37 SER H H 37 8.096 8.096 7.912 0.184 25037 170 1 1 . 1 1 38 38 PHE N N 38 123.225 123.225 123.797 -0.572 25037 171 1 1 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.431 -0.077 25037 172 1 1 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.430 0.469 25037 173 1 1 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.147 0.163 25037 174 1 1 . 1 1 38 38 PHE H H 38 8.541 8.541 8.589 -0.048 25037 175 1 1 . 1 1 39 39 ILE N N 39 121.189 121.189 119.070 2.119 25037 176 1 1 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.648 -0.218 25037 177 1 1 . 1 1 39 39 ILE CA C 39 65.804 65.804 64.883 0.921 25037 178 1 1 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.788 0.070 25037 179 1 1 . 1 1 39 39 ILE H H 39 8.619 8.619 8.441 0.178 25037 180 1 1 . 1 1 40 40 ASN N N 40 115.447 115.447 114.985 0.462 25037 181 1 1 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.667 -0.019 25037 182 1 1 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.355 0.888 25037 183 1 1 . 1 1 40 40 ASN H H 40 7.547 7.547 8.175 -0.628 25037 184 1 1 . 1 1 41 41 ASP N N 41 119.335 119.335 116.380 2.955 25037 185 1 1 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.317 0.076 25037 186 1 1 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.492 -0.961 25037 187 1 1 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.396 0.185 25037 188 1 1 . 1 1 41 41 ASP H H 41 7.933 7.933 7.715 0.218 25037 189 1 1 . 1 1 42 42 LYS N N 42 117.025 117.025 115.226 1.799 25037 190 1 1 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.431 0.089 25037 191 1 1 . 1 1 42 42 LYS CB C 42 33.693 33.693 34.575 -0.882 25037 192 1 1 . 1 1 42 42 LYS H H 42 8.418 8.418 8.242 0.176 25037 193 1 1 . 1 1 43 43 TYR N N 43 122.804 122.804 122.557 0.247 25037 194 1 1 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.305 0.358 25037 195 1 1 . 1 1 43 43 TYR CB C 43 38.132 38.132 39.396 -1.264 25037 196 1 1 . 1 1 43 43 TYR H H 43 8.437 8.437 7.660 0.777 25037 197 1 1 . 1 1 44 44 ASN CB C 44 38.647 38.647 39.144 -0.497 25037 198 1 1 . 1 1 45 45 GLY CA C 45 45.034 45.034 45.126 -0.092 25037 199 1 1 . 1 1 46 46 ASP CB C 46 40.065 40.065 39.653 0.412 25037 200 1 1 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.715 -0.195 25037 201 1 1 . 1 1 47 47 ASN CA C 47 54.705 54.705 56.474 -1.769 25037 202 1 1 . 1 1 47 47 ASN CB C 47 40.262 40.262 39.017 1.245 25037 203 1 1 . 1 1 47 47 ASN H H 47 8.291 8.291 8.286 0.005 25037 204 1 1 . 1 1 48 48 GLU N N 48 121.849 121.849 119.581 2.268 25037 205 1 1 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.163 -0.036 25037 206 1 1 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.493 0.559 25037 207 1 1 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.340 -0.185 25037 208 1 1 . 1 1 48 48 GLU H H 48 8.695 8.695 8.704 -0.009 25037 209 1 1 . 1 1 49 49 ARG N N 49 120.467 120.467 120.316 0.151 25037 210 1 1 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.117 -0.012 25037 211 1 1 . 1 1 49 49 ARG CA C 49 59.130 59.130 58.923 0.207 25037 212 1 1 . 1 1 49 49 ARG CB C 49 30.078 30.078 29.811 0.267 25037 213 1 1 . 1 1 49 49 ARG H H 49 7.958 7.958 7.642 0.316 25037 214 1 1 . 1 1 50 50 VAL N N 50 119.496 119.496 118.620 0.876 25037 215 1 1 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.510 -0.148 25037 216 1 1 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.233 0.775 25037 217 1 1 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.008 0.751 25037 218 1 1 . 1 1 50 50 VAL H H 50 7.767 7.767 7.604 0.163 25037 219 1 1 . 1 1 51 51 SER N N 51 114.856 114.856 116.243 -1.387 25037 220 1 1 . 1 1 51 51 SER HA H 51 3.665 3.665 3.886 -0.221 25037 221 1 1 . 1 1 51 51 SER CA C 51 62.288 62.288 61.944 0.343 25037 222 1 1 . 1 1 51 51 SER CB C 51 62.823 62.823 62.794 0.029 25037 223 1 1 . 1 1 51 51 SER H H 51 8.296 8.296 8.623 -0.327 25037 224 1 1 . 1 1 52 52 GLN N N 52 120.482 120.482 120.260 0.222 25037 225 1 1 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.113 0.054 25037 226 1 1 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.263 0.916 25037 227 1 1 . 1 1 52 52 GLN CB C 52 28.441 28.441 27.811 0.630 25037 228 1 1 . 1 1 52 52 GLN H H 52 8.012 8.012 7.950 0.062 25037 229 1 1 . 1 1 53 53 THR N N 53 117.745 117.745 117.370 0.375 25037 230 1 1 . 1 1 53 53 THR HA H 53 3.981 3.981 4.074 -0.093 25037 231 1 1 . 1 1 53 53 THR CA C 53 67.070 67.070 66.561 0.509 25037 232 1 1 . 1 1 53 53 THR CB C 53 68.860 68.860 68.651 0.209 25037 233 1 1 . 1 1 53 53 THR H H 53 7.960 7.960 7.503 0.457 25037 234 1 1 . 1 1 54 54 LEU N N 54 122.166 122.166 121.334 0.832 25037 235 1 1 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.899 0.435 25037 236 1 1 . 1 1 54 54 LEU CA C 54 57.483 57.483 58.122 -0.639 25037 237 1 1 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.088 -0.008 25037 238 1 1 . 1 1 54 54 LEU H H 54 8.376 8.376 8.295 0.081 25037 239 1 1 . 1 1 55 55 GLN N N 55 122.381 122.381 118.690 3.691 25037 240 1 1 . 1 1 55 55 GLN HA H 55 4.060 4.060 4.021 0.039 25037 241 1 1 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.623 -0.196 25037 242 1 1 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.379 -0.831 25037 243 1 1 . 1 1 55 55 GLN H H 55 9.086 9.086 8.448 0.638 25037 244 1 1 . 1 1 56 56 ARG N N 56 117.595 117.595 119.379 -1.784 25037 245 1 1 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.019 0.160 25037 246 1 1 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.274 -1.826 25037 247 1 1 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.005 0.187 25037 248 1 1 . 1 1 56 56 ARG H H 56 7.690 7.690 7.568 0.122 25037 249 1 1 . 1 1 57 57 TRP N N 57 120.743 120.743 122.216 -1.473 25037 250 1 1 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.386 -0.290 25037 251 1 1 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.913 -3.057 25037 252 1 1 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.245 -0.688 25037 253 1 1 . 1 1 57 57 TRP H H 57 7.754 7.754 7.633 0.121 25037 254 1 1 . 1 1 58 58 LEU N N 58 121.472 121.472 119.422 2.050 25037 255 1 1 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.514 0.166 25037 256 1 1 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.480 -0.302 25037 257 1 1 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.770 1.177 25037 258 1 1 . 1 1 58 58 LEU H H 58 8.699 8.699 8.814 -0.115 25037 259 1 1 . 1 1 59 59 GLU N N 59 117.216 117.216 119.297 -2.081 25037 260 1 1 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.981 -0.024 25037 261 1 1 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.783 -0.948 25037 262 1 1 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.395 0.429 25037 263 1 1 . 1 1 59 59 GLU H H 59 8.301 8.301 8.487 -0.186 25037 264 1 1 . 1 1 60 60 LYS N N 60 118.414 118.414 117.593 0.821 25037 265 1 1 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.011 0.012 25037 266 1 1 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.667 -0.783 25037 267 1 1 . 1 1 60 60 LYS CB C 60 32.425 32.425 32.007 0.418 25037 268 1 1 . 1 1 60 60 LYS H H 60 7.499 7.499 7.543 -0.044 25037 269 1 1 . 1 1 61 61 TYR N N 61 120.082 120.082 119.760 0.322 25037 270 1 1 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.915 -0.166 25037 271 1 1 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.511 -1.461 25037 272 1 1 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.110 0.520 25037 273 1 1 . 1 1 61 61 TYR H H 61 7.852 7.852 7.715 0.137 25037 274 1 1 . 1 1 62 62 HIS N N 62 117.180 117.180 115.070 2.110 25037 275 1 1 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.365 0.137 25037 276 1 1 . 1 1 62 62 HIS CA C 62 55.698 55.698 57.399 -1.701 25037 277 1 1 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.110 0.125 25037 278 1 1 . 1 1 62 62 HIS H H 62 7.600 7.600 8.069 -0.469 25037 279 1 2 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.497 0.059 25037 280 1 2 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.757 0.442 25037 281 1 2 . 1 1 0 0 PRO CB C 0 32.310 32.310 31.526 0.784 25037 282 1 2 . 1 1 1 1 MET N N 1 122.140 122.140 122.761 -0.621 25037 283 1 2 . 1 1 1 1 MET HA H 1 4.507 4.507 4.220 0.287 25037 284 1 2 . 1 1 1 1 MET CB C 1 34.854 34.854 32.696 2.158 25037 285 1 2 . 1 1 1 1 MET H H 1 8.665 8.665 7.927 0.738 25037 286 1 2 . 1 1 2 2 ASN N N 2 121.514 121.514 120.937 0.577 25037 287 1 2 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.649 0.158 25037 288 1 2 . 1 1 2 2 ASN CB C 2 39.205 39.205 40.287 -1.082 25037 289 1 2 . 1 1 2 2 ASN H H 2 8.927 8.927 8.566 0.361 25037 290 1 2 . 1 1 3 3 ILE N N 3 123.748 123.748 122.016 1.732 25037 291 1 2 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.869 0.090 25037 292 1 2 . 1 1 3 3 ILE CA C 3 65.293 65.293 64.993 0.300 25037 293 1 2 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.891 0.213 25037 294 1 2 . 1 1 3 3 ILE H H 3 8.721 8.721 8.596 0.125 25037 295 1 2 . 1 1 4 4 SER N N 4 115.783 115.783 115.340 0.443 25037 296 1 2 . 1 1 4 4 SER HA H 4 4.147 4.147 3.987 0.160 25037 297 1 2 . 1 1 4 4 SER CA C 4 61.528 61.528 62.221 -0.693 25037 298 1 2 . 1 1 4 4 SER CB C 4 62.284 62.284 62.570 -0.286 25037 299 1 2 . 1 1 4 4 SER H H 4 8.386 8.386 8.721 -0.335 25037 300 1 2 . 1 1 5 5 ASP N N 5 122.493 122.493 122.287 0.206 25037 301 1 2 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.448 0.175 25037 302 1 2 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.537 0.305 25037 303 1 2 . 1 1 5 5 ASP H H 5 7.855 7.855 7.383 0.472 25037 304 1 2 . 1 1 6 6 ILE N N 6 123.982 123.982 120.730 3.252 25037 305 1 2 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.771 0.026 25037 306 1 2 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.740 -0.968 25037 307 1 2 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.089 0.235 25037 308 1 2 . 1 1 6 6 ILE H H 6 8.048 8.048 8.617 -0.569 25037 309 1 2 . 1 1 7 7 ARG N N 7 118.105 118.105 119.424 -1.319 25037 310 1 2 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.246 -0.429 25037 311 1 2 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.318 0.414 25037 312 1 2 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.532 0.515 25037 313 1 2 . 1 1 7 7 ARG H H 7 8.285 8.285 8.601 -0.316 25037 314 1 2 . 1 1 8 8 ALA N N 8 118.807 118.807 121.981 -3.174 25037 315 1 2 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.204 -0.081 25037 316 1 2 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.810 0.283 25037 317 1 2 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.151 0.402 25037 318 1 2 . 1 1 8 8 ALA H H 8 8.093 8.093 7.911 0.182 25037 319 1 2 . 1 1 9 9 GLY N N 9 107.079 107.079 107.433 -0.354 25037 320 1 2 . 1 1 9 9 GLY CA C 9 47.084 47.084 47.178 -0.094 25037 321 1 2 . 1 1 9 9 GLY H H 9 8.358 8.358 8.563 -0.205 25037 322 1 2 . 1 1 10 10 LEU N N 10 121.077 121.077 120.601 0.476 25037 323 1 2 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.872 0.258 25037 324 1 2 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.791 0.188 25037 325 1 2 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.348 1.304 25037 326 1 2 . 1 1 10 10 LEU H H 10 8.116 8.116 7.613 0.503 25037 327 1 2 . 1 1 11 11 ARG N N 11 118.227 118.227 118.618 -0.391 25037 328 1 2 . 1 1 11 11 ARG HA H 11 3.803 3.803 3.973 -0.170 25037 329 1 2 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.758 0.667 25037 330 1 2 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.858 0.463 25037 331 1 2 . 1 1 11 11 ARG H H 11 8.472 8.472 7.436 1.036 25037 332 1 2 . 1 1 12 12 THR N N 12 114.121 114.121 117.482 -3.361 25037 333 1 2 . 1 1 12 12 THR HA H 12 3.965 3.965 3.981 -0.016 25037 334 1 2 . 1 1 12 12 THR CA C 12 66.730 66.730 67.091 -0.361 25037 335 1 2 . 1 1 12 12 THR CB C 12 69.178 69.178 68.362 0.816 25037 336 1 2 . 1 1 12 12 THR H H 12 8.180 8.180 7.965 0.215 25037 337 1 2 . 1 1 13 13 LEU N N 13 119.606 119.606 120.224 -0.618 25037 338 1 2 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.096 0.004 25037 339 1 2 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.065 0.003 25037 340 1 2 . 1 1 13 13 LEU CB C 13 43.019 43.019 40.872 2.147 25037 341 1 2 . 1 1 13 13 LEU H H 13 7.156 7.156 7.981 -0.825 25037 342 1 2 . 1 1 14 14 VAL N N 14 117.777 117.777 115.697 2.080 25037 343 1 2 . 1 1 14 14 VAL HA H 14 3.808 3.808 4.128 -0.320 25037 344 1 2 . 1 1 14 14 VAL CA C 14 65.464 65.464 64.803 0.661 25037 345 1 2 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.540 0.355 25037 346 1 2 . 1 1 14 14 VAL H H 14 7.785 7.785 7.820 -0.035 25037 347 1 2 . 1 1 15 15 GLU N N 15 123.041 123.041 120.090 2.951 25037 348 1 2 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.102 -0.033 25037 349 1 2 . 1 1 15 15 GLU CA C 15 57.624 57.624 58.818 -1.194 25037 350 1 2 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.268 -0.072 25037 351 1 2 . 1 1 15 15 GLU H H 15 8.961 8.961 8.529 0.432 25037 352 1 2 . 1 1 16 16 ASN N N 16 114.935 114.935 115.031 -0.096 25037 353 1 2 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.728 0.099 25037 354 1 2 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.013 -0.487 25037 355 1 2 . 1 1 16 16 ASN H H 16 7.863 7.863 8.081 -0.218 25037 356 1 2 . 1 1 17 17 GLU N N 17 113.841 113.841 114.522 -0.681 25037 357 1 2 . 1 1 17 17 GLU HA H 17 4.070 4.070 4.034 0.036 25037 358 1 2 . 1 1 17 17 GLU CA C 17 57.624 57.624 57.837 -0.213 25037 359 1 2 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.549 1.595 25037 360 1 2 . 1 1 17 17 GLU H H 17 8.008 8.008 7.752 0.256 25037 361 1 2 . 1 1 18 18 GLU N N 18 117.787 117.787 117.030 0.757 25037 362 1 2 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.100 0.210 25037 363 1 2 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.806 -0.553 25037 364 1 2 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.277 0.100 25037 365 1 2 . 1 1 18 18 GLU H H 18 8.517 8.517 8.139 0.378 25037 366 1 2 . 1 1 19 19 THR N N 19 110.292 110.292 110.496 -0.204 25037 367 1 2 . 1 1 19 19 THR HA H 19 4.562 4.562 4.530 0.032 25037 368 1 2 . 1 1 19 19 THR CB C 19 68.196 68.196 69.834 -1.637 25037 369 1 2 . 1 1 19 19 THR H H 19 7.457 7.457 7.579 -0.122 25037 370 1 2 . 1 1 20 20 THR N N 20 109.626 109.626 116.458 -6.832 25037 371 1 2 . 1 1 20 20 THR HA H 20 4.633 4.633 4.753 -0.120 25037 372 1 2 . 1 1 20 20 THR H H 20 8.188 8.188 8.279 -0.091 25037 373 1 2 . 1 1 21 21 PHE N N 21 118.935 118.935 123.513 -4.578 25037 374 1 2 . 1 1 21 21 PHE HA H 21 4.238 4.238 3.998 0.240 25037 375 1 2 . 1 1 21 21 PHE CA C 21 60.267 60.267 63.069 -2.803 25037 376 1 2 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.579 -0.783 25037 377 1 2 . 1 1 21 21 PHE H H 21 8.714 8.714 9.085 -0.371 25037 378 1 2 . 1 1 22 22 LYS N N 22 116.962 116.962 118.401 -1.439 25037 379 1 2 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.945 -0.064 25037 380 1 2 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.839 -0.250 25037 381 1 2 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.777 0.736 25037 382 1 2 . 1 1 22 22 LYS H H 22 8.234 8.234 8.386 -0.152 25037 383 1 2 . 1 1 23 23 GLN N N 23 121.042 121.042 119.285 1.757 25037 384 1 2 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.141 -0.166 25037 385 1 2 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.409 0.565 25037 386 1 2 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.135 -0.195 25037 387 1 2 . 1 1 23 23 GLN H H 23 7.859 7.859 7.714 0.145 25037 388 1 2 . 1 1 24 24 ILE N N 24 118.125 118.125 120.153 -2.028 25037 389 1 2 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.053 -0.211 25037 390 1 2 . 1 1 24 24 ILE CA C 24 65.094 65.094 64.652 0.442 25037 391 1 2 . 1 1 24 24 ILE CB C 24 37.778 37.778 36.985 0.793 25037 392 1 2 . 1 1 24 24 ILE H H 24 7.871 7.871 7.470 0.401 25037 393 1 2 . 1 1 25 25 ALA N N 25 125.380 125.380 123.488 1.892 25037 394 1 2 . 1 1 25 25 ALA HA H 25 3.855 3.855 3.945 -0.090 25037 395 1 2 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.897 1.085 25037 396 1 2 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.477 0.836 25037 397 1 2 . 1 1 25 25 ALA H H 25 8.452 8.452 8.202 0.250 25037 398 1 2 . 1 1 26 26 LEU N N 26 119.285 119.285 118.934 0.351 25037 399 1 2 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.958 0.083 25037 400 1 2 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.925 0.051 25037 401 1 2 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.781 0.556 25037 402 1 2 . 1 1 26 26 LEU H H 26 7.936 7.936 7.922 0.014 25037 403 1 2 . 1 1 27 27 GLU N N 27 115.748 115.748 117.148 -1.400 25037 404 1 2 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.272 -0.063 25037 405 1 2 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.342 -0.099 25037 406 1 2 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.193 0.643 25037 407 1 2 . 1 1 27 27 GLU H H 27 8.050 8.050 8.027 0.023 25037 408 1 2 . 1 1 28 28 SER N N 28 113.421 113.421 112.013 1.408 25037 409 1 2 . 1 1 28 28 SER HA H 28 4.597 4.597 4.309 0.288 25037 410 1 2 . 1 1 28 28 SER CB C 28 65.743 65.743 64.468 1.275 25037 411 1 2 . 1 1 28 28 SER H H 28 8.476 8.476 8.188 0.288 25037 412 1 2 . 1 1 29 29 GLY N N 29 112.001 112.001 110.858 1.143 25037 413 1 2 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.205 0.688 25037 414 1 2 . 1 1 29 29 GLY H H 29 8.074 8.074 8.051 0.023 25037 415 1 2 . 1 1 30 30 LEU N N 30 120.750 120.750 119.321 1.429 25037 416 1 2 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.637 -0.028 25037 417 1 2 . 1 1 30 30 LEU CB C 30 44.177 44.177 43.409 0.768 25037 418 1 2 . 1 1 30 30 LEU H H 30 7.545 7.545 7.455 0.090 25037 419 1 2 . 1 1 31 31 SER N N 31 113.993 113.993 114.514 -0.521 25037 420 1 2 . 1 1 31 31 SER HA H 31 4.568 4.568 4.697 -0.129 25037 421 1 2 . 1 1 31 31 SER CB C 31 64.928 64.928 64.456 0.472 25037 422 1 2 . 1 1 31 31 SER H H 31 8.326 8.326 8.150 0.176 25037 423 1 2 . 1 1 32 32 THR HA H 32 3.606 3.606 4.062 -0.456 25037 424 1 2 . 1 1 32 32 THR CA C 32 66.547 66.547 65.467 1.080 25037 425 1 2 . 1 1 32 32 THR CB C 32 67.740 67.740 68.356 -0.616 25037 426 1 2 . 1 1 33 33 GLY CA C 33 46.761 46.761 47.393 -0.632 25037 427 1 2 . 1 1 33 33 GLY H H 33 7.877 7.877 8.495 -0.618 25037 428 1 2 . 1 1 34 34 THR N N 34 121.948 121.948 118.907 3.041 25037 429 1 2 . 1 1 34 34 THR HA H 34 3.737 3.737 3.744 -0.007 25037 430 1 2 . 1 1 34 34 THR CA C 34 66.578 66.578 66.269 0.309 25037 431 1 2 . 1 1 34 34 THR CB C 34 67.956 67.956 68.285 -0.329 25037 432 1 2 . 1 1 34 34 THR H H 34 7.877 7.877 7.709 0.168 25037 433 1 2 . 1 1 35 35 ILE N N 35 120.301 120.301 121.759 -1.458 25037 434 1 2 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.550 -0.350 25037 435 1 2 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.787 -0.273 25037 436 1 2 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.667 0.202 25037 437 1 2 . 1 1 35 35 ILE H H 35 7.750 7.750 8.133 -0.383 25037 438 1 2 . 1 1 36 36 SER N N 36 113.120 113.120 115.179 -2.059 25037 439 1 2 . 1 1 36 36 SER HA H 36 3.535 3.535 4.225 -0.690 25037 440 1 2 . 1 1 36 36 SER CA C 36 61.365 61.365 62.348 -0.983 25037 441 1 2 . 1 1 36 36 SER CB C 36 62.114 62.114 62.569 -0.455 25037 442 1 2 . 1 1 36 36 SER H H 36 8.322 8.322 8.219 0.103 25037 443 1 2 . 1 1 37 37 SER N N 37 116.941 116.941 118.079 -1.138 25037 444 1 2 . 1 1 37 37 SER HA H 37 4.196 4.196 4.296 -0.100 25037 445 1 2 . 1 1 37 37 SER CA C 37 61.201 61.201 62.052 -0.851 25037 446 1 2 . 1 1 37 37 SER CB C 37 63.821 63.821 63.228 0.593 25037 447 1 2 . 1 1 37 37 SER H H 37 8.096 8.096 8.083 0.013 25037 448 1 2 . 1 1 38 38 PHE N N 38 123.225 123.225 123.813 -0.588 25037 449 1 2 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.281 0.073 25037 450 1 2 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.653 0.246 25037 451 1 2 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.086 0.224 25037 452 1 2 . 1 1 38 38 PHE H H 38 8.541 8.541 8.470 0.071 25037 453 1 2 . 1 1 39 39 ILE N N 39 121.189 121.189 119.961 1.228 25037 454 1 2 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.418 0.012 25037 455 1 2 . 1 1 39 39 ILE CA C 39 65.804 65.804 65.734 0.070 25037 456 1 2 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.614 0.244 25037 457 1 2 . 1 1 39 39 ILE H H 39 8.619 8.619 8.898 -0.279 25037 458 1 2 . 1 1 40 40 ASN N N 40 115.447 115.447 117.327 -1.880 25037 459 1 2 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.556 0.092 25037 460 1 2 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.963 0.280 25037 461 1 2 . 1 1 40 40 ASN H H 40 7.547 7.547 7.691 -0.144 25037 462 1 2 . 1 1 41 41 ASP N N 41 119.335 119.335 117.828 1.507 25037 463 1 2 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.226 0.167 25037 464 1 2 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.549 -1.018 25037 465 1 2 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.610 -0.029 25037 466 1 2 . 1 1 41 41 ASP H H 41 7.933 7.933 7.926 0.007 25037 467 1 2 . 1 1 42 42 LYS N N 42 117.025 117.025 115.527 1.498 25037 468 1 2 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.430 0.090 25037 469 1 2 . 1 1 42 42 LYS CB C 42 33.693 33.693 34.612 -0.919 25037 470 1 2 . 1 1 42 42 LYS H H 42 8.418 8.418 8.318 0.100 25037 471 1 2 . 1 1 43 43 TYR N N 43 122.804 122.804 122.928 -0.124 25037 472 1 2 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.392 0.271 25037 473 1 2 . 1 1 43 43 TYR CB C 43 38.132 38.132 39.377 -1.244 25037 474 1 2 . 1 1 43 43 TYR H H 43 8.437 8.437 7.759 0.678 25037 475 1 2 . 1 1 44 44 ASN CB C 44 38.647 38.647 39.318 -0.671 25037 476 1 2 . 1 1 45 45 GLY CA C 45 45.034 45.034 45.332 -0.298 25037 477 1 2 . 1 1 46 46 ASP CB C 46 40.065 40.065 39.690 0.375 25037 478 1 2 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.726 -0.206 25037 479 1 2 . 1 1 47 47 ASN CA C 47 54.705 54.705 56.251 -1.546 25037 480 1 2 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.449 1.813 25037 481 1 2 . 1 1 47 47 ASN H H 47 8.291 8.291 8.293 -0.002 25037 482 1 2 . 1 1 48 48 GLU N N 48 121.849 121.849 120.704 1.145 25037 483 1 2 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.146 -0.019 25037 484 1 2 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.387 0.665 25037 485 1 2 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.564 -0.409 25037 486 1 2 . 1 1 48 48 GLU H H 48 8.695 8.695 8.675 0.020 25037 487 1 2 . 1 1 49 49 ARG N N 49 120.467 120.467 119.624 0.843 25037 488 1 2 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.149 -0.044 25037 489 1 2 . 1 1 49 49 ARG CA C 49 59.130 59.130 58.632 0.498 25037 490 1 2 . 1 1 49 49 ARG CB C 49 30.078 30.078 29.625 0.453 25037 491 1 2 . 1 1 49 49 ARG H H 49 7.958 7.958 7.843 0.115 25037 492 1 2 . 1 1 50 50 VAL N N 50 119.496 119.496 118.595 0.901 25037 493 1 2 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.411 -0.049 25037 494 1 2 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.649 0.359 25037 495 1 2 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.165 0.594 25037 496 1 2 . 1 1 50 50 VAL H H 50 7.767 7.767 7.678 0.089 25037 497 1 2 . 1 1 51 51 SER N N 51 114.856 114.856 115.146 -0.290 25037 498 1 2 . 1 1 51 51 SER HA H 51 3.665 3.665 3.916 -0.251 25037 499 1 2 . 1 1 51 51 SER CA C 51 62.288 62.288 61.774 0.514 25037 500 1 2 . 1 1 51 51 SER CB C 51 62.823 62.823 62.840 -0.017 25037 501 1 2 . 1 1 51 51 SER H H 51 8.296 8.296 8.269 0.027 25037 502 1 2 . 1 1 52 52 GLN N N 52 120.482 120.482 121.204 -0.722 25037 503 1 2 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.062 0.105 25037 504 1 2 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.689 0.490 25037 505 1 2 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.313 0.128 25037 506 1 2 . 1 1 52 52 GLN H H 52 8.012 8.012 7.773 0.239 25037 507 1 2 . 1 1 53 53 THR N N 53 117.745 117.745 117.421 0.324 25037 508 1 2 . 1 1 53 53 THR HA H 53 3.981 3.981 4.102 -0.121 25037 509 1 2 . 1 1 53 53 THR CA C 53 67.070 67.070 66.946 0.124 25037 510 1 2 . 1 1 53 53 THR CB C 53 68.860 68.860 68.497 0.363 25037 511 1 2 . 1 1 53 53 THR H H 53 7.960 7.960 8.014 -0.054 25037 512 1 2 . 1 1 54 54 LEU N N 54 122.166 122.166 121.442 0.724 25037 513 1 2 . 1 1 54 54 LEU HA H 54 4.334 4.334 4.003 0.331 25037 514 1 2 . 1 1 54 54 LEU CA C 54 57.483 57.483 57.861 -0.378 25037 515 1 2 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.105 -0.024 25037 516 1 2 . 1 1 54 54 LEU H H 54 8.376 8.376 8.179 0.197 25037 517 1 2 . 1 1 55 55 GLN N N 55 122.381 122.381 119.222 3.159 25037 518 1 2 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.990 0.070 25037 519 1 2 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.830 -0.403 25037 520 1 2 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.326 -0.778 25037 521 1 2 . 1 1 55 55 GLN H H 55 9.086 9.086 8.383 0.703 25037 522 1 2 . 1 1 56 56 ARG N N 56 117.595 117.595 119.049 -1.454 25037 523 1 2 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.240 -0.061 25037 524 1 2 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.367 -1.919 25037 525 1 2 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.049 0.143 25037 526 1 2 . 1 1 56 56 ARG H H 56 7.690 7.690 7.560 0.130 25037 527 1 2 . 1 1 57 57 TRP N N 57 120.743 120.743 121.835 -1.092 25037 528 1 2 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.387 -0.291 25037 529 1 2 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.851 -2.995 25037 530 1 2 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.224 -0.667 25037 531 1 2 . 1 1 57 57 TRP H H 57 7.754 7.754 7.661 0.093 25037 532 1 2 . 1 1 58 58 LEU N N 58 121.472 121.472 119.228 2.244 25037 533 1 2 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.642 0.038 25037 534 1 2 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.418 -0.240 25037 535 1 2 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.746 1.201 25037 536 1 2 . 1 1 58 58 LEU H H 58 8.699 8.699 8.985 -0.286 25037 537 1 2 . 1 1 59 59 GLU N N 59 117.216 117.216 119.571 -2.355 25037 538 1 2 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.861 0.096 25037 539 1 2 . 1 1 59 59 GLU CA C 59 58.835 58.835 60.155 -1.320 25037 540 1 2 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.479 0.345 25037 541 1 2 . 1 1 59 59 GLU H H 59 8.301 8.301 8.434 -0.133 25037 542 1 2 . 1 1 60 60 LYS N N 60 118.414 118.414 118.269 0.145 25037 543 1 2 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.043 -0.020 25037 544 1 2 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.625 -0.741 25037 545 1 2 . 1 1 60 60 LYS CB C 60 32.425 32.425 32.078 0.347 25037 546 1 2 . 1 1 60 60 LYS H H 60 7.499 7.499 7.616 -0.117 25037 547 1 2 . 1 1 61 61 TYR N N 61 120.082 120.082 119.974 0.108 25037 548 1 2 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.920 -0.171 25037 549 1 2 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.747 -1.697 25037 550 1 2 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.209 0.421 25037 551 1 2 . 1 1 61 61 TYR H H 61 7.852 7.852 7.783 0.069 25037 552 1 2 . 1 1 62 62 HIS N N 62 117.180 117.180 114.997 2.183 25037 553 1 2 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.328 0.174 25037 554 1 2 . 1 1 62 62 HIS CA C 62 55.698 55.698 58.123 -2.425 25037 555 1 2 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.557 -0.322 25037 556 1 2 . 1 1 62 62 HIS H H 62 7.600 7.600 8.193 -0.593 25037 557 1 3 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.979 -0.423 25037 558 1 3 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.814 0.385 25037 559 1 3 . 1 1 0 0 PRO CB C 0 32.310 32.310 33.119 -0.809 25037 560 1 3 . 1 1 1 1 MET N N 1 122.140 122.140 117.804 4.336 25037 561 1 3 . 1 1 1 1 MET HA H 1 4.507 4.507 4.529 -0.022 25037 562 1 3 . 1 1 1 1 MET CB C 1 34.854 34.854 35.667 -0.813 25037 563 1 3 . 1 1 1 1 MET H H 1 8.665 8.665 8.039 0.626 25037 564 1 3 . 1 1 2 2 ASN N N 2 121.514 121.514 119.199 2.315 25037 565 1 3 . 1 1 2 2 ASN HA H 2 4.807 4.807 5.048 -0.241 25037 566 1 3 . 1 1 2 2 ASN CB C 2 39.205 39.205 40.238 -1.033 25037 567 1 3 . 1 1 2 2 ASN H H 2 8.927 8.927 8.396 0.531 25037 568 1 3 . 1 1 3 3 ILE N N 3 123.748 123.748 122.487 1.261 25037 569 1 3 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.727 0.232 25037 570 1 3 . 1 1 3 3 ILE CA C 3 65.293 65.293 65.656 -0.363 25037 571 1 3 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.721 0.383 25037 572 1 3 . 1 1 3 3 ILE H H 3 8.721 8.721 8.559 0.162 25037 573 1 3 . 1 1 4 4 SER N N 4 115.783 115.783 114.591 1.192 25037 574 1 3 . 1 1 4 4 SER HA H 4 4.147 4.147 4.004 0.143 25037 575 1 3 . 1 1 4 4 SER CA C 4 61.528 61.528 61.203 0.325 25037 576 1 3 . 1 1 4 4 SER CB C 4 62.284 62.284 62.593 -0.309 25037 577 1 3 . 1 1 4 4 SER H H 4 8.386 8.386 8.488 -0.102 25037 578 1 3 . 1 1 5 5 ASP N N 5 122.493 122.493 123.083 -0.590 25037 579 1 3 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.557 0.066 25037 580 1 3 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.699 0.143 25037 581 1 3 . 1 1 5 5 ASP H H 5 7.855 7.855 7.588 0.267 25037 582 1 3 . 1 1 6 6 ILE N N 6 123.982 123.982 120.919 3.063 25037 583 1 3 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.730 0.067 25037 584 1 3 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.595 -0.823 25037 585 1 3 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.201 0.123 25037 586 1 3 . 1 1 6 6 ILE H H 6 8.048 8.048 8.470 -0.422 25037 587 1 3 . 1 1 7 7 ARG N N 7 118.105 118.105 119.325 -1.220 25037 588 1 3 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.208 -0.391 25037 589 1 3 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.475 0.257 25037 590 1 3 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.689 0.357 25037 591 1 3 . 1 1 7 7 ARG H H 7 8.285 8.285 8.556 -0.271 25037 592 1 3 . 1 1 8 8 ALA N N 8 118.807 118.807 122.054 -3.247 25037 593 1 3 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.181 -0.058 25037 594 1 3 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.724 0.369 25037 595 1 3 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.054 0.499 25037 596 1 3 . 1 1 8 8 ALA H H 8 8.093 8.093 7.318 0.775 25037 597 1 3 . 1 1 9 9 GLY N N 9 107.079 107.079 106.953 0.126 25037 598 1 3 . 1 1 9 9 GLY CA C 9 47.084 47.084 47.126 -0.042 25037 599 1 3 . 1 1 9 9 GLY H H 9 8.358 8.358 7.896 0.462 25037 600 1 3 . 1 1 10 10 LEU N N 10 121.077 121.077 120.682 0.395 25037 601 1 3 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.040 0.090 25037 602 1 3 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.428 0.551 25037 603 1 3 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.487 1.165 25037 604 1 3 . 1 1 10 10 LEU H H 10 8.116 8.116 7.614 0.502 25037 605 1 3 . 1 1 11 11 ARG N N 11 118.227 118.227 119.076 -0.849 25037 606 1 3 . 1 1 11 11 ARG HA H 11 3.803 3.803 4.006 -0.203 25037 607 1 3 . 1 1 11 11 ARG CA C 11 60.425 60.425 60.000 0.425 25037 608 1 3 . 1 1 11 11 ARG CB C 11 30.321 30.321 30.075 0.246 25037 609 1 3 . 1 1 11 11 ARG H H 11 8.472 8.472 7.686 0.786 25037 610 1 3 . 1 1 12 12 THR N N 12 114.121 114.121 117.653 -3.532 25037 611 1 3 . 1 1 12 12 THR HA H 12 3.965 3.965 3.942 0.023 25037 612 1 3 . 1 1 12 12 THR CA C 12 66.730 66.730 66.697 0.033 25037 613 1 3 . 1 1 12 12 THR CB C 12 69.178 69.178 68.601 0.577 25037 614 1 3 . 1 1 12 12 THR H H 12 8.180 8.180 7.863 0.317 25037 615 1 3 . 1 1 13 13 LEU N N 13 119.606 119.606 120.564 -0.958 25037 616 1 3 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.051 0.049 25037 617 1 3 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.017 0.051 25037 618 1 3 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.752 1.267 25037 619 1 3 . 1 1 13 13 LEU H H 13 7.156 7.156 7.936 -0.780 25037 620 1 3 . 1 1 14 14 VAL N N 14 117.777 117.777 115.369 2.408 25037 621 1 3 . 1 1 14 14 VAL HA H 14 3.808 3.808 4.079 -0.271 25037 622 1 3 . 1 1 14 14 VAL CA C 14 65.464 65.464 64.951 0.512 25037 623 1 3 . 1 1 14 14 VAL CB C 14 31.895 31.895 30.543 1.353 25037 624 1 3 . 1 1 14 14 VAL H H 14 7.785 7.785 7.713 0.072 25037 625 1 3 . 1 1 15 15 GLU N N 15 123.041 123.041 121.544 1.497 25037 626 1 3 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.125 -0.056 25037 627 1 3 . 1 1 15 15 GLU CA C 15 57.624 57.624 58.957 -1.333 25037 628 1 3 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.385 -0.189 25037 629 1 3 . 1 1 15 15 GLU H H 15 8.961 8.961 8.775 0.186 25037 630 1 3 . 1 1 16 16 ASN N N 16 114.935 114.935 114.963 -0.028 25037 631 1 3 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.904 -0.077 25037 632 1 3 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.245 -0.719 25037 633 1 3 . 1 1 16 16 ASN H H 16 7.863 7.863 7.506 0.357 25037 634 1 3 . 1 1 17 17 GLU N N 17 113.841 113.841 115.315 -1.474 25037 635 1 3 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.906 0.164 25037 636 1 3 . 1 1 17 17 GLU CA C 17 57.624 57.624 57.986 -0.362 25037 637 1 3 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.417 1.727 25037 638 1 3 . 1 1 17 17 GLU H H 17 8.008 8.008 7.844 0.164 25037 639 1 3 . 1 1 18 18 GLU N N 18 117.787 117.787 116.340 1.447 25037 640 1 3 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.121 0.189 25037 641 1 3 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.262 -0.009 25037 642 1 3 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.137 0.240 25037 643 1 3 . 1 1 18 18 GLU H H 18 8.517 8.517 8.356 0.161 25037 644 1 3 . 1 1 19 19 THR N N 19 110.292 110.292 109.730 0.562 25037 645 1 3 . 1 1 19 19 THR HA H 19 4.562 4.562 4.605 -0.043 25037 646 1 3 . 1 1 19 19 THR CB C 19 68.196 68.196 69.890 -1.694 25037 647 1 3 . 1 1 19 19 THR H H 19 7.457 7.457 7.346 0.111 25037 648 1 3 . 1 1 20 20 THR N N 20 109.626 109.626 116.815 -7.189 25037 649 1 3 . 1 1 20 20 THR HA H 20 4.633 4.633 4.629 0.004 25037 650 1 3 . 1 1 20 20 THR H H 20 8.188 8.188 8.526 -0.338 25037 651 1 3 . 1 1 21 21 PHE N N 21 118.935 118.935 124.312 -5.377 25037 652 1 3 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.091 0.147 25037 653 1 3 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.107 -1.840 25037 654 1 3 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.195 -0.399 25037 655 1 3 . 1 1 21 21 PHE H H 21 8.714 8.714 8.594 0.120 25037 656 1 3 . 1 1 22 22 LYS N N 22 116.962 116.962 118.324 -1.362 25037 657 1 3 . 1 1 22 22 LYS HA H 22 3.881 3.881 4.024 -0.143 25037 658 1 3 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.677 -0.088 25037 659 1 3 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.375 1.138 25037 660 1 3 . 1 1 22 22 LYS H H 22 8.234 8.234 8.516 -0.282 25037 661 1 3 . 1 1 23 23 GLN N N 23 121.042 121.042 119.516 1.526 25037 662 1 3 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.152 -0.177 25037 663 1 3 . 1 1 23 23 GLN CA C 23 58.974 58.974 59.322 -0.348 25037 664 1 3 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.211 -0.271 25037 665 1 3 . 1 1 23 23 GLN H H 23 7.859 7.859 7.554 0.305 25037 666 1 3 . 1 1 24 24 ILE N N 24 118.125 118.125 120.250 -2.125 25037 667 1 3 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.406 -0.564 25037 668 1 3 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.235 -0.141 25037 669 1 3 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.308 0.470 25037 670 1 3 . 1 1 24 24 ILE H H 24 7.871 7.871 8.345 -0.474 25037 671 1 3 . 1 1 25 25 ALA N N 25 125.380 125.380 123.043 2.337 25037 672 1 3 . 1 1 25 25 ALA HA H 25 3.855 3.855 4.091 -0.236 25037 673 1 3 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.849 1.133 25037 674 1 3 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.620 0.694 25037 675 1 3 . 1 1 25 25 ALA H H 25 8.452 8.452 8.248 0.204 25037 676 1 3 . 1 1 26 26 LEU N N 26 119.285 119.285 119.274 0.011 25037 677 1 3 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.981 0.060 25037 678 1 3 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.988 -0.012 25037 679 1 3 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.819 0.518 25037 680 1 3 . 1 1 26 26 LEU H H 26 7.936 7.936 8.109 -0.173 25037 681 1 3 . 1 1 27 27 GLU N N 27 115.748 115.748 117.640 -1.892 25037 682 1 3 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.192 0.017 25037 683 1 3 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.719 -0.476 25037 684 1 3 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.043 0.793 25037 685 1 3 . 1 1 27 27 GLU H H 27 8.050 8.050 8.436 -0.386 25037 686 1 3 . 1 1 28 28 SER N N 28 113.421 113.421 111.766 1.655 25037 687 1 3 . 1 1 28 28 SER HA H 28 4.597 4.597 4.335 0.262 25037 688 1 3 . 1 1 28 28 SER CB C 28 65.743 65.743 64.320 1.423 25037 689 1 3 . 1 1 28 28 SER H H 28 8.476 8.476 8.361 0.115 25037 690 1 3 . 1 1 29 29 GLY N N 29 112.001 112.001 110.928 1.073 25037 691 1 3 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.604 0.289 25037 692 1 3 . 1 1 29 29 GLY H H 29 8.074 8.074 7.869 0.205 25037 693 1 3 . 1 1 30 30 LEU N N 30 120.750 120.750 119.599 1.151 25037 694 1 3 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.411 0.198 25037 695 1 3 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.883 1.294 25037 696 1 3 . 1 1 30 30 LEU H H 30 7.545 7.545 7.490 0.055 25037 697 1 3 . 1 1 31 31 SER N N 31 113.993 113.993 115.208 -1.215 25037 698 1 3 . 1 1 31 31 SER HA H 31 4.568 4.568 4.603 -0.035 25037 699 1 3 . 1 1 31 31 SER CB C 31 64.928 64.928 64.625 0.303 25037 700 1 3 . 1 1 31 31 SER H H 31 8.326 8.326 8.576 -0.250 25037 701 1 3 . 1 1 32 32 THR HA H 32 3.606 3.606 4.095 -0.489 25037 702 1 3 . 1 1 32 32 THR CA C 32 66.547 66.547 65.683 0.864 25037 703 1 3 . 1 1 32 32 THR CB C 32 67.740 67.740 68.629 -0.889 25037 704 1 3 . 1 1 33 33 GLY CA C 33 46.761 46.761 46.929 -0.168 25037 705 1 3 . 1 1 33 33 GLY H H 33 7.877 7.877 8.522 -0.645 25037 706 1 3 . 1 1 34 34 THR N N 34 121.948 121.948 119.907 2.041 25037 707 1 3 . 1 1 34 34 THR HA H 34 3.737 3.737 4.149 -0.412 25037 708 1 3 . 1 1 34 34 THR CA C 34 66.578 66.578 66.961 -0.383 25037 709 1 3 . 1 1 34 34 THR CB C 34 67.956 67.956 68.609 -0.653 25037 710 1 3 . 1 1 34 34 THR H H 34 7.877 7.877 7.253 0.624 25037 711 1 3 . 1 1 35 35 ILE N N 35 120.301 120.301 121.022 -0.721 25037 712 1 3 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.519 -0.320 25037 713 1 3 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.825 -0.311 25037 714 1 3 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.658 0.211 25037 715 1 3 . 1 1 35 35 ILE H H 35 7.750 7.750 7.785 -0.035 25037 716 1 3 . 1 1 36 36 SER N N 36 113.120 113.120 114.599 -1.479 25037 717 1 3 . 1 1 36 36 SER HA H 36 3.535 3.535 3.985 -0.450 25037 718 1 3 . 1 1 36 36 SER CA C 36 61.365 61.365 61.876 -0.511 25037 719 1 3 . 1 1 36 36 SER CB C 36 62.114 62.114 62.280 -0.166 25037 720 1 3 . 1 1 36 36 SER H H 36 8.322 8.322 7.681 0.641 25037 721 1 3 . 1 1 37 37 SER N N 37 116.941 116.941 118.987 -2.046 25037 722 1 3 . 1 1 37 37 SER HA H 37 4.196 4.196 4.197 -0.001 25037 723 1 3 . 1 1 37 37 SER CA C 37 61.201 61.201 61.597 -0.396 25037 724 1 3 . 1 1 37 37 SER CB C 37 63.821 63.821 63.183 0.638 25037 725 1 3 . 1 1 37 37 SER H H 37 8.096 8.096 8.177 -0.081 25037 726 1 3 . 1 1 38 38 PHE N N 38 123.225 123.225 122.728 0.497 25037 727 1 3 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.215 0.139 25037 728 1 3 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.783 0.116 25037 729 1 3 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.172 0.139 25037 730 1 3 . 1 1 38 38 PHE H H 38 8.541 8.541 8.735 -0.194 25037 731 1 3 . 1 1 39 39 ILE N N 39 121.189 121.189 119.266 1.923 25037 732 1 3 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.557 -0.127 25037 733 1 3 . 1 1 39 39 ILE CA C 39 65.804 65.804 65.251 0.553 25037 734 1 3 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.725 0.133 25037 735 1 3 . 1 1 39 39 ILE H H 39 8.619 8.619 8.168 0.451 25037 736 1 3 . 1 1 40 40 ASN N N 40 115.447 115.447 116.486 -1.039 25037 737 1 3 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.645 0.003 25037 738 1 3 . 1 1 40 40 ASN CB C 40 39.243 39.243 37.628 1.615 25037 739 1 3 . 1 1 40 40 ASN H H 40 7.547 7.547 7.971 -0.424 25037 740 1 3 . 1 1 41 41 ASP N N 41 119.335 119.335 115.463 3.872 25037 741 1 3 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.271 0.122 25037 742 1 3 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.732 -1.201 25037 743 1 3 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.182 0.399 25037 744 1 3 . 1 1 41 41 ASP H H 41 7.933 7.933 7.669 0.264 25037 745 1 3 . 1 1 42 42 LYS N N 42 117.025 117.025 115.554 1.471 25037 746 1 3 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.524 -0.004 25037 747 1 3 . 1 1 42 42 LYS CB C 42 33.693 33.693 33.492 0.201 25037 748 1 3 . 1 1 42 42 LYS H H 42 8.418 8.418 8.216 0.202 25037 749 1 3 . 1 1 43 43 TYR N N 43 122.804 122.804 123.640 -0.836 25037 750 1 3 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.382 0.281 25037 751 1 3 . 1 1 43 43 TYR CB C 43 38.132 38.132 37.012 1.120 25037 752 1 3 . 1 1 43 43 TYR H H 43 8.437 8.437 7.794 0.643 25037 753 1 3 . 1 1 44 44 ASN CB C 44 38.647 38.647 37.634 1.013 25037 754 1 3 . 1 1 45 45 GLY CA C 45 45.034 45.034 44.942 0.092 25037 755 1 3 . 1 1 46 46 ASP CB C 46 40.065 40.065 39.582 0.483 25037 756 1 3 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.495 0.025 25037 757 1 3 . 1 1 47 47 ASN CA C 47 54.705 54.705 56.964 -2.259 25037 758 1 3 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.515 1.747 25037 759 1 3 . 1 1 47 47 ASN H H 47 8.291 8.291 8.301 -0.010 25037 760 1 3 . 1 1 48 48 GLU N N 48 121.849 121.849 119.828 2.021 25037 761 1 3 . 1 1 48 48 GLU HA H 48 4.127 4.127 3.994 0.133 25037 762 1 3 . 1 1 48 48 GLU CA C 48 60.052 60.052 58.902 1.150 25037 763 1 3 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.028 0.127 25037 764 1 3 . 1 1 48 48 GLU H H 48 8.695 8.695 8.837 -0.142 25037 765 1 3 . 1 1 49 49 ARG N N 49 120.467 120.467 119.721 0.746 25037 766 1 3 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.060 0.045 25037 767 1 3 . 1 1 49 49 ARG CA C 49 59.130 59.130 59.634 -0.504 25037 768 1 3 . 1 1 49 49 ARG CB C 49 30.078 30.078 30.262 -0.184 25037 769 1 3 . 1 1 49 49 ARG H H 49 7.958 7.958 7.545 0.413 25037 770 1 3 . 1 1 50 50 VAL N N 50 119.496 119.496 118.070 1.426 25037 771 1 3 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.436 -0.074 25037 772 1 3 . 1 1 50 50 VAL CA C 50 67.008 67.008 65.960 1.048 25037 773 1 3 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.057 0.702 25037 774 1 3 . 1 1 50 50 VAL H H 50 7.767 7.767 7.282 0.485 25037 775 1 3 . 1 1 51 51 SER N N 51 114.856 114.856 115.826 -0.970 25037 776 1 3 . 1 1 51 51 SER HA H 51 3.665 3.665 3.703 -0.038 25037 777 1 3 . 1 1 51 51 SER CA C 51 62.288 62.288 61.654 0.634 25037 778 1 3 . 1 1 51 51 SER CB C 51 62.823 62.823 62.738 0.085 25037 779 1 3 . 1 1 51 51 SER H H 51 8.296 8.296 8.570 -0.274 25037 780 1 3 . 1 1 52 52 GLN N N 52 120.482 120.482 119.801 0.681 25037 781 1 3 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.145 0.022 25037 782 1 3 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.516 0.663 25037 783 1 3 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.222 0.219 25037 784 1 3 . 1 1 52 52 GLN H H 52 8.012 8.012 7.849 0.163 25037 785 1 3 . 1 1 53 53 THR N N 53 117.745 117.745 117.840 -0.095 25037 786 1 3 . 1 1 53 53 THR HA H 53 3.981 3.981 4.068 -0.087 25037 787 1 3 . 1 1 53 53 THR CA C 53 67.070 67.070 66.501 0.569 25037 788 1 3 . 1 1 53 53 THR CB C 53 68.860 68.860 68.345 0.515 25037 789 1 3 . 1 1 53 53 THR H H 53 7.960 7.960 7.386 0.574 25037 790 1 3 . 1 1 54 54 LEU N N 54 122.166 122.166 121.524 0.642 25037 791 1 3 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.770 0.564 25037 792 1 3 . 1 1 54 54 LEU CA C 54 57.483 57.483 57.999 -0.516 25037 793 1 3 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.059 0.021 25037 794 1 3 . 1 1 54 54 LEU H H 54 8.376 8.376 8.299 0.077 25037 795 1 3 . 1 1 55 55 GLN N N 55 122.381 122.381 117.870 4.511 25037 796 1 3 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.986 0.074 25037 797 1 3 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.388 0.039 25037 798 1 3 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.235 -0.687 25037 799 1 3 . 1 1 55 55 GLN H H 55 9.086 9.086 8.468 0.618 25037 800 1 3 . 1 1 56 56 ARG N N 56 117.595 117.595 119.462 -1.867 25037 801 1 3 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.040 0.139 25037 802 1 3 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.465 -2.018 25037 803 1 3 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.055 0.137 25037 804 1 3 . 1 1 56 56 ARG H H 56 7.690 7.690 7.606 0.084 25037 805 1 3 . 1 1 57 57 TRP N N 57 120.743 120.743 121.812 -1.069 25037 806 1 3 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.392 -0.296 25037 807 1 3 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.508 -2.652 25037 808 1 3 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.422 -0.865 25037 809 1 3 . 1 1 57 57 TRP H H 57 7.754 7.754 7.770 -0.016 25037 810 1 3 . 1 1 58 58 LEU N N 58 121.472 121.472 120.202 1.270 25037 811 1 3 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.914 -0.234 25037 812 1 3 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.680 -0.502 25037 813 1 3 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.792 1.155 25037 814 1 3 . 1 1 58 58 LEU H H 58 8.699 8.699 8.973 -0.274 25037 815 1 3 . 1 1 59 59 GLU N N 59 117.216 117.216 118.912 -1.696 25037 816 1 3 . 1 1 59 59 GLU HA H 59 3.957 3.957 4.020 -0.063 25037 817 1 3 . 1 1 59 59 GLU CA C 59 58.835 58.835 60.079 -1.244 25037 818 1 3 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.375 0.449 25037 819 1 3 . 1 1 59 59 GLU H H 59 8.301 8.301 8.529 -0.228 25037 820 1 3 . 1 1 60 60 LYS N N 60 118.414 118.414 116.723 1.691 25037 821 1 3 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.146 -0.123 25037 822 1 3 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.198 -0.314 25037 823 1 3 . 1 1 60 60 LYS CB C 60 32.425 32.425 31.968 0.457 25037 824 1 3 . 1 1 60 60 LYS H H 60 7.499 7.499 7.443 0.056 25037 825 1 3 . 1 1 61 61 TYR N N 61 120.082 120.082 120.595 -0.513 25037 826 1 3 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.938 -0.189 25037 827 1 3 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.563 -1.513 25037 828 1 3 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.109 0.521 25037 829 1 3 . 1 1 61 61 TYR H H 61 7.852 7.852 8.189 -0.337 25037 830 1 3 . 1 1 62 62 HIS N N 62 117.180 117.180 115.654 1.526 25037 831 1 3 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.401 0.101 25037 832 1 3 . 1 1 62 62 HIS CA C 62 55.698 55.698 57.530 -1.832 25037 833 1 3 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.259 -0.024 25037 834 1 3 . 1 1 62 62 HIS H H 62 7.600 7.600 8.262 -0.662 25037 835 1 4 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.447 0.109 25037 836 1 4 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.938 0.262 25037 837 1 4 . 1 1 0 0 PRO CB C 0 32.310 32.310 31.821 0.489 25037 838 1 4 . 1 1 1 1 MET N N 1 122.140 122.140 123.756 -1.616 25037 839 1 4 . 1 1 1 1 MET HA H 1 4.507 4.507 4.478 0.029 25037 840 1 4 . 1 1 1 1 MET CB C 1 34.854 34.854 33.979 0.875 25037 841 1 4 . 1 1 1 1 MET H H 1 8.665 8.665 8.337 0.328 25037 842 1 4 . 1 1 2 2 ASN N N 2 121.514 121.514 120.506 1.008 25037 843 1 4 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.910 -0.103 25037 844 1 4 . 1 1 2 2 ASN CB C 2 39.205 39.205 40.205 -1.000 25037 845 1 4 . 1 1 2 2 ASN H H 2 8.927 8.927 8.582 0.345 25037 846 1 4 . 1 1 3 3 ILE N N 3 123.748 123.748 121.262 2.486 25037 847 1 4 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.841 0.118 25037 848 1 4 . 1 1 3 3 ILE CA C 3 65.293 65.293 65.808 -0.515 25037 849 1 4 . 1 1 3 3 ILE CB C 3 38.104 38.104 38.104 0.000 25037 850 1 4 . 1 1 3 3 ILE H H 3 8.721 8.721 8.719 0.002 25037 851 1 4 . 1 1 4 4 SER N N 4 115.783 115.783 114.737 1.046 25037 852 1 4 . 1 1 4 4 SER HA H 4 4.147 4.147 3.984 0.163 25037 853 1 4 . 1 1 4 4 SER CA C 4 61.528 61.528 62.118 -0.591 25037 854 1 4 . 1 1 4 4 SER CB C 4 62.284 62.284 62.244 0.040 25037 855 1 4 . 1 1 4 4 SER H H 4 8.386 8.386 8.413 -0.027 25037 856 1 4 . 1 1 5 5 ASP N N 5 122.493 122.493 122.154 0.339 25037 857 1 4 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.397 0.226 25037 858 1 4 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.732 0.110 25037 859 1 4 . 1 1 5 5 ASP H H 5 7.855 7.855 7.712 0.143 25037 860 1 4 . 1 1 6 6 ILE N N 6 123.982 123.982 119.787 4.195 25037 861 1 4 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.766 0.031 25037 862 1 4 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.512 -0.740 25037 863 1 4 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.158 0.166 25037 864 1 4 . 1 1 6 6 ILE H H 6 8.048 8.048 8.227 -0.179 25037 865 1 4 . 1 1 7 7 ARG N N 7 118.105 118.105 120.111 -2.006 25037 866 1 4 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.156 -0.339 25037 867 1 4 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.386 0.346 25037 868 1 4 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.409 0.638 25037 869 1 4 . 1 1 7 7 ARG H H 7 8.285 8.285 8.480 -0.195 25037 870 1 4 . 1 1 8 8 ALA N N 8 118.807 118.807 121.028 -2.221 25037 871 1 4 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.239 -0.116 25037 872 1 4 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.468 0.625 25037 873 1 4 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.228 0.325 25037 874 1 4 . 1 1 8 8 ALA H H 8 8.093 8.093 8.386 -0.293 25037 875 1 4 . 1 1 9 9 GLY N N 9 107.079 107.079 106.487 0.592 25037 876 1 4 . 1 1 9 9 GLY CA C 9 47.084 47.084 46.294 0.790 25037 877 1 4 . 1 1 9 9 GLY H H 9 8.358 8.358 7.783 0.575 25037 878 1 4 . 1 1 10 10 LEU N N 10 121.077 121.077 122.662 -1.585 25037 879 1 4 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.985 0.145 25037 880 1 4 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.951 0.028 25037 881 1 4 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.438 1.214 25037 882 1 4 . 1 1 10 10 LEU H H 10 8.116 8.116 7.680 0.436 25037 883 1 4 . 1 1 11 11 ARG N N 11 118.227 118.227 117.775 0.452 25037 884 1 4 . 1 1 11 11 ARG HA H 11 3.803 3.803 4.053 -0.250 25037 885 1 4 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.510 0.915 25037 886 1 4 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.329 0.992 25037 887 1 4 . 1 1 11 11 ARG H H 11 8.472 8.472 8.019 0.453 25037 888 1 4 . 1 1 12 12 THR N N 12 114.121 114.121 117.288 -3.167 25037 889 1 4 . 1 1 12 12 THR HA H 12 3.965 3.965 4.045 -0.080 25037 890 1 4 . 1 1 12 12 THR CA C 12 66.730 66.730 66.091 0.639 25037 891 1 4 . 1 1 12 12 THR CB C 12 69.178 69.178 68.515 0.663 25037 892 1 4 . 1 1 12 12 THR H H 12 8.180 8.180 7.408 0.772 25037 893 1 4 . 1 1 13 13 LEU N N 13 119.606 119.606 121.289 -1.683 25037 894 1 4 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.027 0.073 25037 895 1 4 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.078 -0.010 25037 896 1 4 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.800 1.218 25037 897 1 4 . 1 1 13 13 LEU H H 13 7.156 7.156 8.094 -0.938 25037 898 1 4 . 1 1 14 14 VAL N N 14 117.777 117.777 115.255 2.522 25037 899 1 4 . 1 1 14 14 VAL HA H 14 3.808 3.808 3.907 -0.099 25037 900 1 4 . 1 1 14 14 VAL CA C 14 65.464 65.464 65.126 0.338 25037 901 1 4 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.013 0.882 25037 902 1 4 . 1 1 14 14 VAL H H 14 7.785 7.785 7.813 -0.028 25037 903 1 4 . 1 1 15 15 GLU N N 15 123.041 123.041 120.850 2.191 25037 904 1 4 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.078 -0.009 25037 905 1 4 . 1 1 15 15 GLU CA C 15 57.624 57.624 59.087 -1.462 25037 906 1 4 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.160 0.036 25037 907 1 4 . 1 1 15 15 GLU H H 15 8.961 8.961 8.422 0.539 25037 908 1 4 . 1 1 16 16 ASN N N 16 114.935 114.935 114.764 0.171 25037 909 1 4 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.868 -0.041 25037 910 1 4 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.374 -0.848 25037 911 1 4 . 1 1 16 16 ASN H H 16 7.863 7.863 7.578 0.285 25037 912 1 4 . 1 1 17 17 GLU N N 17 113.841 113.841 115.174 -1.333 25037 913 1 4 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.969 0.101 25037 914 1 4 . 1 1 17 17 GLU CA C 17 57.624 57.624 58.018 -0.394 25037 915 1 4 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.286 1.858 25037 916 1 4 . 1 1 17 17 GLU H H 17 8.008 8.008 8.050 -0.042 25037 917 1 4 . 1 1 18 18 GLU N N 18 117.787 117.787 116.387 1.400 25037 918 1 4 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.150 0.160 25037 919 1 4 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.540 -0.287 25037 920 1 4 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.338 0.039 25037 921 1 4 . 1 1 18 18 GLU H H 18 8.517 8.517 8.048 0.469 25037 922 1 4 . 1 1 19 19 THR N N 19 110.292 110.292 111.186 -0.894 25037 923 1 4 . 1 1 19 19 THR HA H 19 4.562 4.562 4.758 -0.196 25037 924 1 4 . 1 1 19 19 THR CB C 19 68.196 68.196 70.334 -2.138 25037 925 1 4 . 1 1 19 19 THR H H 19 7.457 7.457 7.221 0.236 25037 926 1 4 . 1 1 20 20 THR N N 20 109.626 109.626 116.624 -6.998 25037 927 1 4 . 1 1 20 20 THR HA H 20 4.633 4.633 4.607 0.026 25037 928 1 4 . 1 1 20 20 THR H H 20 8.188 8.188 8.268 -0.080 25037 929 1 4 . 1 1 21 21 PHE N N 21 118.935 118.935 125.116 -6.181 25037 930 1 4 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.067 0.171 25037 931 1 4 . 1 1 21 21 PHE CA C 21 60.267 60.267 61.458 -1.191 25037 932 1 4 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.486 -0.690 25037 933 1 4 . 1 1 21 21 PHE H H 21 8.714 8.714 8.387 0.327 25037 934 1 4 . 1 1 22 22 LYS N N 22 116.962 116.962 119.099 -2.137 25037 935 1 4 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.930 -0.049 25037 936 1 4 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.925 -0.336 25037 937 1 4 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.880 0.633 25037 938 1 4 . 1 1 22 22 LYS H H 22 8.234 8.234 8.364 -0.130 25037 939 1 4 . 1 1 23 23 GLN N N 23 121.042 121.042 119.092 1.950 25037 940 1 4 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.112 -0.137 25037 941 1 4 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.724 0.250 25037 942 1 4 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.250 -0.310 25037 943 1 4 . 1 1 23 23 GLN H H 23 7.859 7.859 7.507 0.352 25037 944 1 4 . 1 1 24 24 ILE N N 24 118.125 118.125 120.464 -2.339 25037 945 1 4 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.077 -0.235 25037 946 1 4 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.284 -0.189 25037 947 1 4 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.248 0.530 25037 948 1 4 . 1 1 24 24 ILE H H 24 7.871 7.871 8.390 -0.519 25037 949 1 4 . 1 1 25 25 ALA N N 25 125.380 125.380 122.831 2.549 25037 950 1 4 . 1 1 25 25 ALA HA H 25 3.855 3.855 3.980 -0.125 25037 951 1 4 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.780 1.202 25037 952 1 4 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.530 0.784 25037 953 1 4 . 1 1 25 25 ALA H H 25 8.452 8.452 8.179 0.273 25037 954 1 4 . 1 1 26 26 LEU N N 26 119.285 119.285 119.476 -0.191 25037 955 1 4 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.953 0.088 25037 956 1 4 . 1 1 26 26 LEU CA C 26 57.976 57.976 58.062 -0.086 25037 957 1 4 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.771 0.566 25037 958 1 4 . 1 1 26 26 LEU H H 26 7.936 7.936 7.919 0.017 25037 959 1 4 . 1 1 27 27 GLU N N 27 115.748 115.748 117.683 -1.935 25037 960 1 4 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.116 0.093 25037 961 1 4 . 1 1 27 27 GLU CA C 27 58.243 58.243 59.303 -1.060 25037 962 1 4 . 1 1 27 27 GLU CB C 27 30.836 30.836 29.977 0.859 25037 963 1 4 . 1 1 27 27 GLU H H 27 8.050 8.050 8.505 -0.455 25037 964 1 4 . 1 1 28 28 SER N N 28 113.421 113.421 112.425 0.996 25037 965 1 4 . 1 1 28 28 SER HA H 28 4.597 4.597 4.277 0.320 25037 966 1 4 . 1 1 28 28 SER CB C 28 65.743 65.743 63.913 1.830 25037 967 1 4 . 1 1 28 28 SER H H 28 8.476 8.476 8.282 0.194 25037 968 1 4 . 1 1 29 29 GLY N N 29 112.001 112.001 110.481 1.520 25037 969 1 4 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.309 0.584 25037 970 1 4 . 1 1 29 29 GLY H H 29 8.074 8.074 7.982 0.092 25037 971 1 4 . 1 1 30 30 LEU N N 30 120.750 120.750 119.219 1.531 25037 972 1 4 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.354 0.255 25037 973 1 4 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.870 1.308 25037 974 1 4 . 1 1 30 30 LEU H H 30 7.545 7.545 7.440 0.105 25037 975 1 4 . 1 1 31 31 SER N N 31 113.993 113.993 114.262 -0.269 25037 976 1 4 . 1 1 31 31 SER HA H 31 4.568 4.568 4.522 0.046 25037 977 1 4 . 1 1 31 31 SER CB C 31 64.928 64.928 64.514 0.414 25037 978 1 4 . 1 1 31 31 SER H H 31 8.326 8.326 8.244 0.082 25037 979 1 4 . 1 1 32 32 THR HA H 32 3.606 3.606 4.043 -0.437 25037 980 1 4 . 1 1 32 32 THR CA C 32 66.547 66.547 64.710 1.837 25037 981 1 4 . 1 1 32 32 THR CB C 32 67.740 67.740 68.397 -0.657 25037 982 1 4 . 1 1 33 33 GLY CA C 33 46.761 46.761 46.550 0.212 25037 983 1 4 . 1 1 33 33 GLY H H 33 7.877 7.877 7.748 0.129 25037 984 1 4 . 1 1 34 34 THR N N 34 121.948 121.948 119.524 2.424 25037 985 1 4 . 1 1 34 34 THR HA H 34 3.737 3.737 4.072 -0.335 25037 986 1 4 . 1 1 34 34 THR CA C 34 66.578 66.578 66.494 0.084 25037 987 1 4 . 1 1 34 34 THR CB C 34 67.956 67.956 68.622 -0.666 25037 988 1 4 . 1 1 34 34 THR H H 34 7.877 7.877 7.277 0.600 25037 989 1 4 . 1 1 35 35 ILE N N 35 120.301 120.301 121.162 -0.861 25037 990 1 4 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.474 -0.275 25037 991 1 4 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.674 -0.160 25037 992 1 4 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.610 0.259 25037 993 1 4 . 1 1 35 35 ILE H H 35 7.750 7.750 7.647 0.103 25037 994 1 4 . 1 1 36 36 SER N N 36 113.120 113.120 114.447 -1.327 25037 995 1 4 . 1 1 36 36 SER HA H 36 3.535 3.535 3.854 -0.319 25037 996 1 4 . 1 1 36 36 SER CA C 36 61.365 61.365 62.008 -0.643 25037 997 1 4 . 1 1 36 36 SER CB C 36 62.114 62.114 62.264 -0.150 25037 998 1 4 . 1 1 36 36 SER H H 36 8.322 8.322 7.590 0.732 25037 999 1 4 . 1 1 37 37 SER N N 37 116.941 116.941 118.795 -1.854 25037 1000 1 4 . 1 1 37 37 SER HA H 37 4.196 4.196 4.195 0.001 25037 1001 1 4 . 1 1 37 37 SER CA C 37 61.201 61.201 61.903 -0.702 25037 1002 1 4 . 1 1 37 37 SER CB C 37 63.821 63.821 63.116 0.705 25037 1003 1 4 . 1 1 37 37 SER H H 37 8.096 8.096 7.474 0.622 25037 1004 1 4 . 1 1 38 38 PHE N N 38 123.225 123.225 122.885 0.340 25037 1005 1 4 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.212 0.142 25037 1006 1 4 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.620 0.279 25037 1007 1 4 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.181 0.129 25037 1008 1 4 . 1 1 38 38 PHE H H 38 8.541 8.541 8.270 0.271 25037 1009 1 4 . 1 1 39 39 ILE N N 39 121.189 121.189 119.134 2.055 25037 1010 1 4 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.527 -0.097 25037 1011 1 4 . 1 1 39 39 ILE CA C 39 65.804 65.804 65.224 0.580 25037 1012 1 4 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.898 -0.040 25037 1013 1 4 . 1 1 39 39 ILE H H 39 8.619 8.619 8.266 0.353 25037 1014 1 4 . 1 1 40 40 ASN N N 40 115.447 115.447 114.113 1.334 25037 1015 1 4 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.515 0.133 25037 1016 1 4 . 1 1 40 40 ASN CB C 40 39.243 39.243 39.050 0.193 25037 1017 1 4 . 1 1 40 40 ASN H H 40 7.547 7.547 8.155 -0.608 25037 1018 1 4 . 1 1 41 41 ASP N N 41 119.335 119.335 116.170 3.165 25037 1019 1 4 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.314 0.079 25037 1020 1 4 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.272 -0.741 25037 1021 1 4 . 1 1 41 41 ASP CB C 41 39.581 39.581 38.990 0.591 25037 1022 1 4 . 1 1 41 41 ASP H H 41 7.933 7.933 7.647 0.286 25037 1023 1 4 . 1 1 42 42 LYS N N 42 117.025 117.025 116.456 0.569 25037 1024 1 4 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.492 0.028 25037 1025 1 4 . 1 1 42 42 LYS CB C 42 33.693 33.693 34.590 -0.897 25037 1026 1 4 . 1 1 42 42 LYS H H 42 8.418 8.418 8.374 0.044 25037 1027 1 4 . 1 1 43 43 TYR N N 43 122.804 122.804 122.601 0.203 25037 1028 1 4 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.347 0.316 25037 1029 1 4 . 1 1 43 43 TYR CB C 43 38.132 38.132 38.110 0.022 25037 1030 1 4 . 1 1 43 43 TYR H H 43 8.437 8.437 7.680 0.757 25037 1031 1 4 . 1 1 44 44 ASN CB C 44 38.647 38.647 38.815 -0.168 25037 1032 1 4 . 1 1 45 45 GLY CA C 45 45.034 45.034 43.807 1.227 25037 1033 1 4 . 1 1 46 46 ASP CB C 46 40.065 40.065 40.245 -0.180 25037 1034 1 4 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.688 -0.168 25037 1035 1 4 . 1 1 47 47 ASN CA C 47 54.705 54.705 57.481 -2.776 25037 1036 1 4 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.741 1.521 25037 1037 1 4 . 1 1 47 47 ASN H H 47 8.291 8.291 8.395 -0.104 25037 1038 1 4 . 1 1 48 48 GLU N N 48 121.849 121.849 119.799 2.050 25037 1039 1 4 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.098 0.029 25037 1040 1 4 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.787 0.265 25037 1041 1 4 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.520 -0.365 25037 1042 1 4 . 1 1 48 48 GLU H H 48 8.695 8.695 8.776 -0.081 25037 1043 1 4 . 1 1 49 49 ARG N N 49 120.467 120.467 119.592 0.875 25037 1044 1 4 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.002 0.103 25037 1045 1 4 . 1 1 49 49 ARG CA C 49 59.130 59.130 59.442 -0.312 25037 1046 1 4 . 1 1 49 49 ARG CB C 49 30.078 30.078 29.862 0.216 25037 1047 1 4 . 1 1 49 49 ARG H H 49 7.958 7.958 8.339 -0.381 25037 1048 1 4 . 1 1 50 50 VAL N N 50 119.496 119.496 118.421 1.075 25037 1049 1 4 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.461 -0.099 25037 1050 1 4 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.344 0.664 25037 1051 1 4 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.203 0.555 25037 1052 1 4 . 1 1 50 50 VAL H H 50 7.767 7.767 8.004 -0.237 25037 1053 1 4 . 1 1 51 51 SER N N 51 114.856 114.856 116.018 -1.162 25037 1054 1 4 . 1 1 51 51 SER HA H 51 3.665 3.665 3.639 0.026 25037 1055 1 4 . 1 1 51 51 SER CA C 51 62.288 62.288 61.725 0.562 25037 1056 1 4 . 1 1 51 51 SER CB C 51 62.823 62.823 62.981 -0.158 25037 1057 1 4 . 1 1 51 51 SER H H 51 8.296 8.296 8.392 -0.096 25037 1058 1 4 . 1 1 52 52 GLN N N 52 120.482 120.482 118.904 1.578 25037 1059 1 4 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.084 0.083 25037 1060 1 4 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.487 0.692 25037 1061 1 4 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.021 0.420 25037 1062 1 4 . 1 1 52 52 GLN H H 52 8.012 8.012 8.710 -0.698 25037 1063 1 4 . 1 1 53 53 THR N N 53 117.745 117.745 117.664 0.081 25037 1064 1 4 . 1 1 53 53 THR HA H 53 3.981 3.981 4.098 -0.117 25037 1065 1 4 . 1 1 53 53 THR CA C 53 67.070 67.070 66.170 0.900 25037 1066 1 4 . 1 1 53 53 THR CB C 53 68.860 68.860 68.498 0.362 25037 1067 1 4 . 1 1 53 53 THR H H 53 7.960 7.960 7.499 0.461 25037 1068 1 4 . 1 1 54 54 LEU N N 54 122.166 122.166 122.028 0.138 25037 1069 1 4 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.858 0.476 25037 1070 1 4 . 1 1 54 54 LEU CA C 54 57.483 57.483 58.223 -0.740 25037 1071 1 4 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.064 0.016 25037 1072 1 4 . 1 1 54 54 LEU H H 54 8.376 8.376 8.335 0.041 25037 1073 1 4 . 1 1 55 55 GLN N N 55 122.381 122.381 118.700 3.681 25037 1074 1 4 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.951 0.109 25037 1075 1 4 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.641 -0.214 25037 1076 1 4 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.281 -0.733 25037 1077 1 4 . 1 1 55 55 GLN H H 55 9.086 9.086 8.683 0.403 25037 1078 1 4 . 1 1 56 56 ARG N N 56 117.595 117.595 119.014 -1.419 25037 1079 1 4 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.298 -0.119 25037 1080 1 4 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.328 -1.881 25037 1081 1 4 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.156 0.036 25037 1082 1 4 . 1 1 56 56 ARG H H 56 7.690 7.690 7.731 -0.041 25037 1083 1 4 . 1 1 57 57 TRP N N 57 120.743 120.743 122.005 -1.262 25037 1084 1 4 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.387 -0.291 25037 1085 1 4 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.685 -2.829 25037 1086 1 4 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.253 -0.696 25037 1087 1 4 . 1 1 57 57 TRP H H 57 7.754 7.754 7.669 0.085 25037 1088 1 4 . 1 1 58 58 LEU N N 58 121.472 121.472 120.366 1.106 25037 1089 1 4 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.522 0.158 25037 1090 1 4 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.176 0.002 25037 1091 1 4 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.828 1.119 25037 1092 1 4 . 1 1 58 58 LEU H H 58 8.699 8.699 8.985 -0.286 25037 1093 1 4 . 1 1 59 59 GLU N N 59 117.216 117.216 119.413 -2.197 25037 1094 1 4 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.959 -0.002 25037 1095 1 4 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.610 -0.775 25037 1096 1 4 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.682 0.142 25037 1097 1 4 . 1 1 59 59 GLU H H 59 8.301 8.301 8.711 -0.410 25037 1098 1 4 . 1 1 60 60 LYS N N 60 118.414 118.414 117.526 0.888 25037 1099 1 4 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.087 -0.064 25037 1100 1 4 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.306 -0.422 25037 1101 1 4 . 1 1 60 60 LYS CB C 60 32.425 32.425 32.485 -0.060 25037 1102 1 4 . 1 1 60 60 LYS H H 60 7.499 7.499 7.606 -0.107 25037 1103 1 4 . 1 1 61 61 TYR N N 61 120.082 120.082 122.201 -2.119 25037 1104 1 4 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.961 -0.212 25037 1105 1 4 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.955 -1.905 25037 1106 1 4 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.070 0.560 25037 1107 1 4 . 1 1 61 61 TYR H H 61 7.852 7.852 7.820 0.032 25037 1108 1 4 . 1 1 62 62 HIS N N 62 117.180 117.180 114.473 2.707 25037 1109 1 4 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.492 0.010 25037 1110 1 4 . 1 1 62 62 HIS CA C 62 55.698 55.698 56.565 -0.867 25037 1111 1 4 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.146 0.089 25037 1112 1 4 . 1 1 62 62 HIS H H 62 7.600 7.600 8.306 -0.706 25037 1113 1 5 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.524 0.032 25037 1114 1 5 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.986 0.213 25037 1115 1 5 . 1 1 0 0 PRO CB C 0 32.310 32.310 32.402 -0.092 25037 1116 1 5 . 1 1 1 1 MET N N 1 122.140 122.140 119.513 2.627 25037 1117 1 5 . 1 1 1 1 MET HA H 1 4.507 4.507 4.811 -0.304 25037 1118 1 5 . 1 1 1 1 MET CB C 1 34.854 34.854 34.759 0.095 25037 1119 1 5 . 1 1 1 1 MET H H 1 8.665 8.665 8.200 0.465 25037 1120 1 5 . 1 1 2 2 ASN N N 2 121.514 121.514 123.266 -1.752 25037 1121 1 5 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.689 0.118 25037 1122 1 5 . 1 1 2 2 ASN CB C 2 39.205 39.205 39.477 -0.272 25037 1123 1 5 . 1 1 2 2 ASN H H 2 8.927 8.927 8.468 0.459 25037 1124 1 5 . 1 1 3 3 ILE N N 3 123.748 123.748 120.579 3.169 25037 1125 1 5 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.753 0.206 25037 1126 1 5 . 1 1 3 3 ILE CA C 3 65.293 65.293 64.298 0.995 25037 1127 1 5 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.685 0.419 25037 1128 1 5 . 1 1 3 3 ILE H H 3 8.721 8.721 8.686 0.035 25037 1129 1 5 . 1 1 4 4 SER N N 4 115.783 115.783 114.728 1.055 25037 1130 1 5 . 1 1 4 4 SER HA H 4 4.147 4.147 4.125 0.022 25037 1131 1 5 . 1 1 4 4 SER CA C 4 61.528 61.528 61.514 0.014 25037 1132 1 5 . 1 1 4 4 SER CB C 4 62.284 62.284 62.248 0.035 25037 1133 1 5 . 1 1 4 4 SER H H 4 8.386 8.386 8.420 -0.034 25037 1134 1 5 . 1 1 5 5 ASP N N 5 122.493 122.493 122.508 -0.015 25037 1135 1 5 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.618 0.005 25037 1136 1 5 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.785 0.057 25037 1137 1 5 . 1 1 5 5 ASP H H 5 7.855 7.855 7.853 0.002 25037 1138 1 5 . 1 1 6 6 ILE N N 6 123.982 123.982 119.961 4.021 25037 1139 1 5 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.766 0.031 25037 1140 1 5 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.403 -0.631 25037 1141 1 5 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.106 0.218 25037 1142 1 5 . 1 1 6 6 ILE H H 6 8.048 8.048 7.435 0.613 25037 1143 1 5 . 1 1 7 7 ARG N N 7 118.105 118.105 118.574 -0.469 25037 1144 1 5 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.264 -0.447 25037 1145 1 5 . 1 1 7 7 ARG CA C 7 59.732 59.732 58.956 0.776 25037 1146 1 5 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.708 0.339 25037 1147 1 5 . 1 1 7 7 ARG H H 7 8.285 8.285 7.938 0.347 25037 1148 1 5 . 1 1 8 8 ALA N N 8 118.807 118.807 122.498 -3.691 25037 1149 1 5 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.158 -0.035 25037 1150 1 5 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.737 0.356 25037 1151 1 5 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.091 0.462 25037 1152 1 5 . 1 1 8 8 ALA H H 8 8.093 8.093 7.210 0.883 25037 1153 1 5 . 1 1 9 9 GLY N N 9 107.079 107.079 106.628 0.451 25037 1154 1 5 . 1 1 9 9 GLY CA C 9 47.084 47.084 47.127 -0.042 25037 1155 1 5 . 1 1 9 9 GLY H H 9 8.358 8.358 7.787 0.571 25037 1156 1 5 . 1 1 10 10 LEU N N 10 121.077 121.077 121.132 -0.055 25037 1157 1 5 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.961 0.169 25037 1158 1 5 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.442 0.537 25037 1159 1 5 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.422 1.230 25037 1160 1 5 . 1 1 10 10 LEU H H 10 8.116 8.116 7.529 0.587 25037 1161 1 5 . 1 1 11 11 ARG N N 11 118.227 118.227 118.955 -0.728 25037 1162 1 5 . 1 1 11 11 ARG HA H 11 3.803 3.803 4.030 -0.227 25037 1163 1 5 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.819 0.606 25037 1164 1 5 . 1 1 11 11 ARG CB C 11 30.321 30.321 30.095 0.226 25037 1165 1 5 . 1 1 11 11 ARG H H 11 8.472 8.472 7.893 0.579 25037 1166 1 5 . 1 1 12 12 THR N N 12 114.121 114.121 117.530 -3.409 25037 1167 1 5 . 1 1 12 12 THR HA H 12 3.965 3.965 3.989 -0.024 25037 1168 1 5 . 1 1 12 12 THR CA C 12 66.730 66.730 66.553 0.177 25037 1169 1 5 . 1 1 12 12 THR CB C 12 69.178 69.178 68.589 0.589 25037 1170 1 5 . 1 1 12 12 THR H H 12 8.180 8.180 7.642 0.538 25037 1171 1 5 . 1 1 13 13 LEU N N 13 119.606 119.606 120.807 -1.201 25037 1172 1 5 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.143 -0.043 25037 1173 1 5 . 1 1 13 13 LEU CA C 13 58.068 58.068 57.954 0.114 25037 1174 1 5 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.787 1.232 25037 1175 1 5 . 1 1 13 13 LEU H H 13 7.156 7.156 8.229 -1.073 25037 1176 1 5 . 1 1 14 14 VAL N N 14 117.777 117.777 115.900 1.877 25037 1177 1 5 . 1 1 14 14 VAL HA H 14 3.808 3.808 4.059 -0.251 25037 1178 1 5 . 1 1 14 14 VAL CA C 14 65.464 65.464 65.138 0.326 25037 1179 1 5 . 1 1 14 14 VAL CB C 14 31.895 31.895 30.618 1.277 25037 1180 1 5 . 1 1 14 14 VAL H H 14 7.785 7.785 7.899 -0.114 25037 1181 1 5 . 1 1 15 15 GLU N N 15 123.041 123.041 121.948 1.093 25037 1182 1 5 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.091 -0.022 25037 1183 1 5 . 1 1 15 15 GLU CA C 15 57.624 57.624 59.212 -1.588 25037 1184 1 5 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.268 -0.072 25037 1185 1 5 . 1 1 15 15 GLU H H 15 8.961 8.961 8.508 0.453 25037 1186 1 5 . 1 1 16 16 ASN N N 16 114.935 114.935 114.418 0.517 25037 1187 1 5 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.861 -0.034 25037 1188 1 5 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.132 -0.606 25037 1189 1 5 . 1 1 16 16 ASN H H 16 7.863 7.863 7.559 0.304 25037 1190 1 5 . 1 1 17 17 GLU N N 17 113.841 113.841 115.238 -1.397 25037 1191 1 5 . 1 1 17 17 GLU HA H 17 4.070 4.070 4.002 0.068 25037 1192 1 5 . 1 1 17 17 GLU CA C 17 57.624 57.624 57.930 -0.306 25037 1193 1 5 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.503 1.641 25037 1194 1 5 . 1 1 17 17 GLU H H 17 8.008 8.008 8.128 -0.120 25037 1195 1 5 . 1 1 18 18 GLU N N 18 117.787 117.787 116.248 1.539 25037 1196 1 5 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.212 0.098 25037 1197 1 5 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.345 -0.092 25037 1198 1 5 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.202 0.175 25037 1199 1 5 . 1 1 18 18 GLU H H 18 8.517 8.517 8.203 0.314 25037 1200 1 5 . 1 1 19 19 THR N N 19 110.292 110.292 111.757 -1.465 25037 1201 1 5 . 1 1 19 19 THR HA H 19 4.562 4.562 4.647 -0.085 25037 1202 1 5 . 1 1 19 19 THR CB C 19 68.196 68.196 70.714 -2.518 25037 1203 1 5 . 1 1 19 19 THR H H 19 7.457 7.457 7.326 0.131 25037 1204 1 5 . 1 1 20 20 THR N N 20 109.626 109.626 113.106 -3.480 25037 1205 1 5 . 1 1 20 20 THR HA H 20 4.633 4.633 4.657 -0.024 25037 1206 1 5 . 1 1 20 20 THR H H 20 8.188 8.188 8.076 0.112 25037 1207 1 5 . 1 1 21 21 PHE N N 21 118.935 118.935 121.467 -2.532 25037 1208 1 5 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.077 0.161 25037 1209 1 5 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.241 -1.974 25037 1210 1 5 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.357 -0.561 25037 1211 1 5 . 1 1 21 21 PHE H H 21 8.714 8.714 8.779 -0.065 25037 1212 1 5 . 1 1 22 22 LYS N N 22 116.962 116.962 117.810 -0.848 25037 1213 1 5 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.983 -0.102 25037 1214 1 5 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.950 -0.361 25037 1215 1 5 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.948 0.565 25037 1216 1 5 . 1 1 22 22 LYS H H 22 8.234 8.234 8.491 -0.257 25037 1217 1 5 . 1 1 23 23 GLN N N 23 121.042 121.042 119.896 1.146 25037 1218 1 5 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.137 -0.162 25037 1219 1 5 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.493 0.481 25037 1220 1 5 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.184 -0.244 25037 1221 1 5 . 1 1 23 23 GLN H H 23 7.859 7.859 7.735 0.124 25037 1222 1 5 . 1 1 24 24 ILE N N 24 118.125 118.125 120.003 -1.878 25037 1223 1 5 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.378 -0.536 25037 1224 1 5 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.338 -0.243 25037 1225 1 5 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.312 0.466 25037 1226 1 5 . 1 1 24 24 ILE H H 24 7.871 7.871 8.616 -0.745 25037 1227 1 5 . 1 1 25 25 ALA N N 25 125.380 125.380 123.149 2.231 25037 1228 1 5 . 1 1 25 25 ALA HA H 25 3.855 3.855 4.070 -0.215 25037 1229 1 5 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.787 1.195 25037 1230 1 5 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.626 0.688 25037 1231 1 5 . 1 1 25 25 ALA H H 25 8.452 8.452 7.788 0.664 25037 1232 1 5 . 1 1 26 26 LEU N N 26 119.285 119.285 118.126 1.159 25037 1233 1 5 . 1 1 26 26 LEU HA H 26 4.041 4.041 4.054 -0.013 25037 1234 1 5 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.695 0.281 25037 1235 1 5 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.797 0.540 25037 1236 1 5 . 1 1 26 26 LEU H H 26 7.936 7.936 8.179 -0.243 25037 1237 1 5 . 1 1 27 27 GLU N N 27 115.748 115.748 118.346 -2.598 25037 1238 1 5 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.251 -0.042 25037 1239 1 5 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.694 -0.451 25037 1240 1 5 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.299 0.537 25037 1241 1 5 . 1 1 27 27 GLU H H 27 8.050 8.050 8.140 -0.090 25037 1242 1 5 . 1 1 28 28 SER N N 28 113.421 113.421 112.587 0.834 25037 1243 1 5 . 1 1 28 28 SER HA H 28 4.597 4.597 4.333 0.264 25037 1244 1 5 . 1 1 28 28 SER CB C 28 65.743 65.743 64.344 1.399 25037 1245 1 5 . 1 1 28 28 SER H H 28 8.476 8.476 8.361 0.115 25037 1246 1 5 . 1 1 29 29 GLY N N 29 112.001 112.001 110.699 1.302 25037 1247 1 5 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.668 0.225 25037 1248 1 5 . 1 1 29 29 GLY H H 29 8.074 8.074 7.864 0.210 25037 1249 1 5 . 1 1 30 30 LEU N N 30 120.750 120.750 119.617 1.133 25037 1250 1 5 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.410 0.199 25037 1251 1 5 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.599 1.578 25037 1252 1 5 . 1 1 30 30 LEU H H 30 7.545 7.545 7.279 0.266 25037 1253 1 5 . 1 1 31 31 SER N N 31 113.993 113.993 115.151 -1.158 25037 1254 1 5 . 1 1 31 31 SER HA H 31 4.568 4.568 4.548 0.020 25037 1255 1 5 . 1 1 31 31 SER CB C 31 64.928 64.928 64.529 0.399 25037 1256 1 5 . 1 1 31 31 SER H H 31 8.326 8.326 8.379 -0.053 25037 1257 1 5 . 1 1 32 32 THR HA H 32 3.606 3.606 4.121 -0.515 25037 1258 1 5 . 1 1 32 32 THR CA C 32 66.547 66.547 65.571 0.976 25037 1259 1 5 . 1 1 32 32 THR CB C 32 67.740 67.740 68.759 -1.019 25037 1260 1 5 . 1 1 33 33 GLY CA C 33 46.761 46.761 46.776 -0.015 25037 1261 1 5 . 1 1 33 33 GLY H H 33 7.877 7.877 8.451 -0.574 25037 1262 1 5 . 1 1 34 34 THR N N 34 121.948 121.948 119.880 2.068 25037 1263 1 5 . 1 1 34 34 THR HA H 34 3.737 3.737 3.637 0.100 25037 1264 1 5 . 1 1 34 34 THR CA C 34 66.578 66.578 66.313 0.265 25037 1265 1 5 . 1 1 34 34 THR CB C 34 67.956 67.956 68.402 -0.446 25037 1266 1 5 . 1 1 34 34 THR H H 34 7.877 7.877 7.310 0.567 25037 1267 1 5 . 1 1 35 35 ILE N N 35 120.301 120.301 121.197 -0.896 25037 1268 1 5 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.478 -0.279 25037 1269 1 5 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.731 -0.216 25037 1270 1 5 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.718 0.151 25037 1271 1 5 . 1 1 35 35 ILE H H 35 7.750 7.750 7.427 0.323 25037 1272 1 5 . 1 1 36 36 SER N N 36 113.120 113.120 114.386 -1.266 25037 1273 1 5 . 1 1 36 36 SER HA H 36 3.535 3.535 4.164 -0.629 25037 1274 1 5 . 1 1 36 36 SER CA C 36 61.365 61.365 61.513 -0.148 25037 1275 1 5 . 1 1 36 36 SER CB C 36 62.114 62.114 62.356 -0.242 25037 1276 1 5 . 1 1 36 36 SER H H 36 8.322 8.322 7.681 0.641 25037 1277 1 5 . 1 1 37 37 SER N N 37 116.941 116.941 118.839 -1.898 25037 1278 1 5 . 1 1 37 37 SER HA H 37 4.196 4.196 4.177 0.019 25037 1279 1 5 . 1 1 37 37 SER CA C 37 61.201 61.201 61.357 -0.156 25037 1280 1 5 . 1 1 37 37 SER CB C 37 63.821 63.821 63.220 0.601 25037 1281 1 5 . 1 1 37 37 SER H H 37 8.096 8.096 7.960 0.136 25037 1282 1 5 . 1 1 38 38 PHE N N 38 123.225 123.225 122.808 0.417 25037 1283 1 5 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.235 0.119 25037 1284 1 5 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.834 0.065 25037 1285 1 5 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.119 0.191 25037 1286 1 5 . 1 1 38 38 PHE H H 38 8.541 8.541 8.546 -0.005 25037 1287 1 5 . 1 1 39 39 ILE N N 39 121.189 121.189 119.710 1.479 25037 1288 1 5 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.441 -0.011 25037 1289 1 5 . 1 1 39 39 ILE CA C 39 65.804 65.804 65.260 0.544 25037 1290 1 5 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.895 -0.037 25037 1291 1 5 . 1 1 39 39 ILE H H 39 8.619 8.619 8.399 0.220 25037 1292 1 5 . 1 1 40 40 ASN N N 40 115.447 115.447 116.219 -0.772 25037 1293 1 5 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.538 0.110 25037 1294 1 5 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.723 0.520 25037 1295 1 5 . 1 1 40 40 ASN H H 40 7.547 7.547 7.923 -0.376 25037 1296 1 5 . 1 1 41 41 ASP N N 41 119.335 119.335 117.734 1.601 25037 1297 1 5 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.187 0.206 25037 1298 1 5 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.619 -1.088 25037 1299 1 5 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.362 0.219 25037 1300 1 5 . 1 1 41 41 ASP H H 41 7.933 7.933 7.826 0.107 25037 1301 1 5 . 1 1 42 42 LYS N N 42 117.025 117.025 116.252 0.773 25037 1302 1 5 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.472 0.048 25037 1303 1 5 . 1 1 42 42 LYS CB C 42 33.693 33.693 34.739 -1.046 25037 1304 1 5 . 1 1 42 42 LYS H H 42 8.418 8.418 8.248 0.170 25037 1305 1 5 . 1 1 43 43 TYR N N 43 122.804 122.804 121.750 1.054 25037 1306 1 5 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.440 0.223 25037 1307 1 5 . 1 1 43 43 TYR CB C 43 38.132 38.132 39.602 -1.470 25037 1308 1 5 . 1 1 43 43 TYR H H 43 8.437 8.437 7.748 0.689 25037 1309 1 5 . 1 1 44 44 ASN CB C 44 38.647 38.647 40.618 -1.971 25037 1310 1 5 . 1 1 45 45 GLY CA C 45 45.034 45.034 45.121 -0.087 25037 1311 1 5 . 1 1 46 46 ASP CB C 46 40.065 40.065 40.202 -0.137 25037 1312 1 5 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.752 -0.232 25037 1313 1 5 . 1 1 47 47 ASN CA C 47 54.705 54.705 56.486 -1.782 25037 1314 1 5 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.592 1.670 25037 1315 1 5 . 1 1 47 47 ASN H H 47 8.291 8.291 8.793 -0.502 25037 1316 1 5 . 1 1 48 48 GLU N N 48 121.849 121.849 119.646 2.203 25037 1317 1 5 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.214 -0.087 25037 1318 1 5 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.337 0.715 25037 1319 1 5 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.479 -0.324 25037 1320 1 5 . 1 1 48 48 GLU H H 48 8.695 8.695 8.927 -0.232 25037 1321 1 5 . 1 1 49 49 ARG N N 49 120.467 120.467 120.668 -0.201 25037 1322 1 5 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.116 -0.011 25037 1323 1 5 . 1 1 49 49 ARG CA C 49 59.130 59.130 58.660 0.471 25037 1324 1 5 . 1 1 49 49 ARG CB C 49 30.078 30.078 29.651 0.427 25037 1325 1 5 . 1 1 49 49 ARG H H 49 7.958 7.958 7.659 0.299 25037 1326 1 5 . 1 1 50 50 VAL N N 50 119.496 119.496 118.868 0.628 25037 1327 1 5 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.409 -0.047 25037 1328 1 5 . 1 1 50 50 VAL CA C 50 67.008 67.008 67.037 -0.029 25037 1329 1 5 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.436 0.323 25037 1330 1 5 . 1 1 50 50 VAL H H 50 7.767 7.767 8.046 -0.279 25037 1331 1 5 . 1 1 51 51 SER N N 51 114.856 114.856 115.137 -0.281 25037 1332 1 5 . 1 1 51 51 SER HA H 51 3.665 3.665 3.800 -0.135 25037 1333 1 5 . 1 1 51 51 SER CA C 51 62.288 62.288 61.842 0.446 25037 1334 1 5 . 1 1 51 51 SER CB C 51 62.823 62.823 62.929 -0.106 25037 1335 1 5 . 1 1 51 51 SER H H 51 8.296 8.296 8.429 -0.133 25037 1336 1 5 . 1 1 52 52 GLN N N 52 120.482 120.482 120.472 0.010 25037 1337 1 5 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.144 0.023 25037 1338 1 5 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.437 0.742 25037 1339 1 5 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.246 0.195 25037 1340 1 5 . 1 1 52 52 GLN H H 52 8.012 8.012 7.729 0.283 25037 1341 1 5 . 1 1 53 53 THR N N 53 117.745 117.745 117.443 0.302 25037 1342 1 5 . 1 1 53 53 THR HA H 53 3.981 3.981 4.068 -0.087 25037 1343 1 5 . 1 1 53 53 THR CA C 53 67.070 67.070 66.550 0.520 25037 1344 1 5 . 1 1 53 53 THR CB C 53 68.860 68.860 68.530 0.330 25037 1345 1 5 . 1 1 53 53 THR H H 53 7.960 7.960 7.985 -0.025 25037 1346 1 5 . 1 1 54 54 LEU N N 54 122.166 122.166 121.742 0.424 25037 1347 1 5 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.871 0.463 25037 1348 1 5 . 1 1 54 54 LEU CA C 54 57.483 57.483 57.814 -0.331 25037 1349 1 5 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.224 -0.144 25037 1350 1 5 . 1 1 54 54 LEU H H 54 8.376 8.376 8.214 0.162 25037 1351 1 5 . 1 1 55 55 GLN N N 55 122.381 122.381 118.886 3.495 25037 1352 1 5 . 1 1 55 55 GLN HA H 55 4.060 4.060 4.017 0.043 25037 1353 1 5 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.740 -0.313 25037 1354 1 5 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.382 -0.834 25037 1355 1 5 . 1 1 55 55 GLN H H 55 9.086 9.086 8.205 0.881 25037 1356 1 5 . 1 1 56 56 ARG N N 56 117.595 117.595 119.361 -1.766 25037 1357 1 5 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.056 0.123 25037 1358 1 5 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.383 -1.935 25037 1359 1 5 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.103 0.089 25037 1360 1 5 . 1 1 56 56 ARG H H 56 7.690 7.690 7.636 0.054 25037 1361 1 5 . 1 1 57 57 TRP N N 57 120.743 120.743 121.755 -1.012 25037 1362 1 5 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.374 -0.278 25037 1363 1 5 . 1 1 57 57 TRP CA C 57 58.856 58.856 60.934 -2.079 25037 1364 1 5 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.483 -0.926 25037 1365 1 5 . 1 1 57 57 TRP H H 57 7.754 7.754 7.680 0.074 25037 1366 1 5 . 1 1 58 58 LEU N N 58 121.472 121.472 120.573 0.899 25037 1367 1 5 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.905 -0.225 25037 1368 1 5 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.697 -0.519 25037 1369 1 5 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.928 1.019 25037 1370 1 5 . 1 1 58 58 LEU H H 58 8.699 8.699 8.838 -0.139 25037 1371 1 5 . 1 1 59 59 GLU N N 59 117.216 117.216 119.412 -2.196 25037 1372 1 5 . 1 1 59 59 GLU HA H 59 3.957 3.957 4.032 -0.075 25037 1373 1 5 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.620 -0.785 25037 1374 1 5 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.306 0.518 25037 1375 1 5 . 1 1 59 59 GLU H H 59 8.301 8.301 8.547 -0.246 25037 1376 1 5 . 1 1 60 60 LYS N N 60 118.414 118.414 117.483 0.931 25037 1377 1 5 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.048 -0.025 25037 1378 1 5 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.624 -0.740 25037 1379 1 5 . 1 1 60 60 LYS CB C 60 32.425 32.425 32.008 0.416 25037 1380 1 5 . 1 1 60 60 LYS H H 60 7.499 7.499 7.539 -0.040 25037 1381 1 5 . 1 1 61 61 TYR N N 61 120.082 120.082 120.125 -0.043 25037 1382 1 5 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.832 -0.083 25037 1383 1 5 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.781 -1.731 25037 1384 1 5 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.355 0.275 25037 1385 1 5 . 1 1 61 61 TYR H H 61 7.852 7.852 7.696 0.156 25037 1386 1 5 . 1 1 62 62 HIS N N 62 117.180 117.180 113.147 4.033 25037 1387 1 5 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.661 -0.159 25037 1388 1 5 . 1 1 62 62 HIS CA C 62 55.698 55.698 56.770 -1.072 25037 1389 1 5 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.515 -0.280 25037 1390 1 5 . 1 1 62 62 HIS H H 62 7.600 7.600 8.196 -0.596 25037 1391 1 6 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.684 -0.128 25037 1392 1 6 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.659 0.540 25037 1393 1 6 . 1 1 0 0 PRO CB C 0 32.310 32.310 32.436 -0.126 25037 1394 1 6 . 1 1 1 1 MET N N 1 122.140 122.140 116.549 5.591 25037 1395 1 6 . 1 1 1 1 MET HA H 1 4.507 4.507 4.735 -0.228 25037 1396 1 6 . 1 1 1 1 MET CB C 1 34.854 34.854 34.783 0.071 25037 1397 1 6 . 1 1 1 1 MET H H 1 8.665 8.665 8.217 0.448 25037 1398 1 6 . 1 1 2 2 ASN N N 2 121.514 121.514 118.442 3.072 25037 1399 1 6 . 1 1 2 2 ASN HA H 2 4.807 4.807 5.112 -0.305 25037 1400 1 6 . 1 1 2 2 ASN CB C 2 39.205 39.205 41.441 -2.236 25037 1401 1 6 . 1 1 2 2 ASN H H 2 8.927 8.927 8.869 0.058 25037 1402 1 6 . 1 1 3 3 ILE N N 3 123.748 123.748 121.398 2.350 25037 1403 1 6 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.858 0.101 25037 1404 1 6 . 1 1 3 3 ILE CA C 3 65.293 65.293 65.838 -0.545 25037 1405 1 6 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.878 0.226 25037 1406 1 6 . 1 1 3 3 ILE H H 3 8.721 8.721 8.571 0.150 25037 1407 1 6 . 1 1 4 4 SER N N 4 115.783 115.783 115.221 0.562 25037 1408 1 6 . 1 1 4 4 SER HA H 4 4.147 4.147 4.060 0.087 25037 1409 1 6 . 1 1 4 4 SER CA C 4 61.528 61.528 61.576 -0.048 25037 1410 1 6 . 1 1 4 4 SER CB C 4 62.284 62.284 62.328 -0.044 25037 1411 1 6 . 1 1 4 4 SER H H 4 8.386 8.386 8.319 0.067 25037 1412 1 6 . 1 1 5 5 ASP N N 5 122.493 122.493 123.629 -1.136 25037 1413 1 6 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.359 0.264 25037 1414 1 6 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.397 0.445 25037 1415 1 6 . 1 1 5 5 ASP H H 5 7.855 7.855 7.731 0.124 25037 1416 1 6 . 1 1 6 6 ILE N N 6 123.982 123.982 119.637 4.345 25037 1417 1 6 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.725 0.072 25037 1418 1 6 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.584 -0.812 25037 1419 1 6 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.064 0.260 25037 1420 1 6 . 1 1 6 6 ILE H H 6 8.048 8.048 7.852 0.196 25037 1421 1 6 . 1 1 7 7 ARG N N 7 118.105 118.105 119.529 -1.424 25037 1422 1 6 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.215 -0.398 25037 1423 1 6 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.324 0.408 25037 1424 1 6 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.541 0.506 25037 1425 1 6 . 1 1 7 7 ARG H H 7 8.285 8.285 7.977 0.308 25037 1426 1 6 . 1 1 8 8 ALA N N 8 118.807 118.807 120.374 -1.567 25037 1427 1 6 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.250 -0.127 25037 1428 1 6 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.094 0.998 25037 1429 1 6 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.124 0.429 25037 1430 1 6 . 1 1 8 8 ALA H H 8 8.093 8.093 8.313 -0.220 25037 1431 1 6 . 1 1 9 9 GLY N N 9 107.079 107.079 106.535 0.544 25037 1432 1 6 . 1 1 9 9 GLY CA C 9 47.084 47.084 45.791 1.293 25037 1433 1 6 . 1 1 9 9 GLY H H 9 8.358 8.358 7.438 0.920 25037 1434 1 6 . 1 1 10 10 LEU N N 10 121.077 121.077 122.907 -1.830 25037 1435 1 6 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.960 0.170 25037 1436 1 6 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.524 0.455 25037 1437 1 6 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.383 1.269 25037 1438 1 6 . 1 1 10 10 LEU H H 10 8.116 8.116 7.765 0.351 25037 1439 1 6 . 1 1 11 11 ARG N N 11 118.227 118.227 118.493 -0.266 25037 1440 1 6 . 1 1 11 11 ARG HA H 11 3.803 3.803 3.946 -0.143 25037 1441 1 6 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.503 0.922 25037 1442 1 6 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.114 1.207 25037 1443 1 6 . 1 1 11 11 ARG H H 11 8.472 8.472 7.791 0.681 25037 1444 1 6 . 1 1 12 12 THR N N 12 114.121 114.121 116.931 -2.810 25037 1445 1 6 . 1 1 12 12 THR HA H 12 3.965 3.965 4.026 -0.061 25037 1446 1 6 . 1 1 12 12 THR CA C 12 66.730 66.730 65.618 1.112 25037 1447 1 6 . 1 1 12 12 THR CB C 12 69.178 69.178 68.607 0.571 25037 1448 1 6 . 1 1 12 12 THR H H 12 8.180 8.180 7.687 0.493 25037 1449 1 6 . 1 1 13 13 LEU N N 13 119.606 119.606 121.007 -1.401 25037 1450 1 6 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.116 -0.016 25037 1451 1 6 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.068 0.000 25037 1452 1 6 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.410 1.609 25037 1453 1 6 . 1 1 13 13 LEU H H 13 7.156 7.156 7.553 -0.397 25037 1454 1 6 . 1 1 14 14 VAL N N 14 117.777 117.777 113.576 4.201 25037 1455 1 6 . 1 1 14 14 VAL HA H 14 3.808 3.808 3.914 -0.106 25037 1456 1 6 . 1 1 14 14 VAL CA C 14 65.464 65.464 64.603 0.861 25037 1457 1 6 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.343 0.552 25037 1458 1 6 . 1 1 14 14 VAL H H 14 7.785 7.785 7.600 0.185 25037 1459 1 6 . 1 1 15 15 GLU N N 15 123.041 123.041 119.964 3.077 25037 1460 1 6 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.176 -0.107 25037 1461 1 6 . 1 1 15 15 GLU CA C 15 57.624 57.624 58.408 -0.784 25037 1462 1 6 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.313 -0.117 25037 1463 1 6 . 1 1 15 15 GLU H H 15 8.961 8.961 7.683 1.278 25037 1464 1 6 . 1 1 16 16 ASN N N 16 114.935 114.935 115.703 -0.768 25037 1465 1 6 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.780 0.047 25037 1466 1 6 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.087 -0.561 25037 1467 1 6 . 1 1 16 16 ASN H H 16 7.863 7.863 7.886 -0.023 25037 1468 1 6 . 1 1 17 17 GLU N N 17 113.841 113.841 115.270 -1.429 25037 1469 1 6 . 1 1 17 17 GLU HA H 17 4.070 4.070 4.028 0.042 25037 1470 1 6 . 1 1 17 17 GLU CA C 17 57.624 57.624 57.556 0.068 25037 1471 1 6 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.384 1.760 25037 1472 1 6 . 1 1 17 17 GLU H H 17 8.008 8.008 7.593 0.415 25037 1473 1 6 . 1 1 18 18 GLU N N 18 117.787 117.787 115.728 2.059 25037 1474 1 6 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.163 0.147 25037 1475 1 6 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.350 -0.097 25037 1476 1 6 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.376 0.001 25037 1477 1 6 . 1 1 18 18 GLU H H 18 8.517 8.517 8.094 0.423 25037 1478 1 6 . 1 1 19 19 THR N N 19 110.292 110.292 109.640 0.652 25037 1479 1 6 . 1 1 19 19 THR HA H 19 4.562 4.562 4.510 0.052 25037 1480 1 6 . 1 1 19 19 THR CB C 19 68.196 68.196 70.239 -2.043 25037 1481 1 6 . 1 1 19 19 THR H H 19 7.457 7.457 7.476 -0.019 25037 1482 1 6 . 1 1 20 20 THR N N 20 109.626 109.626 112.421 -2.795 25037 1483 1 6 . 1 1 20 20 THR HA H 20 4.633 4.633 4.623 0.010 25037 1484 1 6 . 1 1 20 20 THR H H 20 8.188 8.188 7.818 0.370 25037 1485 1 6 . 1 1 21 21 PHE N N 21 118.935 118.935 121.410 -2.475 25037 1486 1 6 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.041 0.197 25037 1487 1 6 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.234 -1.967 25037 1488 1 6 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.140 -0.344 25037 1489 1 6 . 1 1 21 21 PHE H H 21 8.714 8.714 8.691 0.023 25037 1490 1 6 . 1 1 22 22 LYS N N 22 116.962 116.962 118.528 -1.566 25037 1491 1 6 . 1 1 22 22 LYS HA H 22 3.881 3.881 4.070 -0.189 25037 1492 1 6 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.722 -0.133 25037 1493 1 6 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.935 0.578 25037 1494 1 6 . 1 1 22 22 LYS H H 22 8.234 8.234 8.388 -0.154 25037 1495 1 6 . 1 1 23 23 GLN N N 23 121.042 121.042 119.805 1.237 25037 1496 1 6 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.129 -0.154 25037 1497 1 6 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.448 0.526 25037 1498 1 6 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.235 -0.295 25037 1499 1 6 . 1 1 23 23 GLN H H 23 7.859 7.859 7.644 0.215 25037 1500 1 6 . 1 1 24 24 ILE N N 24 118.125 118.125 120.420 -2.295 25037 1501 1 6 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.097 -0.255 25037 1502 1 6 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.262 -0.168 25037 1503 1 6 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.235 0.543 25037 1504 1 6 . 1 1 24 24 ILE H H 24 7.871 7.871 8.516 -0.645 25037 1505 1 6 . 1 1 25 25 ALA N N 25 125.380 125.380 123.101 2.279 25037 1506 1 6 . 1 1 25 25 ALA HA H 25 3.855 3.855 4.003 -0.148 25037 1507 1 6 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.798 1.184 25037 1508 1 6 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.495 0.819 25037 1509 1 6 . 1 1 25 25 ALA H H 25 8.452 8.452 8.148 0.304 25037 1510 1 6 . 1 1 26 26 LEU N N 26 119.285 119.285 119.627 -0.342 25037 1511 1 6 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.960 0.081 25037 1512 1 6 . 1 1 26 26 LEU CA C 26 57.976 57.976 58.120 -0.144 25037 1513 1 6 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.843 0.494 25037 1514 1 6 . 1 1 26 26 LEU H H 26 7.936 7.936 8.073 -0.137 25037 1515 1 6 . 1 1 27 27 GLU N N 27 115.748 115.748 117.283 -1.535 25037 1516 1 6 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.179 0.030 25037 1517 1 6 . 1 1 27 27 GLU CA C 27 58.243 58.243 59.113 -0.870 25037 1518 1 6 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.103 0.733 25037 1519 1 6 . 1 1 27 27 GLU H H 27 8.050 8.050 8.431 -0.381 25037 1520 1 6 . 1 1 28 28 SER N N 28 113.421 113.421 111.789 1.632 25037 1521 1 6 . 1 1 28 28 SER HA H 28 4.597 4.597 4.279 0.318 25037 1522 1 6 . 1 1 28 28 SER CB C 28 65.743 65.743 64.325 1.418 25037 1523 1 6 . 1 1 28 28 SER H H 28 8.476 8.476 8.221 0.255 25037 1524 1 6 . 1 1 29 29 GLY N N 29 112.001 112.001 110.857 1.144 25037 1525 1 6 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.076 0.817 25037 1526 1 6 . 1 1 29 29 GLY H H 29 8.074 8.074 7.928 0.146 25037 1527 1 6 . 1 1 30 30 LEU N N 30 120.750 120.750 120.223 0.527 25037 1528 1 6 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.300 0.309 25037 1529 1 6 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.658 1.519 25037 1530 1 6 . 1 1 30 30 LEU H H 30 7.545 7.545 7.451 0.094 25037 1531 1 6 . 1 1 31 31 SER N N 31 113.993 113.993 113.492 0.501 25037 1532 1 6 . 1 1 31 31 SER HA H 31 4.568 4.568 4.651 -0.083 25037 1533 1 6 . 1 1 31 31 SER CB C 31 64.928 64.928 64.953 -0.025 25037 1534 1 6 . 1 1 31 31 SER H H 31 8.326 8.326 8.078 0.248 25037 1535 1 6 . 1 1 32 32 THR HA H 32 3.606 3.606 4.070 -0.464 25037 1536 1 6 . 1 1 32 32 THR CA C 32 66.547 66.547 66.491 0.056 25037 1537 1 6 . 1 1 32 32 THR CB C 32 67.740 67.740 68.528 -0.788 25037 1538 1 6 . 1 1 33 33 GLY CA C 33 46.761 46.761 46.803 -0.042 25037 1539 1 6 . 1 1 33 33 GLY H H 33 7.877 7.877 7.891 -0.014 25037 1540 1 6 . 1 1 34 34 THR N N 34 121.948 121.948 119.580 2.368 25037 1541 1 6 . 1 1 34 34 THR HA H 34 3.737 3.737 3.301 0.436 25037 1542 1 6 . 1 1 34 34 THR CA C 34 66.578 66.578 66.076 0.502 25037 1543 1 6 . 1 1 34 34 THR CB C 34 67.956 67.956 68.500 -0.544 25037 1544 1 6 . 1 1 34 34 THR H H 34 7.877 7.877 7.281 0.596 25037 1545 1 6 . 1 1 35 35 ILE N N 35 120.301 120.301 120.802 -0.501 25037 1546 1 6 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.491 -0.292 25037 1547 1 6 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.948 -0.434 25037 1548 1 6 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.628 0.241 25037 1549 1 6 . 1 1 35 35 ILE H H 35 7.750 7.750 7.631 0.119 25037 1550 1 6 . 1 1 36 36 SER N N 36 113.120 113.120 114.254 -1.134 25037 1551 1 6 . 1 1 36 36 SER HA H 36 3.535 3.535 4.040 -0.505 25037 1552 1 6 . 1 1 36 36 SER CA C 36 61.365 61.365 61.346 0.019 25037 1553 1 6 . 1 1 36 36 SER CB C 36 62.114 62.114 62.083 0.031 25037 1554 1 6 . 1 1 36 36 SER H H 36 8.322 8.322 7.521 0.801 25037 1555 1 6 . 1 1 37 37 SER N N 37 116.941 116.941 117.937 -0.996 25037 1556 1 6 . 1 1 37 37 SER HA H 37 4.196 4.196 4.211 -0.015 25037 1557 1 6 . 1 1 37 37 SER CA C 37 61.201 61.201 61.431 -0.230 25037 1558 1 6 . 1 1 37 37 SER CB C 37 63.821 63.821 63.000 0.821 25037 1559 1 6 . 1 1 37 37 SER H H 37 8.096 8.096 7.694 0.402 25037 1560 1 6 . 1 1 38 38 PHE N N 38 123.225 123.225 123.124 0.101 25037 1561 1 6 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.227 0.127 25037 1562 1 6 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.856 0.042 25037 1563 1 6 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.129 0.181 25037 1564 1 6 . 1 1 38 38 PHE H H 38 8.541 8.541 8.216 0.325 25037 1565 1 6 . 1 1 39 39 ILE N N 39 121.189 121.189 120.189 1.000 25037 1566 1 6 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.510 -0.080 25037 1567 1 6 . 1 1 39 39 ILE CA C 39 65.804 65.804 65.762 0.042 25037 1568 1 6 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.667 0.191 25037 1569 1 6 . 1 1 39 39 ILE H H 39 8.619 8.619 8.580 0.039 25037 1570 1 6 . 1 1 40 40 ASN N N 40 115.447 115.447 117.724 -2.277 25037 1571 1 6 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.535 0.113 25037 1572 1 6 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.693 0.550 25037 1573 1 6 . 1 1 40 40 ASN H H 40 7.547 7.547 8.156 -0.609 25037 1574 1 6 . 1 1 41 41 ASP N N 41 119.335 119.335 117.889 1.446 25037 1575 1 6 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.238 0.155 25037 1576 1 6 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.544 -1.013 25037 1577 1 6 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.456 0.125 25037 1578 1 6 . 1 1 41 41 ASP H H 41 7.933 7.933 7.812 0.121 25037 1579 1 6 . 1 1 42 42 LYS N N 42 117.025 117.025 116.027 0.998 25037 1580 1 6 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.483 0.037 25037 1581 1 6 . 1 1 42 42 LYS CB C 42 33.693 33.693 34.657 -0.964 25037 1582 1 6 . 1 1 42 42 LYS H H 42 8.418 8.418 8.408 0.010 25037 1583 1 6 . 1 1 43 43 TYR N N 43 122.804 122.804 121.834 0.970 25037 1584 1 6 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.349 0.314 25037 1585 1 6 . 1 1 43 43 TYR CB C 43 38.132 38.132 39.293 -1.161 25037 1586 1 6 . 1 1 43 43 TYR H H 43 8.437 8.437 7.719 0.718 25037 1587 1 6 . 1 1 44 44 ASN CB C 44 38.647 38.647 40.141 -1.494 25037 1588 1 6 . 1 1 45 45 GLY CA C 45 45.034 45.034 45.678 -0.644 25037 1589 1 6 . 1 1 46 46 ASP CB C 46 40.065 40.065 40.696 -0.631 25037 1590 1 6 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.691 -0.171 25037 1591 1 6 . 1 1 47 47 ASN CA C 47 54.705 54.705 55.547 -0.842 25037 1592 1 6 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.733 1.529 25037 1593 1 6 . 1 1 47 47 ASN H H 47 8.291 8.291 8.764 -0.473 25037 1594 1 6 . 1 1 48 48 GLU N N 48 121.849 121.849 120.062 1.787 25037 1595 1 6 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.138 -0.011 25037 1596 1 6 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.749 0.303 25037 1597 1 6 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.421 -0.266 25037 1598 1 6 . 1 1 48 48 GLU H H 48 8.695 8.695 8.852 -0.157 25037 1599 1 6 . 1 1 49 49 ARG N N 49 120.467 120.467 119.908 0.559 25037 1600 1 6 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.124 -0.019 25037 1601 1 6 . 1 1 49 49 ARG CA C 49 59.130 59.130 59.095 0.035 25037 1602 1 6 . 1 1 49 49 ARG CB C 49 30.078 30.078 29.912 0.166 25037 1603 1 6 . 1 1 49 49 ARG H H 49 7.958 7.958 7.589 0.369 25037 1604 1 6 . 1 1 50 50 VAL N N 50 119.496 119.496 119.123 0.373 25037 1605 1 6 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.546 -0.184 25037 1606 1 6 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.513 0.495 25037 1607 1 6 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.590 0.170 25037 1608 1 6 . 1 1 50 50 VAL H H 50 7.767 7.767 7.553 0.214 25037 1609 1 6 . 1 1 51 51 SER N N 51 114.856 114.856 115.808 -0.952 25037 1610 1 6 . 1 1 51 51 SER HA H 51 3.665 3.665 3.649 0.016 25037 1611 1 6 . 1 1 51 51 SER CA C 51 62.288 62.288 61.907 0.381 25037 1612 1 6 . 1 1 51 51 SER CB C 51 62.823 62.823 62.597 0.226 25037 1613 1 6 . 1 1 51 51 SER H H 51 8.296 8.296 8.351 -0.055 25037 1614 1 6 . 1 1 52 52 GLN N N 52 120.482 120.482 120.132 0.350 25037 1615 1 6 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.126 0.041 25037 1616 1 6 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.717 0.462 25037 1617 1 6 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.219 0.222 25037 1618 1 6 . 1 1 52 52 GLN H H 52 8.012 8.012 8.188 -0.176 25037 1619 1 6 . 1 1 53 53 THR N N 53 117.745 117.745 117.283 0.462 25037 1620 1 6 . 1 1 53 53 THR HA H 53 3.981 3.981 4.078 -0.097 25037 1621 1 6 . 1 1 53 53 THR CA C 53 67.070 67.070 66.765 0.305 25037 1622 1 6 . 1 1 53 53 THR CB C 53 68.860 68.860 68.385 0.475 25037 1623 1 6 . 1 1 53 53 THR H H 53 7.960 7.960 7.361 0.599 25037 1624 1 6 . 1 1 54 54 LEU N N 54 122.166 122.166 121.610 0.556 25037 1625 1 6 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.857 0.477 25037 1626 1 6 . 1 1 54 54 LEU CA C 54 57.483 57.483 57.933 -0.450 25037 1627 1 6 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.066 0.014 25037 1628 1 6 . 1 1 54 54 LEU H H 54 8.376 8.376 8.069 0.307 25037 1629 1 6 . 1 1 55 55 GLN N N 55 122.381 122.381 118.843 3.538 25037 1630 1 6 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.960 0.100 25037 1631 1 6 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.807 -0.380 25037 1632 1 6 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.351 -0.803 25037 1633 1 6 . 1 1 55 55 GLN H H 55 9.086 9.086 8.617 0.469 25037 1634 1 6 . 1 1 56 56 ARG N N 56 117.595 117.595 118.537 -0.942 25037 1635 1 6 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.321 -0.142 25037 1636 1 6 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.523 -2.075 25037 1637 1 6 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.142 0.049 25037 1638 1 6 . 1 1 56 56 ARG H H 56 7.690 7.690 7.710 -0.020 25037 1639 1 6 . 1 1 57 57 TRP N N 57 120.743 120.743 121.626 -0.883 25037 1640 1 6 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.456 -0.360 25037 1641 1 6 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.492 -2.636 25037 1642 1 6 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.431 -0.874 25037 1643 1 6 . 1 1 57 57 TRP H H 57 7.754 7.754 7.414 0.340 25037 1644 1 6 . 1 1 58 58 LEU N N 58 121.472 121.472 120.847 0.625 25037 1645 1 6 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.810 -0.130 25037 1646 1 6 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.462 -0.284 25037 1647 1 6 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.824 1.123 25037 1648 1 6 . 1 1 58 58 LEU H H 58 8.699 8.699 9.061 -0.362 25037 1649 1 6 . 1 1 59 59 GLU N N 59 117.216 117.216 118.227 -1.011 25037 1650 1 6 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.831 0.126 25037 1651 1 6 . 1 1 59 59 GLU CA C 59 58.835 58.835 60.077 -1.242 25037 1652 1 6 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.532 0.292 25037 1653 1 6 . 1 1 59 59 GLU H H 59 8.301 8.301 8.885 -0.584 25037 1654 1 6 . 1 1 60 60 LYS N N 60 118.414 118.414 117.166 1.248 25037 1655 1 6 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.090 -0.067 25037 1656 1 6 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.311 -0.427 25037 1657 1 6 . 1 1 60 60 LYS CB C 60 32.425 32.425 32.114 0.311 25037 1658 1 6 . 1 1 60 60 LYS H H 60 7.499 7.499 7.464 0.035 25037 1659 1 6 . 1 1 61 61 TYR N N 61 120.082 120.082 120.013 0.069 25037 1660 1 6 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.912 -0.163 25037 1661 1 6 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.730 -1.680 25037 1662 1 6 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.307 0.323 25037 1663 1 6 . 1 1 61 61 TYR H H 61 7.852 7.852 7.888 -0.036 25037 1664 1 6 . 1 1 62 62 HIS N N 62 117.180 117.180 115.032 2.148 25037 1665 1 6 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.431 0.071 25037 1666 1 6 . 1 1 62 62 HIS CA C 62 55.698 55.698 56.984 -1.286 25037 1667 1 6 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.621 -0.386 25037 1668 1 6 . 1 1 62 62 HIS H H 62 7.600 7.600 8.277 -0.677 25037 1669 1 7 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.560 -0.004 25037 1670 1 7 . 1 1 0 0 PRO CA C 0 63.199 63.199 63.043 0.156 25037 1671 1 7 . 1 1 0 0 PRO CB C 0 32.310 32.310 32.217 0.093 25037 1672 1 7 . 1 1 1 1 MET N N 1 122.140 122.140 120.746 1.394 25037 1673 1 7 . 1 1 1 1 MET HA H 1 4.507 4.507 4.745 -0.238 25037 1674 1 7 . 1 1 1 1 MET CB C 1 34.854 34.854 36.075 -1.221 25037 1675 1 7 . 1 1 1 1 MET H H 1 8.665 8.665 7.931 0.734 25037 1676 1 7 . 1 1 2 2 ASN N N 2 121.514 121.514 120.362 1.152 25037 1677 1 7 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.966 -0.159 25037 1678 1 7 . 1 1 2 2 ASN CB C 2 39.205 39.205 40.825 -1.619 25037 1679 1 7 . 1 1 2 2 ASN H H 2 8.927 8.927 8.679 0.248 25037 1680 1 7 . 1 1 3 3 ILE N N 3 123.748 123.748 122.207 1.541 25037 1681 1 7 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.817 0.142 25037 1682 1 7 . 1 1 3 3 ILE CA C 3 65.293 65.293 65.068 0.225 25037 1683 1 7 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.472 0.632 25037 1684 1 7 . 1 1 3 3 ILE H H 3 8.721 8.721 8.696 0.025 25037 1685 1 7 . 1 1 4 4 SER N N 4 115.783 115.783 113.883 1.900 25037 1686 1 7 . 1 1 4 4 SER HA H 4 4.147 4.147 4.113 0.034 25037 1687 1 7 . 1 1 4 4 SER CA C 4 61.528 61.528 61.150 0.378 25037 1688 1 7 . 1 1 4 4 SER CB C 4 62.284 62.284 62.243 0.041 25037 1689 1 7 . 1 1 4 4 SER H H 4 8.386 8.386 8.436 -0.050 25037 1690 1 7 . 1 1 5 5 ASP N N 5 122.493 122.493 121.770 0.723 25037 1691 1 7 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.635 -0.012 25037 1692 1 7 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.741 0.101 25037 1693 1 7 . 1 1 5 5 ASP H H 5 7.855 7.855 8.067 -0.212 25037 1694 1 7 . 1 1 6 6 ILE N N 6 123.982 123.982 120.040 3.942 25037 1695 1 7 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.837 -0.040 25037 1696 1 7 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.076 -0.304 25037 1697 1 7 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.216 0.108 25037 1698 1 7 . 1 1 6 6 ILE H H 6 8.048 8.048 7.469 0.579 25037 1699 1 7 . 1 1 7 7 ARG N N 7 118.105 118.105 119.189 -1.084 25037 1700 1 7 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.141 -0.324 25037 1701 1 7 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.281 0.451 25037 1702 1 7 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.313 0.734 25037 1703 1 7 . 1 1 7 7 ARG H H 7 8.285 8.285 7.869 0.416 25037 1704 1 7 . 1 1 8 8 ALA N N 8 118.807 118.807 120.035 -1.228 25037 1705 1 7 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.174 -0.051 25037 1706 1 7 . 1 1 8 8 ALA CA C 8 55.093 55.093 53.570 1.523 25037 1707 1 7 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.534 0.019 25037 1708 1 7 . 1 1 8 8 ALA H H 8 8.093 8.093 7.645 0.448 25037 1709 1 7 . 1 1 9 9 GLY N N 9 107.079 107.079 106.156 0.923 25037 1710 1 7 . 1 1 9 9 GLY CA C 9 47.084 47.084 45.721 1.363 25037 1711 1 7 . 1 1 9 9 GLY H H 9 8.358 8.358 7.579 0.779 25037 1712 1 7 . 1 1 10 10 LEU N N 10 121.077 121.077 122.943 -1.866 25037 1713 1 7 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.924 0.206 25037 1714 1 7 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.723 0.256 25037 1715 1 7 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.581 1.071 25037 1716 1 7 . 1 1 10 10 LEU H H 10 8.116 8.116 7.617 0.499 25037 1717 1 7 . 1 1 11 11 ARG N N 11 118.227 118.227 117.950 0.277 25037 1718 1 7 . 1 1 11 11 ARG HA H 11 3.803 3.803 4.036 -0.233 25037 1719 1 7 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.362 1.062 25037 1720 1 7 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.237 1.084 25037 1721 1 7 . 1 1 11 11 ARG H H 11 8.472 8.472 7.875 0.597 25037 1722 1 7 . 1 1 12 12 THR N N 12 114.121 114.121 117.542 -3.421 25037 1723 1 7 . 1 1 12 12 THR HA H 12 3.965 3.965 4.033 -0.068 25037 1724 1 7 . 1 1 12 12 THR CA C 12 66.730 66.730 65.747 0.983 25037 1725 1 7 . 1 1 12 12 THR CB C 12 69.178 69.178 68.634 0.544 25037 1726 1 7 . 1 1 12 12 THR H H 12 8.180 8.180 7.753 0.426 25037 1727 1 7 . 1 1 13 13 LEU N N 13 119.606 119.606 121.918 -2.312 25037 1728 1 7 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.078 0.022 25037 1729 1 7 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.234 -0.167 25037 1730 1 7 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.701 1.318 25037 1731 1 7 . 1 1 13 13 LEU H H 13 7.156 7.156 7.662 -0.506 25037 1732 1 7 . 1 1 14 14 VAL N N 14 117.777 117.777 114.652 3.125 25037 1733 1 7 . 1 1 14 14 VAL HA H 14 3.808 3.808 3.853 -0.044 25037 1734 1 7 . 1 1 14 14 VAL CA C 14 65.464 65.464 65.148 0.316 25037 1735 1 7 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.371 0.524 25037 1736 1 7 . 1 1 14 14 VAL H H 14 7.785 7.785 7.769 0.016 25037 1737 1 7 . 1 1 15 15 GLU N N 15 123.041 123.041 121.913 1.128 25037 1738 1 7 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.088 -0.019 25037 1739 1 7 . 1 1 15 15 GLU CA C 15 57.624 57.624 59.140 -1.516 25037 1740 1 7 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.309 -0.113 25037 1741 1 7 . 1 1 15 15 GLU H H 15 8.961 8.961 8.290 0.671 25037 1742 1 7 . 1 1 16 16 ASN N N 16 114.935 114.935 114.697 0.238 25037 1743 1 7 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.821 0.006 25037 1744 1 7 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.104 -0.578 25037 1745 1 7 . 1 1 16 16 ASN H H 16 7.863 7.863 7.684 0.179 25037 1746 1 7 . 1 1 17 17 GLU N N 17 113.841 113.841 115.209 -1.368 25037 1747 1 7 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.905 0.165 25037 1748 1 7 . 1 1 17 17 GLU CA C 17 57.624 57.624 57.929 -0.305 25037 1749 1 7 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.042 2.102 25037 1750 1 7 . 1 1 17 17 GLU H H 17 8.008 8.008 8.000 0.008 25037 1751 1 7 . 1 1 18 18 GLU N N 18 117.787 117.787 115.998 1.789 25037 1752 1 7 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.059 0.251 25037 1753 1 7 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.753 -0.500 25037 1754 1 7 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.223 0.154 25037 1755 1 7 . 1 1 18 18 GLU H H 18 8.517 8.517 8.370 0.147 25037 1756 1 7 . 1 1 19 19 THR N N 19 110.292 110.292 109.432 0.860 25037 1757 1 7 . 1 1 19 19 THR HA H 19 4.562 4.562 4.537 0.025 25037 1758 1 7 . 1 1 19 19 THR CB C 19 68.196 68.196 70.185 -1.989 25037 1759 1 7 . 1 1 19 19 THR H H 19 7.457 7.457 7.377 0.080 25037 1760 1 7 . 1 1 20 20 THR N N 20 109.626 109.626 116.552 -6.926 25037 1761 1 7 . 1 1 20 20 THR HA H 20 4.633 4.633 4.548 0.085 25037 1762 1 7 . 1 1 20 20 THR H H 20 8.188 8.188 8.291 -0.103 25037 1763 1 7 . 1 1 21 21 PHE N N 21 118.935 118.935 123.918 -4.983 25037 1764 1 7 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.057 0.181 25037 1765 1 7 . 1 1 21 21 PHE CA C 21 60.267 60.267 61.991 -1.724 25037 1766 1 7 . 1 1 21 21 PHE CB C 21 37.796 37.796 37.979 -0.183 25037 1767 1 7 . 1 1 21 21 PHE H H 21 8.714 8.714 8.346 0.368 25037 1768 1 7 . 1 1 22 22 LYS N N 22 116.962 116.962 118.511 -1.549 25037 1769 1 7 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.928 -0.047 25037 1770 1 7 . 1 1 22 22 LYS CA C 22 59.589 59.589 60.149 -0.560 25037 1771 1 7 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.762 0.751 25037 1772 1 7 . 1 1 22 22 LYS H H 22 8.234 8.234 8.377 -0.143 25037 1773 1 7 . 1 1 23 23 GLN N N 23 121.042 121.042 118.933 2.109 25037 1774 1 7 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.139 -0.164 25037 1775 1 7 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.700 0.274 25037 1776 1 7 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.045 -0.105 25037 1777 1 7 . 1 1 23 23 GLN H H 23 7.859 7.859 7.625 0.234 25037 1778 1 7 . 1 1 24 24 ILE N N 24 118.125 118.125 120.339 -2.214 25037 1779 1 7 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.143 -0.301 25037 1780 1 7 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.238 -0.144 25037 1781 1 7 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.121 0.657 25037 1782 1 7 . 1 1 24 24 ILE H H 24 7.871 7.871 8.281 -0.410 25037 1783 1 7 . 1 1 25 25 ALA N N 25 125.380 125.380 122.930 2.450 25037 1784 1 7 . 1 1 25 25 ALA HA H 25 3.855 3.855 4.018 -0.163 25037 1785 1 7 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.719 1.263 25037 1786 1 7 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.686 0.628 25037 1787 1 7 . 1 1 25 25 ALA H H 25 8.452 8.452 8.256 0.196 25037 1788 1 7 . 1 1 26 26 LEU N N 26 119.285 119.285 118.897 0.388 25037 1789 1 7 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.980 0.061 25037 1790 1 7 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.773 0.203 25037 1791 1 7 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.812 0.525 25037 1792 1 7 . 1 1 26 26 LEU H H 26 7.936 7.936 8.062 -0.126 25037 1793 1 7 . 1 1 27 27 GLU N N 27 115.748 115.748 117.272 -1.524 25037 1794 1 7 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.256 -0.047 25037 1795 1 7 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.727 -0.485 25037 1796 1 7 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.135 0.701 25037 1797 1 7 . 1 1 27 27 GLU H H 27 8.050 8.050 8.643 -0.593 25037 1798 1 7 . 1 1 28 28 SER N N 28 113.421 113.421 111.478 1.943 25037 1799 1 7 . 1 1 28 28 SER HA H 28 4.597 4.597 4.482 0.115 25037 1800 1 7 . 1 1 28 28 SER CB C 28 65.743 65.743 64.713 1.030 25037 1801 1 7 . 1 1 28 28 SER H H 28 8.476 8.476 7.945 0.531 25037 1802 1 7 . 1 1 29 29 GLY N N 29 112.001 112.001 110.894 1.107 25037 1803 1 7 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.645 0.248 25037 1804 1 7 . 1 1 29 29 GLY H H 29 8.074 8.074 8.008 0.066 25037 1805 1 7 . 1 1 30 30 LEU N N 30 120.750 120.750 119.723 1.027 25037 1806 1 7 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.316 0.293 25037 1807 1 7 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.818 1.359 25037 1808 1 7 . 1 1 30 30 LEU H H 30 7.545 7.545 7.205 0.340 25037 1809 1 7 . 1 1 31 31 SER N N 31 113.993 113.993 113.733 0.260 25037 1810 1 7 . 1 1 31 31 SER HA H 31 4.568 4.568 4.550 0.018 25037 1811 1 7 . 1 1 31 31 SER CB C 31 64.928 64.928 64.486 0.442 25037 1812 1 7 . 1 1 31 31 SER H H 31 8.326 8.326 8.248 0.078 25037 1813 1 7 . 1 1 32 32 THR HA H 32 3.606 3.606 4.038 -0.432 25037 1814 1 7 . 1 1 32 32 THR CA C 32 66.547 66.547 65.307 1.240 25037 1815 1 7 . 1 1 32 32 THR CB C 32 67.740 67.740 68.493 -0.754 25037 1816 1 7 . 1 1 33 33 GLY CA C 33 46.761 46.761 46.252 0.509 25037 1817 1 7 . 1 1 33 33 GLY H H 33 7.877 7.877 8.471 -0.594 25037 1818 1 7 . 1 1 34 34 THR N N 34 121.948 121.948 119.790 2.158 25037 1819 1 7 . 1 1 34 34 THR HA H 34 3.737 3.737 3.835 -0.098 25037 1820 1 7 . 1 1 34 34 THR CA C 34 66.578 66.578 66.433 0.145 25037 1821 1 7 . 1 1 34 34 THR CB C 34 67.956 67.956 68.575 -0.619 25037 1822 1 7 . 1 1 34 34 THR H H 34 7.877 7.877 7.302 0.575 25037 1823 1 7 . 1 1 35 35 ILE N N 35 120.301 120.301 121.343 -1.042 25037 1824 1 7 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.446 -0.247 25037 1825 1 7 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.562 -0.048 25037 1826 1 7 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.724 0.145 25037 1827 1 7 . 1 1 35 35 ILE H H 35 7.750 7.750 7.332 0.418 25037 1828 1 7 . 1 1 36 36 SER N N 36 113.120 113.120 114.108 -0.988 25037 1829 1 7 . 1 1 36 36 SER HA H 36 3.535 3.535 3.871 -0.336 25037 1830 1 7 . 1 1 36 36 SER CA C 36 61.365 61.365 61.619 -0.254 25037 1831 1 7 . 1 1 36 36 SER CB C 36 62.114 62.114 62.125 -0.011 25037 1832 1 7 . 1 1 36 36 SER H H 36 8.322 8.322 7.553 0.769 25037 1833 1 7 . 1 1 37 37 SER N N 37 116.941 116.941 118.000 -1.059 25037 1834 1 7 . 1 1 37 37 SER HA H 37 4.196 4.196 4.227 -0.031 25037 1835 1 7 . 1 1 37 37 SER CA C 37 61.201 61.201 61.063 0.138 25037 1836 1 7 . 1 1 37 37 SER CB C 37 63.821 63.821 63.152 0.669 25037 1837 1 7 . 1 1 37 37 SER H H 37 8.096 8.096 7.439 0.657 25037 1838 1 7 . 1 1 38 38 PHE N N 38 123.225 123.225 124.152 -0.927 25037 1839 1 7 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.296 0.058 25037 1840 1 7 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.550 0.348 25037 1841 1 7 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.032 0.278 25037 1842 1 7 . 1 1 38 38 PHE H H 38 8.541 8.541 8.564 -0.023 25037 1843 1 7 . 1 1 39 39 ILE N N 39 121.189 121.189 117.785 3.404 25037 1844 1 7 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.556 -0.126 25037 1845 1 7 . 1 1 39 39 ILE CA C 39 65.804 65.804 64.969 0.835 25037 1846 1 7 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.703 0.155 25037 1847 1 7 . 1 1 39 39 ILE H H 39 8.619 8.619 8.225 0.394 25037 1848 1 7 . 1 1 40 40 ASN N N 40 115.447 115.447 114.708 0.739 25037 1849 1 7 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.573 0.075 25037 1850 1 7 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.797 0.446 25037 1851 1 7 . 1 1 40 40 ASN H H 40 7.547 7.547 7.433 0.114 25037 1852 1 7 . 1 1 41 41 ASP N N 41 119.335 119.335 116.627 2.708 25037 1853 1 7 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.334 0.059 25037 1854 1 7 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.584 -1.054 25037 1855 1 7 . 1 1 41 41 ASP CB C 41 39.581 39.581 38.826 0.755 25037 1856 1 7 . 1 1 41 41 ASP H H 41 7.933 7.933 7.999 -0.066 25037 1857 1 7 . 1 1 42 42 LYS N N 42 117.025 117.025 115.667 1.358 25037 1858 1 7 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.522 -0.002 25037 1859 1 7 . 1 1 42 42 LYS CB C 42 33.693 33.693 33.665 0.028 25037 1860 1 7 . 1 1 42 42 LYS H H 42 8.418 8.418 8.204 0.214 25037 1861 1 7 . 1 1 43 43 TYR N N 43 122.804 122.804 123.500 -0.696 25037 1862 1 7 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.357 0.306 25037 1863 1 7 . 1 1 43 43 TYR CB C 43 38.132 38.132 37.128 1.004 25037 1864 1 7 . 1 1 43 43 TYR H H 43 8.437 8.437 7.885 0.552 25037 1865 1 7 . 1 1 44 44 ASN CB C 44 38.647 38.647 37.654 0.993 25037 1866 1 7 . 1 1 45 45 GLY CA C 45 45.034 45.034 44.817 0.217 25037 1867 1 7 . 1 1 46 46 ASP CB C 46 40.065 40.065 39.813 0.251 25037 1868 1 7 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.729 -0.209 25037 1869 1 7 . 1 1 47 47 ASN CA C 47 54.705 54.705 56.120 -1.415 25037 1870 1 7 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.987 1.275 25037 1871 1 7 . 1 1 47 47 ASN H H 47 8.291 8.291 8.342 -0.051 25037 1872 1 7 . 1 1 48 48 GLU N N 48 121.849 121.849 120.590 1.259 25037 1873 1 7 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.126 0.001 25037 1874 1 7 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.232 0.820 25037 1875 1 7 . 1 1 48 48 GLU CB C 48 29.155 29.155 28.950 0.205 25037 1876 1 7 . 1 1 48 48 GLU H H 48 8.695 8.695 8.324 0.371 25037 1877 1 7 . 1 1 49 49 ARG N N 49 120.467 120.467 119.888 0.579 25037 1878 1 7 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.129 -0.024 25037 1879 1 7 . 1 1 49 49 ARG CA C 49 59.130 59.130 59.221 -0.091 25037 1880 1 7 . 1 1 49 49 ARG CB C 49 30.078 30.078 30.282 -0.204 25037 1881 1 7 . 1 1 49 49 ARG H H 49 7.958 7.958 8.238 -0.280 25037 1882 1 7 . 1 1 50 50 VAL N N 50 119.496 119.496 119.012 0.484 25037 1883 1 7 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.372 -0.010 25037 1884 1 7 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.369 0.639 25037 1885 1 7 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.230 0.529 25037 1886 1 7 . 1 1 50 50 VAL H H 50 7.767 7.767 7.476 0.291 25037 1887 1 7 . 1 1 51 51 SER N N 51 114.856 114.856 115.654 -0.798 25037 1888 1 7 . 1 1 51 51 SER HA H 51 3.665 3.665 3.857 -0.192 25037 1889 1 7 . 1 1 51 51 SER CA C 51 62.288 62.288 61.706 0.582 25037 1890 1 7 . 1 1 51 51 SER CB C 51 62.823 62.823 62.825 -0.002 25037 1891 1 7 . 1 1 51 51 SER H H 51 8.296 8.296 8.597 -0.301 25037 1892 1 7 . 1 1 52 52 GLN N N 52 120.482 120.482 121.250 -0.768 25037 1893 1 7 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.095 0.072 25037 1894 1 7 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.688 0.491 25037 1895 1 7 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.354 0.087 25037 1896 1 7 . 1 1 52 52 GLN H H 52 8.012 8.012 7.764 0.248 25037 1897 1 7 . 1 1 53 53 THR N N 53 117.745 117.745 117.397 0.348 25037 1898 1 7 . 1 1 53 53 THR HA H 53 3.981 3.981 4.049 -0.068 25037 1899 1 7 . 1 1 53 53 THR CA C 53 67.070 67.070 66.701 0.369 25037 1900 1 7 . 1 1 53 53 THR CB C 53 68.860 68.860 68.637 0.223 25037 1901 1 7 . 1 1 53 53 THR H H 53 7.960 7.960 7.844 0.116 25037 1902 1 7 . 1 1 54 54 LEU N N 54 122.166 122.166 121.685 0.481 25037 1903 1 7 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.907 0.427 25037 1904 1 7 . 1 1 54 54 LEU CA C 54 57.483 57.483 58.169 -0.686 25037 1905 1 7 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.225 -0.145 25037 1906 1 7 . 1 1 54 54 LEU H H 54 8.376 8.376 8.168 0.208 25037 1907 1 7 . 1 1 55 55 GLN N N 55 122.381 122.381 119.100 3.281 25037 1908 1 7 . 1 1 55 55 GLN HA H 55 4.060 4.060 4.048 0.012 25037 1909 1 7 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.548 -0.121 25037 1910 1 7 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.453 -0.905 25037 1911 1 7 . 1 1 55 55 GLN H H 55 9.086 9.086 8.493 0.593 25037 1912 1 7 . 1 1 56 56 ARG N N 56 117.595 117.595 119.450 -1.855 25037 1913 1 7 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.046 0.133 25037 1914 1 7 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.616 -2.168 25037 1915 1 7 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.118 0.074 25037 1916 1 7 . 1 1 56 56 ARG H H 56 7.690 7.690 7.635 0.055 25037 1917 1 7 . 1 1 57 57 TRP N N 57 120.743 120.743 121.909 -1.166 25037 1918 1 7 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.342 -0.246 25037 1919 1 7 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.837 -2.981 25037 1920 1 7 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.286 -0.729 25037 1921 1 7 . 1 1 57 57 TRP H H 57 7.754 7.754 7.998 -0.244 25037 1922 1 7 . 1 1 58 58 LEU N N 58 121.472 121.472 119.552 1.920 25037 1923 1 7 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.749 -0.069 25037 1924 1 7 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.660 -0.482 25037 1925 1 7 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.893 1.054 25037 1926 1 7 . 1 1 58 58 LEU H H 58 8.699 8.699 9.027 -0.328 25037 1927 1 7 . 1 1 59 59 GLU N N 59 117.216 117.216 119.179 -1.963 25037 1928 1 7 . 1 1 59 59 GLU HA H 59 3.957 3.957 4.061 -0.104 25037 1929 1 7 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.466 -0.631 25037 1930 1 7 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.608 0.216 25037 1931 1 7 . 1 1 59 59 GLU H H 59 8.301 8.301 8.431 -0.130 25037 1932 1 7 . 1 1 60 60 LYS N N 60 118.414 118.414 117.648 0.766 25037 1933 1 7 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.163 -0.140 25037 1934 1 7 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.462 -0.578 25037 1935 1 7 . 1 1 60 60 LYS CB C 60 32.425 32.425 32.390 0.035 25037 1936 1 7 . 1 1 60 60 LYS H H 60 7.499 7.499 7.611 -0.112 25037 1937 1 7 . 1 1 61 61 TYR N N 61 120.082 120.082 121.991 -1.909 25037 1938 1 7 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.883 -0.134 25037 1939 1 7 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.891 -1.841 25037 1940 1 7 . 1 1 61 61 TYR CB C 61 38.630 38.630 37.833 0.797 25037 1941 1 7 . 1 1 61 61 TYR H H 61 7.852 7.852 8.259 -0.407 25037 1942 1 7 . 1 1 62 62 HIS N N 62 117.180 117.180 114.268 2.912 25037 1943 1 7 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.398 0.104 25037 1944 1 7 . 1 1 62 62 HIS CA C 62 55.698 55.698 57.748 -2.050 25037 1945 1 7 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.552 -0.317 25037 1946 1 7 . 1 1 62 62 HIS H H 62 7.600 7.600 8.312 -0.712 25037 1947 1 8 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.511 0.045 25037 1948 1 8 . 1 1 0 0 PRO CA C 0 63.199 63.199 63.110 0.089 25037 1949 1 8 . 1 1 0 0 PRO CB C 0 32.310 32.310 31.919 0.391 25037 1950 1 8 . 1 1 1 1 MET N N 1 122.140 122.140 117.165 4.975 25037 1951 1 8 . 1 1 1 1 MET HA H 1 4.507 4.507 4.308 0.199 25037 1952 1 8 . 1 1 1 1 MET CB C 1 34.854 34.854 33.117 1.737 25037 1953 1 8 . 1 1 1 1 MET H H 1 8.665 8.665 7.430 1.235 25037 1954 1 8 . 1 1 2 2 ASN N N 2 121.514 121.514 122.223 -0.709 25037 1955 1 8 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.675 0.132 25037 1956 1 8 . 1 1 2 2 ASN CB C 2 39.205 39.205 40.953 -1.748 25037 1957 1 8 . 1 1 2 2 ASN H H 2 8.927 8.927 8.300 0.627 25037 1958 1 8 . 1 1 3 3 ILE N N 3 123.748 123.748 121.230 2.518 25037 1959 1 8 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.901 0.058 25037 1960 1 8 . 1 1 3 3 ILE CA C 3 65.293 65.293 64.611 0.683 25037 1961 1 8 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.898 0.206 25037 1962 1 8 . 1 1 3 3 ILE H H 3 8.721 8.721 8.804 -0.083 25037 1963 1 8 . 1 1 4 4 SER N N 4 115.783 115.783 114.940 0.843 25037 1964 1 8 . 1 1 4 4 SER HA H 4 4.147 4.147 3.966 0.181 25037 1965 1 8 . 1 1 4 4 SER CA C 4 61.528 61.528 61.357 0.171 25037 1966 1 8 . 1 1 4 4 SER CB C 4 62.284 62.284 62.958 -0.674 25037 1967 1 8 . 1 1 4 4 SER H H 4 8.386 8.386 8.688 -0.302 25037 1968 1 8 . 1 1 5 5 ASP N N 5 122.493 122.493 121.938 0.555 25037 1969 1 8 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.462 0.161 25037 1970 1 8 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.779 0.063 25037 1971 1 8 . 1 1 5 5 ASP H H 5 7.855 7.855 7.863 -0.008 25037 1972 1 8 . 1 1 6 6 ILE N N 6 123.982 123.982 119.590 4.392 25037 1973 1 8 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.781 0.016 25037 1974 1 8 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.426 -0.654 25037 1975 1 8 . 1 1 6 6 ILE CB C 6 38.324 38.324 37.870 0.454 25037 1976 1 8 . 1 1 6 6 ILE H H 6 8.048 8.048 7.543 0.505 25037 1977 1 8 . 1 1 7 7 ARG N N 7 118.105 118.105 119.884 -1.779 25037 1978 1 8 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.147 -0.330 25037 1979 1 8 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.504 0.228 25037 1980 1 8 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.391 0.656 25037 1981 1 8 . 1 1 7 7 ARG H H 7 8.285 8.285 7.856 0.429 25037 1982 1 8 . 1 1 8 8 ALA N N 8 118.807 118.807 120.200 -1.393 25037 1983 1 8 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.219 -0.096 25037 1984 1 8 . 1 1 8 8 ALA CA C 8 55.093 55.093 53.967 1.126 25037 1985 1 8 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.165 0.388 25037 1986 1 8 . 1 1 8 8 ALA H H 8 8.093 8.093 7.905 0.188 25037 1987 1 8 . 1 1 9 9 GLY N N 9 107.079 107.079 105.833 1.246 25037 1988 1 8 . 1 1 9 9 GLY CA C 9 47.084 47.084 45.542 1.542 25037 1989 1 8 . 1 1 9 9 GLY H H 9 8.358 8.358 7.480 0.878 25037 1990 1 8 . 1 1 10 10 LEU N N 10 121.077 121.077 123.321 -2.244 25037 1991 1 8 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.917 0.213 25037 1992 1 8 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.808 0.171 25037 1993 1 8 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.694 0.958 25037 1994 1 8 . 1 1 10 10 LEU H H 10 8.116 8.116 8.165 -0.049 25037 1995 1 8 . 1 1 11 11 ARG N N 11 118.227 118.227 118.548 -0.321 25037 1996 1 8 . 1 1 11 11 ARG HA H 11 3.803 3.803 3.960 -0.157 25037 1997 1 8 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.583 0.842 25037 1998 1 8 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.161 1.160 25037 1999 1 8 . 1 1 11 11 ARG H H 11 8.472 8.472 8.395 0.077 25037 2000 1 8 . 1 1 12 12 THR N N 12 114.121 114.121 117.655 -3.534 25037 2001 1 8 . 1 1 12 12 THR HA H 12 3.965 3.965 4.053 -0.088 25037 2002 1 8 . 1 1 12 12 THR CA C 12 66.730 66.730 66.770 -0.040 25037 2003 1 8 . 1 1 12 12 THR CB C 12 69.178 69.178 68.283 0.895 25037 2004 1 8 . 1 1 12 12 THR H H 12 8.180 8.180 7.859 0.321 25037 2005 1 8 . 1 1 13 13 LEU N N 13 119.606 119.606 121.166 -1.560 25037 2006 1 8 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.448 -0.348 25037 2007 1 8 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.024 0.044 25037 2008 1 8 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.128 1.891 25037 2009 1 8 . 1 1 13 13 LEU H H 13 7.156 7.156 7.659 -0.503 25037 2010 1 8 . 1 1 14 14 VAL N N 14 117.777 117.777 115.929 1.848 25037 2011 1 8 . 1 1 14 14 VAL HA H 14 3.808 3.808 4.170 -0.362 25037 2012 1 8 . 1 1 14 14 VAL CA C 14 65.464 65.464 64.929 0.535 25037 2013 1 8 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.307 0.588 25037 2014 1 8 . 1 1 14 14 VAL H H 14 7.785 7.785 8.071 -0.286 25037 2015 1 8 . 1 1 15 15 GLU N N 15 123.041 123.041 121.737 1.304 25037 2016 1 8 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.078 -0.009 25037 2017 1 8 . 1 1 15 15 GLU CA C 15 57.624 57.624 59.109 -1.485 25037 2018 1 8 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.293 -0.097 25037 2019 1 8 . 1 1 15 15 GLU H H 15 8.961 8.961 8.696 0.265 25037 2020 1 8 . 1 1 16 16 ASN N N 16 114.935 114.935 115.267 -0.332 25037 2021 1 8 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.849 -0.022 25037 2022 1 8 . 1 1 16 16 ASN CB C 16 38.526 38.526 38.779 -0.252 25037 2023 1 8 . 1 1 16 16 ASN H H 16 7.863 7.863 7.760 0.103 25037 2024 1 8 . 1 1 17 17 GLU N N 17 113.841 113.841 116.092 -2.251 25037 2025 1 8 . 1 1 17 17 GLU HA H 17 4.070 4.070 4.021 0.049 25037 2026 1 8 . 1 1 17 17 GLU CA C 17 57.624 57.624 57.706 -0.082 25037 2027 1 8 . 1 1 17 17 GLU CB C 17 29.144 29.144 26.764 2.380 25037 2028 1 8 . 1 1 17 17 GLU H H 17 8.008 8.008 7.807 0.201 25037 2029 1 8 . 1 1 18 18 GLU N N 18 117.787 117.787 117.358 0.429 25037 2030 1 8 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.251 0.059 25037 2031 1 8 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.127 0.126 25037 2032 1 8 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.456 -0.079 25037 2033 1 8 . 1 1 18 18 GLU H H 18 8.517 8.517 8.444 0.073 25037 2034 1 8 . 1 1 19 19 THR N N 19 110.292 110.292 113.273 -2.981 25037 2035 1 8 . 1 1 19 19 THR HA H 19 4.562 4.562 4.677 -0.115 25037 2036 1 8 . 1 1 19 19 THR CB C 19 68.196 68.196 71.128 -2.932 25037 2037 1 8 . 1 1 19 19 THR H H 19 7.457 7.457 7.499 -0.042 25037 2038 1 8 . 1 1 20 20 THR N N 20 109.626 109.626 117.573 -7.947 25037 2039 1 8 . 1 1 20 20 THR HA H 20 4.633 4.633 4.469 0.164 25037 2040 1 8 . 1 1 20 20 THR H H 20 8.188 8.188 8.171 0.017 25037 2041 1 8 . 1 1 21 21 PHE N N 21 118.935 118.935 120.786 -1.851 25037 2042 1 8 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.044 0.194 25037 2043 1 8 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.929 -2.662 25037 2044 1 8 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.944 -1.148 25037 2045 1 8 . 1 1 21 21 PHE H H 21 8.714 8.714 8.857 -0.143 25037 2046 1 8 . 1 1 22 22 LYS N N 22 116.962 116.962 119.230 -2.268 25037 2047 1 8 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.954 -0.073 25037 2048 1 8 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.975 -0.386 25037 2049 1 8 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.965 0.548 25037 2050 1 8 . 1 1 22 22 LYS H H 22 8.234 8.234 8.272 -0.038 25037 2051 1 8 . 1 1 23 23 GLN N N 23 121.042 121.042 119.139 1.903 25037 2052 1 8 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.111 -0.136 25037 2053 1 8 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.575 0.398 25037 2054 1 8 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.344 -0.404 25037 2055 1 8 . 1 1 23 23 GLN H H 23 7.859 7.859 7.710 0.149 25037 2056 1 8 . 1 1 24 24 ILE N N 24 118.125 118.125 119.963 -1.838 25037 2057 1 8 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.434 -0.592 25037 2058 1 8 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.011 0.083 25037 2059 1 8 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.344 0.434 25037 2060 1 8 . 1 1 24 24 ILE H H 24 7.871 7.871 8.501 -0.630 25037 2061 1 8 . 1 1 25 25 ALA N N 25 125.380 125.380 123.324 2.056 25037 2062 1 8 . 1 1 25 25 ALA HA H 25 3.855 3.855 4.023 -0.168 25037 2063 1 8 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.724 1.258 25037 2064 1 8 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.620 0.694 25037 2065 1 8 . 1 1 25 25 ALA H H 25 8.452 8.452 7.950 0.502 25037 2066 1 8 . 1 1 26 26 LEU N N 26 119.285 119.285 118.889 0.396 25037 2067 1 8 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.960 0.081 25037 2068 1 8 . 1 1 26 26 LEU CA C 26 57.976 57.976 58.053 -0.077 25037 2069 1 8 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.872 0.465 25037 2070 1 8 . 1 1 26 26 LEU H H 26 7.936 7.936 8.180 -0.244 25037 2071 1 8 . 1 1 27 27 GLU N N 27 115.748 115.748 117.834 -2.086 25037 2072 1 8 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.216 -0.007 25037 2073 1 8 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.736 -0.493 25037 2074 1 8 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.249 0.587 25037 2075 1 8 . 1 1 27 27 GLU H H 27 8.050 8.050 8.208 -0.158 25037 2076 1 8 . 1 1 28 28 SER N N 28 113.421 113.421 112.879 0.542 25037 2077 1 8 . 1 1 28 28 SER HA H 28 4.597 4.597 4.337 0.260 25037 2078 1 8 . 1 1 28 28 SER CB C 28 65.743 65.743 64.431 1.312 25037 2079 1 8 . 1 1 28 28 SER H H 28 8.476 8.476 8.118 0.358 25037 2080 1 8 . 1 1 29 29 GLY N N 29 112.001 112.001 110.585 1.416 25037 2081 1 8 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.518 0.375 25037 2082 1 8 . 1 1 29 29 GLY H H 29 8.074 8.074 8.069 0.005 25037 2083 1 8 . 1 1 30 30 LEU N N 30 120.750 120.750 119.541 1.209 25037 2084 1 8 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.322 0.287 25037 2085 1 8 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.925 1.252 25037 2086 1 8 . 1 1 30 30 LEU H H 30 7.545 7.545 7.227 0.318 25037 2087 1 8 . 1 1 31 31 SER N N 31 113.993 113.993 112.148 1.845 25037 2088 1 8 . 1 1 31 31 SER HA H 31 4.568 4.568 4.777 -0.209 25037 2089 1 8 . 1 1 31 31 SER CB C 31 64.928 64.928 64.859 0.069 25037 2090 1 8 . 1 1 31 31 SER H H 31 8.326 8.326 8.142 0.184 25037 2091 1 8 . 1 1 32 32 THR HA H 32 3.606 3.606 4.154 -0.548 25037 2092 1 8 . 1 1 32 32 THR CA C 32 66.547 66.547 65.728 0.819 25037 2093 1 8 . 1 1 32 32 THR CB C 32 67.740 67.740 68.640 -0.900 25037 2094 1 8 . 1 1 33 33 GLY CA C 33 46.761 46.761 47.544 -0.783 25037 2095 1 8 . 1 1 33 33 GLY H H 33 7.877 7.877 7.836 0.041 25037 2096 1 8 . 1 1 34 34 THR N N 34 121.948 121.948 120.128 1.820 25037 2097 1 8 . 1 1 34 34 THR HA H 34 3.737 3.737 4.091 -0.354 25037 2098 1 8 . 1 1 34 34 THR CA C 34 66.578 66.578 66.883 -0.305 25037 2099 1 8 . 1 1 34 34 THR CB C 34 67.956 67.956 68.472 -0.516 25037 2100 1 8 . 1 1 34 34 THR H H 34 7.877 7.877 8.042 -0.165 25037 2101 1 8 . 1 1 35 35 ILE N N 35 120.301 120.301 120.578 -0.277 25037 2102 1 8 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.519 -0.320 25037 2103 1 8 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.714 -0.200 25037 2104 1 8 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.721 0.148 25037 2105 1 8 . 1 1 35 35 ILE H H 35 7.750 7.750 7.636 0.114 25037 2106 1 8 . 1 1 36 36 SER N N 36 113.120 113.120 114.389 -1.269 25037 2107 1 8 . 1 1 36 36 SER HA H 36 3.535 3.535 4.116 -0.581 25037 2108 1 8 . 1 1 36 36 SER CA C 36 61.365 61.365 61.612 -0.247 25037 2109 1 8 . 1 1 36 36 SER CB C 36 62.114 62.114 61.776 0.338 25037 2110 1 8 . 1 1 36 36 SER H H 36 8.322 8.322 7.808 0.514 25037 2111 1 8 . 1 1 37 37 SER N N 37 116.941 116.941 118.478 -1.537 25037 2112 1 8 . 1 1 37 37 SER HA H 37 4.196 4.196 4.258 -0.062 25037 2113 1 8 . 1 1 37 37 SER CA C 37 61.201 61.201 61.301 -0.100 25037 2114 1 8 . 1 1 37 37 SER CB C 37 63.821 63.821 63.222 0.599 25037 2115 1 8 . 1 1 37 37 SER H H 37 8.096 8.096 8.225 -0.129 25037 2116 1 8 . 1 1 38 38 PHE N N 38 123.225 123.225 122.748 0.477 25037 2117 1 8 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.233 0.121 25037 2118 1 8 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.481 0.418 25037 2119 1 8 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.190 0.120 25037 2120 1 8 . 1 1 38 38 PHE H H 38 8.541 8.541 8.583 -0.042 25037 2121 1 8 . 1 1 39 39 ILE N N 39 121.189 121.189 118.375 2.814 25037 2122 1 8 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.536 -0.106 25037 2123 1 8 . 1 1 39 39 ILE CA C 39 65.804 65.804 64.527 1.277 25037 2124 1 8 . 1 1 39 39 ILE CB C 39 37.858 37.858 38.283 -0.425 25037 2125 1 8 . 1 1 39 39 ILE H H 39 8.619 8.619 7.896 0.723 25037 2126 1 8 . 1 1 40 40 ASN N N 40 115.447 115.447 114.958 0.489 25037 2127 1 8 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.513 0.135 25037 2128 1 8 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.838 0.405 25037 2129 1 8 . 1 1 40 40 ASN H H 40 7.547 7.547 7.952 -0.405 25037 2130 1 8 . 1 1 41 41 ASP N N 41 119.335 119.335 115.976 3.359 25037 2131 1 8 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.272 0.121 25037 2132 1 8 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.900 -1.369 25037 2133 1 8 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.425 0.156 25037 2134 1 8 . 1 1 41 41 ASP H H 41 7.933 7.933 7.764 0.169 25037 2135 1 8 . 1 1 42 42 LYS N N 42 117.025 117.025 116.841 0.184 25037 2136 1 8 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.364 0.156 25037 2137 1 8 . 1 1 42 42 LYS CB C 42 33.693 33.693 32.900 0.793 25037 2138 1 8 . 1 1 42 42 LYS H H 42 8.418 8.418 8.044 0.374 25037 2139 1 8 . 1 1 43 43 TYR N N 43 122.804 122.804 122.187 0.617 25037 2140 1 8 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.308 0.355 25037 2141 1 8 . 1 1 43 43 TYR CB C 43 38.132 38.132 39.336 -1.204 25037 2142 1 8 . 1 1 43 43 TYR H H 43 8.437 8.437 7.799 0.638 25037 2143 1 8 . 1 1 44 44 ASN CB C 44 38.647 38.647 40.678 -2.031 25037 2144 1 8 . 1 1 45 45 GLY CA C 45 45.034 45.034 45.241 -0.207 25037 2145 1 8 . 1 1 46 46 ASP CB C 46 40.065 40.065 40.481 -0.416 25037 2146 1 8 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.557 -0.037 25037 2147 1 8 . 1 1 47 47 ASN CA C 47 54.705 54.705 57.161 -2.456 25037 2148 1 8 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.523 1.739 25037 2149 1 8 . 1 1 47 47 ASN H H 47 8.291 8.291 8.671 -0.380 25037 2150 1 8 . 1 1 48 48 GLU N N 48 121.849 121.849 120.384 1.465 25037 2151 1 8 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.136 -0.009 25037 2152 1 8 . 1 1 48 48 GLU CA C 48 60.052 60.052 58.984 1.067 25037 2153 1 8 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.530 -0.375 25037 2154 1 8 . 1 1 48 48 GLU H H 48 8.695 8.695 8.673 0.022 25037 2155 1 8 . 1 1 49 49 ARG N N 49 120.467 120.467 119.792 0.675 25037 2156 1 8 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.161 -0.056 25037 2157 1 8 . 1 1 49 49 ARG CA C 49 59.130 59.130 59.155 -0.025 25037 2158 1 8 . 1 1 49 49 ARG CB C 49 30.078 30.078 30.388 -0.310 25037 2159 1 8 . 1 1 49 49 ARG H H 49 7.958 7.958 7.909 0.049 25037 2160 1 8 . 1 1 50 50 VAL N N 50 119.496 119.496 119.486 0.010 25037 2161 1 8 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.344 0.018 25037 2162 1 8 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.506 0.502 25037 2163 1 8 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.391 0.368 25037 2164 1 8 . 1 1 50 50 VAL H H 50 7.767 7.767 7.851 -0.084 25037 2165 1 8 . 1 1 51 51 SER N N 51 114.856 114.856 115.248 -0.392 25037 2166 1 8 . 1 1 51 51 SER HA H 51 3.665 3.665 3.686 -0.021 25037 2167 1 8 . 1 1 51 51 SER CA C 51 62.288 62.288 61.905 0.383 25037 2168 1 8 . 1 1 51 51 SER CB C 51 62.823 62.823 62.757 0.066 25037 2169 1 8 . 1 1 51 51 SER H H 51 8.296 8.296 8.491 -0.195 25037 2170 1 8 . 1 1 52 52 GLN N N 52 120.482 120.482 121.244 -0.762 25037 2171 1 8 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.019 0.148 25037 2172 1 8 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.738 0.441 25037 2173 1 8 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.186 0.255 25037 2174 1 8 . 1 1 52 52 GLN H H 52 8.012 8.012 7.843 0.169 25037 2175 1 8 . 1 1 53 53 THR N N 53 117.745 117.745 117.450 0.295 25037 2176 1 8 . 1 1 53 53 THR HA H 53 3.981 3.981 4.022 -0.041 25037 2177 1 8 . 1 1 53 53 THR CA C 53 67.070 67.070 66.803 0.267 25037 2178 1 8 . 1 1 53 53 THR CB C 53 68.860 68.860 68.325 0.535 25037 2179 1 8 . 1 1 53 53 THR H H 53 7.960 7.960 7.930 0.030 25037 2180 1 8 . 1 1 54 54 LEU N N 54 122.166 122.166 121.798 0.368 25037 2181 1 8 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.764 0.570 25037 2182 1 8 . 1 1 54 54 LEU CA C 54 57.483 57.483 58.207 -0.724 25037 2183 1 8 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.128 -0.048 25037 2184 1 8 . 1 1 54 54 LEU H H 54 8.376 8.376 7.947 0.429 25037 2185 1 8 . 1 1 55 55 GLN N N 55 122.381 122.381 118.746 3.635 25037 2186 1 8 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.973 0.087 25037 2187 1 8 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.523 -0.096 25037 2188 1 8 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.351 -0.803 25037 2189 1 8 . 1 1 55 55 GLN H H 55 9.086 9.086 8.603 0.483 25037 2190 1 8 . 1 1 56 56 ARG N N 56 117.595 117.595 119.210 -1.615 25037 2191 1 8 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.044 0.135 25037 2192 1 8 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.313 -1.865 25037 2193 1 8 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.118 0.074 25037 2194 1 8 . 1 1 56 56 ARG H H 56 7.690 7.690 7.841 -0.151 25037 2195 1 8 . 1 1 57 57 TRP N N 57 120.743 120.743 121.733 -0.990 25037 2196 1 8 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.336 -0.240 25037 2197 1 8 . 1 1 57 57 TRP CA C 57 58.856 58.856 60.875 -2.019 25037 2198 1 8 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.313 -0.756 25037 2199 1 8 . 1 1 57 57 TRP H H 57 7.754 7.754 7.625 0.129 25037 2200 1 8 . 1 1 58 58 LEU N N 58 121.472 121.472 120.083 1.389 25037 2201 1 8 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.593 0.087 25037 2202 1 8 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.312 -0.134 25037 2203 1 8 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.950 0.996 25037 2204 1 8 . 1 1 58 58 LEU H H 58 8.699 8.699 9.042 -0.343 25037 2205 1 8 . 1 1 59 59 GLU N N 59 117.216 117.216 118.524 -1.308 25037 2206 1 8 . 1 1 59 59 GLU HA H 59 3.957 3.957 4.128 -0.171 25037 2207 1 8 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.388 -0.553 25037 2208 1 8 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.445 0.379 25037 2209 1 8 . 1 1 59 59 GLU H H 59 8.301 8.301 8.386 -0.085 25037 2210 1 8 . 1 1 60 60 LYS N N 60 118.414 118.414 119.130 -0.716 25037 2211 1 8 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.160 -0.137 25037 2212 1 8 . 1 1 60 60 LYS CA C 60 57.884 57.884 57.422 0.462 25037 2213 1 8 . 1 1 60 60 LYS CB C 60 32.425 32.425 32.092 0.333 25037 2214 1 8 . 1 1 60 60 LYS H H 60 7.499 7.499 7.692 -0.193 25037 2215 1 8 . 1 1 61 61 TYR N N 61 120.082 120.082 122.013 -1.931 25037 2216 1 8 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.885 -0.136 25037 2217 1 8 . 1 1 61 61 TYR CA C 61 59.050 59.050 61.281 -2.231 25037 2218 1 8 . 1 1 61 61 TYR CB C 61 38.630 38.630 37.958 0.673 25037 2219 1 8 . 1 1 61 61 TYR H H 61 7.852 7.852 7.824 0.028 25037 2220 1 8 . 1 1 62 62 HIS N N 62 117.180 117.180 113.778 3.402 25037 2221 1 8 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.570 -0.068 25037 2222 1 8 . 1 1 62 62 HIS CA C 62 55.698 55.698 56.596 -0.898 25037 2223 1 8 . 1 1 62 62 HIS CB C 62 30.235 30.235 29.798 0.437 25037 2224 1 8 . 1 1 62 62 HIS H H 62 7.600 7.600 7.875 -0.275 25037 2225 1 9 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.636 -0.080 25037 2226 1 9 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.721 0.478 25037 2227 1 9 . 1 1 0 0 PRO CB C 0 32.310 32.310 32.633 -0.323 25037 2228 1 9 . 1 1 1 1 MET N N 1 122.140 122.140 118.747 3.393 25037 2229 1 9 . 1 1 1 1 MET HA H 1 4.507 4.507 4.596 -0.089 25037 2230 1 9 . 1 1 1 1 MET CB C 1 34.854 34.854 37.080 -2.226 25037 2231 1 9 . 1 1 1 1 MET H H 1 8.665 8.665 8.630 0.035 25037 2232 1 9 . 1 1 2 2 ASN N N 2 121.514 121.514 120.686 0.828 25037 2233 1 9 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.916 -0.109 25037 2234 1 9 . 1 1 2 2 ASN CB C 2 39.205 39.205 39.769 -0.564 25037 2235 1 9 . 1 1 2 2 ASN H H 2 8.927 8.927 8.667 0.260 25037 2236 1 9 . 1 1 3 3 ILE N N 3 123.748 123.748 122.381 1.367 25037 2237 1 9 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.935 0.024 25037 2238 1 9 . 1 1 3 3 ILE CA C 3 65.293 65.293 65.050 0.243 25037 2239 1 9 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.066 1.038 25037 2240 1 9 . 1 1 3 3 ILE H H 3 8.721 8.721 8.665 0.056 25037 2241 1 9 . 1 1 4 4 SER N N 4 115.783 115.783 115.455 0.328 25037 2242 1 9 . 1 1 4 4 SER HA H 4 4.147 4.147 4.044 0.103 25037 2243 1 9 . 1 1 4 4 SER CA C 4 61.528 61.528 62.245 -0.717 25037 2244 1 9 . 1 1 4 4 SER CB C 4 62.284 62.284 62.385 -0.101 25037 2245 1 9 . 1 1 4 4 SER H H 4 8.386 8.386 8.660 -0.274 25037 2246 1 9 . 1 1 5 5 ASP N N 5 122.493 122.493 121.182 1.311 25037 2247 1 9 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.457 0.166 25037 2248 1 9 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.519 0.323 25037 2249 1 9 . 1 1 5 5 ASP H H 5 7.855 7.855 8.348 -0.493 25037 2250 1 9 . 1 1 6 6 ILE N N 6 123.982 123.982 119.933 4.049 25037 2251 1 9 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.738 0.059 25037 2252 1 9 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.704 -0.932 25037 2253 1 9 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.142 0.182 25037 2254 1 9 . 1 1 6 6 ILE H H 6 8.048 8.048 8.422 -0.374 25037 2255 1 9 . 1 1 7 7 ARG N N 7 118.105 118.105 119.117 -1.012 25037 2256 1 9 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.233 -0.416 25037 2257 1 9 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.227 0.505 25037 2258 1 9 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.598 0.450 25037 2259 1 9 . 1 1 7 7 ARG H H 7 8.285 8.285 8.359 -0.074 25037 2260 1 9 . 1 1 8 8 ALA N N 8 118.807 118.807 122.354 -3.547 25037 2261 1 9 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.053 0.070 25037 2262 1 9 . 1 1 8 8 ALA CA C 8 55.093 55.093 55.111 -0.018 25037 2263 1 9 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.249 0.304 25037 2264 1 9 . 1 1 8 8 ALA H H 8 8.093 8.093 8.444 -0.351 25037 2265 1 9 . 1 1 9 9 GLY N N 9 107.079 107.079 106.689 0.390 25037 2266 1 9 . 1 1 9 9 GLY CA C 9 47.084 47.084 46.925 0.159 25037 2267 1 9 . 1 1 9 9 GLY H H 9 8.358 8.358 7.863 0.495 25037 2268 1 9 . 1 1 10 10 LEU N N 10 121.077 121.077 122.866 -1.789 25037 2269 1 9 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.886 0.244 25037 2270 1 9 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.732 0.247 25037 2271 1 9 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.551 1.101 25037 2272 1 9 . 1 1 10 10 LEU H H 10 8.116 8.116 7.435 0.681 25037 2273 1 9 . 1 1 11 11 ARG N N 11 118.227 118.227 117.952 0.275 25037 2274 1 9 . 1 1 11 11 ARG HA H 11 3.803 3.803 3.969 -0.166 25037 2275 1 9 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.377 1.048 25037 2276 1 9 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.458 0.863 25037 2277 1 9 . 1 1 11 11 ARG H H 11 8.472 8.472 8.348 0.124 25037 2278 1 9 . 1 1 12 12 THR N N 12 114.121 114.121 117.332 -3.211 25037 2279 1 9 . 1 1 12 12 THR HA H 12 3.965 3.965 4.031 -0.066 25037 2280 1 9 . 1 1 12 12 THR CA C 12 66.730 66.730 66.568 0.162 25037 2281 1 9 . 1 1 12 12 THR CB C 12 69.178 69.178 68.784 0.394 25037 2282 1 9 . 1 1 12 12 THR H H 12 8.180 8.180 7.663 0.517 25037 2283 1 9 . 1 1 13 13 LEU N N 13 119.606 119.606 121.139 -1.533 25037 2284 1 9 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.033 0.067 25037 2285 1 9 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.208 -0.140 25037 2286 1 9 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.929 1.090 25037 2287 1 9 . 1 1 13 13 LEU H H 13 7.156 7.156 8.298 -1.142 25037 2288 1 9 . 1 1 14 14 VAL N N 14 117.777 117.777 114.095 3.682 25037 2289 1 9 . 1 1 14 14 VAL HA H 14 3.808 3.808 4.049 -0.241 25037 2290 1 9 . 1 1 14 14 VAL CA C 14 65.464 65.464 65.102 0.362 25037 2291 1 9 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.510 0.385 25037 2292 1 9 . 1 1 14 14 VAL H H 14 7.785 7.785 8.007 -0.222 25037 2293 1 9 . 1 1 15 15 GLU N N 15 123.041 123.041 121.406 1.635 25037 2294 1 9 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.143 -0.074 25037 2295 1 9 . 1 1 15 15 GLU CA C 15 57.624 57.624 58.895 -1.271 25037 2296 1 9 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.322 -0.126 25037 2297 1 9 . 1 1 15 15 GLU H H 15 8.961 8.961 8.344 0.617 25037 2298 1 9 . 1 1 16 16 ASN N N 16 114.935 114.935 115.197 -0.262 25037 2299 1 9 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.891 -0.064 25037 2300 1 9 . 1 1 16 16 ASN CB C 16 38.526 38.526 38.938 -0.412 25037 2301 1 9 . 1 1 16 16 ASN H H 16 7.863 7.863 7.668 0.195 25037 2302 1 9 . 1 1 17 17 GLU N N 17 113.841 113.841 115.291 -1.450 25037 2303 1 9 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.915 0.155 25037 2304 1 9 . 1 1 17 17 GLU CA C 17 57.624 57.624 58.096 -0.472 25037 2305 1 9 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.361 1.783 25037 2306 1 9 . 1 1 17 17 GLU H H 17 8.008 8.008 7.957 0.051 25037 2307 1 9 . 1 1 18 18 GLU N N 18 117.787 117.787 116.510 1.277 25037 2308 1 9 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.167 0.143 25037 2309 1 9 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.331 -0.078 25037 2310 1 9 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.287 0.090 25037 2311 1 9 . 1 1 18 18 GLU H H 18 8.517 8.517 8.274 0.243 25037 2312 1 9 . 1 1 19 19 THR N N 19 110.292 110.292 112.013 -1.721 25037 2313 1 9 . 1 1 19 19 THR HA H 19 4.562 4.562 4.709 -0.147 25037 2314 1 9 . 1 1 19 19 THR CB C 19 68.196 68.196 70.061 -1.865 25037 2315 1 9 . 1 1 19 19 THR H H 19 7.457 7.457 7.358 0.099 25037 2316 1 9 . 1 1 20 20 THR N N 20 109.626 109.626 115.761 -6.135 25037 2317 1 9 . 1 1 20 20 THR HA H 20 4.633 4.633 4.628 0.005 25037 2318 1 9 . 1 1 20 20 THR H H 20 8.188 8.188 8.503 -0.315 25037 2319 1 9 . 1 1 21 21 PHE N N 21 118.935 118.935 123.878 -4.943 25037 2320 1 9 . 1 1 21 21 PHE HA H 21 4.238 4.238 3.982 0.256 25037 2321 1 9 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.884 -2.617 25037 2322 1 9 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.785 -0.989 25037 2323 1 9 . 1 1 21 21 PHE H H 21 8.714 8.714 8.660 0.054 25037 2324 1 9 . 1 1 22 22 LYS N N 22 116.962 116.962 118.217 -1.255 25037 2325 1 9 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.912 -0.031 25037 2326 1 9 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.998 -0.409 25037 2327 1 9 . 1 1 22 22 LYS CB C 22 32.513 32.513 32.002 0.511 25037 2328 1 9 . 1 1 22 22 LYS H H 22 8.234 8.234 8.695 -0.461 25037 2329 1 9 . 1 1 23 23 GLN N N 23 121.042 121.042 119.525 1.517 25037 2330 1 9 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.166 -0.191 25037 2331 1 9 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.583 0.391 25037 2332 1 9 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.322 -0.382 25037 2333 1 9 . 1 1 23 23 GLN H H 23 7.859 7.859 7.660 0.199 25037 2334 1 9 . 1 1 24 24 ILE N N 24 118.125 118.125 120.452 -2.327 25037 2335 1 9 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.037 -0.195 25037 2336 1 9 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.191 -0.097 25037 2337 1 9 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.084 0.694 25037 2338 1 9 . 1 1 24 24 ILE H H 24 7.871 7.871 8.321 -0.450 25037 2339 1 9 . 1 1 25 25 ALA N N 25 125.380 125.380 123.063 2.317 25037 2340 1 9 . 1 1 25 25 ALA HA H 25 3.855 3.855 4.023 -0.168 25037 2341 1 9 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.988 0.994 25037 2342 1 9 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.418 0.896 25037 2343 1 9 . 1 1 25 25 ALA H H 25 8.452 8.452 8.320 0.132 25037 2344 1 9 . 1 1 26 26 LEU N N 26 119.285 119.285 119.198 0.087 25037 2345 1 9 . 1 1 26 26 LEU HA H 26 4.041 4.041 4.027 0.014 25037 2346 1 9 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.946 0.030 25037 2347 1 9 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.899 0.438 25037 2348 1 9 . 1 1 26 26 LEU H H 26 7.936 7.936 8.166 -0.230 25037 2349 1 9 . 1 1 27 27 GLU N N 27 115.748 115.748 118.232 -2.484 25037 2350 1 9 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.262 -0.053 25037 2351 1 9 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.626 -0.383 25037 2352 1 9 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.034 0.802 25037 2353 1 9 . 1 1 27 27 GLU H H 27 8.050 8.050 8.375 -0.325 25037 2354 1 9 . 1 1 28 28 SER N N 28 113.421 113.421 113.756 -0.335 25037 2355 1 9 . 1 1 28 28 SER HA H 28 4.597 4.597 4.317 0.280 25037 2356 1 9 . 1 1 28 28 SER CB C 28 65.743 65.743 64.872 0.871 25037 2357 1 9 . 1 1 28 28 SER H H 28 8.476 8.476 8.219 0.257 25037 2358 1 9 . 1 1 29 29 GLY N N 29 112.001 112.001 110.799 1.202 25037 2359 1 9 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.191 0.702 25037 2360 1 9 . 1 1 29 29 GLY H H 29 8.074 8.074 8.302 -0.228 25037 2361 1 9 . 1 1 30 30 LEU N N 30 120.750 120.750 120.257 0.493 25037 2362 1 9 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.432 0.177 25037 2363 1 9 . 1 1 30 30 LEU CB C 30 44.177 44.177 43.011 1.166 25037 2364 1 9 . 1 1 30 30 LEU H H 30 7.545 7.545 7.433 0.112 25037 2365 1 9 . 1 1 31 31 SER N N 31 113.993 113.993 115.038 -1.045 25037 2366 1 9 . 1 1 31 31 SER HA H 31 4.568 4.568 4.548 0.020 25037 2367 1 9 . 1 1 31 31 SER CB C 31 64.928 64.928 64.072 0.856 25037 2368 1 9 . 1 1 31 31 SER H H 31 8.326 8.326 8.289 0.037 25037 2369 1 9 . 1 1 32 32 THR HA H 32 3.606 3.606 4.039 -0.433 25037 2370 1 9 . 1 1 32 32 THR CA C 32 66.547 66.547 64.832 1.714 25037 2371 1 9 . 1 1 32 32 THR CB C 32 67.740 67.740 68.657 -0.917 25037 2372 1 9 . 1 1 33 33 GLY CA C 33 46.761 46.761 47.322 -0.561 25037 2373 1 9 . 1 1 33 33 GLY H H 33 7.877 7.877 8.376 -0.499 25037 2374 1 9 . 1 1 34 34 THR N N 34 121.948 121.948 119.699 2.249 25037 2375 1 9 . 1 1 34 34 THR HA H 34 3.737 3.737 3.844 -0.107 25037 2376 1 9 . 1 1 34 34 THR CA C 34 66.578 66.578 67.024 -0.446 25037 2377 1 9 . 1 1 34 34 THR CB C 34 67.956 67.956 68.314 -0.358 25037 2378 1 9 . 1 1 34 34 THR H H 34 7.877 7.877 7.900 -0.023 25037 2379 1 9 . 1 1 35 35 ILE N N 35 120.301 120.301 120.684 -0.383 25037 2380 1 9 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.466 -0.267 25037 2381 1 9 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.631 -0.117 25037 2382 1 9 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.667 0.202 25037 2383 1 9 . 1 1 35 35 ILE H H 35 7.750 7.750 7.492 0.258 25037 2384 1 9 . 1 1 36 36 SER N N 36 113.120 113.120 115.097 -1.977 25037 2385 1 9 . 1 1 36 36 SER HA H 36 3.535 3.535 4.224 -0.689 25037 2386 1 9 . 1 1 36 36 SER CA C 36 61.365 61.365 61.506 -0.141 25037 2387 1 9 . 1 1 36 36 SER CB C 36 62.114 62.114 61.951 0.163 25037 2388 1 9 . 1 1 36 36 SER H H 36 8.322 8.322 7.730 0.592 25037 2389 1 9 . 1 1 37 37 SER N N 37 116.941 116.941 118.976 -2.035 25037 2390 1 9 . 1 1 37 37 SER HA H 37 4.196 4.196 4.267 -0.071 25037 2391 1 9 . 1 1 37 37 SER CA C 37 61.201 61.201 62.130 -0.929 25037 2392 1 9 . 1 1 37 37 SER CB C 37 63.821 63.821 63.188 0.633 25037 2393 1 9 . 1 1 37 37 SER H H 37 8.096 8.096 8.182 -0.086 25037 2394 1 9 . 1 1 38 38 PHE N N 38 123.225 123.225 123.483 -0.258 25037 2395 1 9 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.300 0.054 25037 2396 1 9 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.513 0.386 25037 2397 1 9 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.086 0.224 25037 2398 1 9 . 1 1 38 38 PHE H H 38 8.541 8.541 8.493 0.048 25037 2399 1 9 . 1 1 39 39 ILE N N 39 121.189 121.189 118.530 2.659 25037 2400 1 9 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.718 -0.288 25037 2401 1 9 . 1 1 39 39 ILE CA C 39 65.804 65.804 64.704 1.100 25037 2402 1 9 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.814 0.044 25037 2403 1 9 . 1 1 39 39 ILE H H 39 8.619 8.619 7.958 0.661 25037 2404 1 9 . 1 1 40 40 ASN N N 40 115.447 115.447 116.382 -0.935 25037 2405 1 9 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.741 -0.093 25037 2406 1 9 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.578 0.665 25037 2407 1 9 . 1 1 40 40 ASN H H 40 7.547 7.547 8.069 -0.522 25037 2408 1 9 . 1 1 41 41 ASP N N 41 119.335 119.335 115.716 3.619 25037 2409 1 9 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.162 0.231 25037 2410 1 9 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.668 -1.137 25037 2411 1 9 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.824 -0.243 25037 2412 1 9 . 1 1 41 41 ASP H H 41 7.933 7.933 7.664 0.269 25037 2413 1 9 . 1 1 42 42 LYS N N 42 117.025 117.025 115.858 1.167 25037 2414 1 9 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.502 0.018 25037 2415 1 9 . 1 1 42 42 LYS CB C 42 33.693 33.693 33.469 0.224 25037 2416 1 9 . 1 1 42 42 LYS H H 42 8.418 8.418 8.080 0.338 25037 2417 1 9 . 1 1 43 43 TYR N N 43 122.804 122.804 121.694 1.110 25037 2418 1 9 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.333 0.330 25037 2419 1 9 . 1 1 43 43 TYR CB C 43 38.132 38.132 39.160 -1.028 25037 2420 1 9 . 1 1 43 43 TYR H H 43 8.437 8.437 7.669 0.768 25037 2421 1 9 . 1 1 44 44 ASN CB C 44 38.647 38.647 38.681 -0.035 25037 2422 1 9 . 1 1 45 45 GLY CA C 45 45.034 45.034 44.690 0.344 25037 2423 1 9 . 1 1 46 46 ASP CB C 46 40.065 40.065 40.038 0.027 25037 2424 1 9 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.677 -0.157 25037 2425 1 9 . 1 1 47 47 ASN CA C 47 54.705 54.705 56.110 -1.405 25037 2426 1 9 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.660 1.602 25037 2427 1 9 . 1 1 47 47 ASN H H 47 8.291 8.291 8.766 -0.475 25037 2428 1 9 . 1 1 48 48 GLU N N 48 121.849 121.849 119.822 2.027 25037 2429 1 9 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.177 -0.050 25037 2430 1 9 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.448 0.604 25037 2431 1 9 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.281 -0.126 25037 2432 1 9 . 1 1 48 48 GLU H H 48 8.695 8.695 8.777 -0.082 25037 2433 1 9 . 1 1 49 49 ARG N N 49 120.467 120.467 119.918 0.549 25037 2434 1 9 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.138 -0.033 25037 2435 1 9 . 1 1 49 49 ARG CA C 49 59.130 59.130 58.353 0.777 25037 2436 1 9 . 1 1 49 49 ARG CB C 49 30.078 30.078 29.810 0.268 25037 2437 1 9 . 1 1 49 49 ARG H H 49 7.958 7.958 7.837 0.121 25037 2438 1 9 . 1 1 50 50 VAL N N 50 119.496 119.496 119.158 0.338 25037 2439 1 9 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.406 -0.044 25037 2440 1 9 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.677 0.331 25037 2441 1 9 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.384 0.374 25037 2442 1 9 . 1 1 50 50 VAL H H 50 7.767 7.767 7.485 0.282 25037 2443 1 9 . 1 1 51 51 SER N N 51 114.856 114.856 115.706 -0.850 25037 2444 1 9 . 1 1 51 51 SER HA H 51 3.665 3.665 3.689 -0.024 25037 2445 1 9 . 1 1 51 51 SER CA C 51 62.288 62.288 61.631 0.657 25037 2446 1 9 . 1 1 51 51 SER CB C 51 62.823 62.823 62.752 0.071 25037 2447 1 9 . 1 1 51 51 SER H H 51 8.296 8.296 8.499 -0.203 25037 2448 1 9 . 1 1 52 52 GLN N N 52 120.482 120.482 119.762 0.720 25037 2449 1 9 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.131 0.036 25037 2450 1 9 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.395 0.784 25037 2451 1 9 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.203 0.238 25037 2452 1 9 . 1 1 52 52 GLN H H 52 8.012 8.012 7.905 0.107 25037 2453 1 9 . 1 1 53 53 THR N N 53 117.745 117.745 117.114 0.631 25037 2454 1 9 . 1 1 53 53 THR HA H 53 3.981 3.981 4.122 -0.141 25037 2455 1 9 . 1 1 53 53 THR CA C 53 67.070 67.070 66.134 0.936 25037 2456 1 9 . 1 1 53 53 THR CB C 53 68.860 68.860 68.674 0.186 25037 2457 1 9 . 1 1 53 53 THR H H 53 7.960 7.960 7.489 0.471 25037 2458 1 9 . 1 1 54 54 LEU N N 54 122.166 122.166 121.973 0.193 25037 2459 1 9 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.933 0.401 25037 2460 1 9 . 1 1 54 54 LEU CA C 54 57.483 57.483 57.876 -0.393 25037 2461 1 9 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.239 -0.159 25037 2462 1 9 . 1 1 54 54 LEU H H 54 8.376 8.376 8.268 0.108 25037 2463 1 9 . 1 1 55 55 GLN N N 55 122.381 122.381 119.030 3.351 25037 2464 1 9 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.977 0.083 25037 2465 1 9 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.758 -0.331 25037 2466 1 9 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.268 -0.720 25037 2467 1 9 . 1 1 55 55 GLN H H 55 9.086 9.086 8.627 0.459 25037 2468 1 9 . 1 1 56 56 ARG N N 56 117.595 117.595 119.132 -1.537 25037 2469 1 9 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.054 0.125 25037 2470 1 9 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.554 -2.106 25037 2471 1 9 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.122 0.070 25037 2472 1 9 . 1 1 56 56 ARG H H 56 7.690 7.690 7.576 0.114 25037 2473 1 9 . 1 1 57 57 TRP N N 57 120.743 120.743 121.567 -0.824 25037 2474 1 9 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.351 -0.255 25037 2475 1 9 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.192 -2.336 25037 2476 1 9 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.309 -0.752 25037 2477 1 9 . 1 1 57 57 TRP H H 57 7.754 7.754 7.662 0.092 25037 2478 1 9 . 1 1 58 58 LEU N N 58 121.472 121.472 119.850 1.622 25037 2479 1 9 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.557 0.123 25037 2480 1 9 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.071 0.107 25037 2481 1 9 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.958 0.989 25037 2482 1 9 . 1 1 58 58 LEU H H 58 8.699 8.699 8.686 0.013 25037 2483 1 9 . 1 1 59 59 GLU N N 59 117.216 117.216 119.195 -1.979 25037 2484 1 9 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.964 -0.007 25037 2485 1 9 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.483 -0.648 25037 2486 1 9 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.635 0.189 25037 2487 1 9 . 1 1 59 59 GLU H H 59 8.301 8.301 8.405 -0.104 25037 2488 1 9 . 1 1 60 60 LYS N N 60 118.414 118.414 118.112 0.302 25037 2489 1 9 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.162 -0.139 25037 2490 1 9 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.059 -0.175 25037 2491 1 9 . 1 1 60 60 LYS CB C 60 32.425 32.425 31.908 0.517 25037 2492 1 9 . 1 1 60 60 LYS H H 60 7.499 7.499 7.721 -0.222 25037 2493 1 9 . 1 1 61 61 TYR N N 61 120.082 120.082 121.802 -1.720 25037 2494 1 9 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.954 -0.205 25037 2495 1 9 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.758 -1.708 25037 2496 1 9 . 1 1 61 61 TYR CB C 61 38.630 38.630 37.944 0.686 25037 2497 1 9 . 1 1 61 61 TYR H H 61 7.852 7.852 7.749 0.103 25037 2498 1 9 . 1 1 62 62 HIS N N 62 117.180 117.180 114.422 2.758 25037 2499 1 9 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.464 0.038 25037 2500 1 9 . 1 1 62 62 HIS CA C 62 55.698 55.698 56.586 -0.888 25037 2501 1 9 . 1 1 62 62 HIS CB C 62 30.235 30.235 29.863 0.372 25037 2502 1 9 . 1 1 62 62 HIS H H 62 7.600 7.600 8.097 -0.497 25037 2503 1 10 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.631 -0.075 25037 2504 1 10 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.676 0.523 25037 2505 1 10 . 1 1 0 0 PRO CB C 0 32.310 32.310 31.916 0.394 25037 2506 1 10 . 1 1 1 1 MET N N 1 122.140 122.140 123.360 -1.220 25037 2507 1 10 . 1 1 1 1 MET HA H 1 4.507 4.507 4.427 0.080 25037 2508 1 10 . 1 1 1 1 MET CB C 1 34.854 34.854 33.072 1.782 25037 2509 1 10 . 1 1 1 1 MET H H 1 8.665 8.665 8.422 0.243 25037 2510 1 10 . 1 1 2 2 ASN N N 2 121.514 121.514 121.569 -0.055 25037 2511 1 10 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.831 -0.024 25037 2512 1 10 . 1 1 2 2 ASN CB C 2 39.205 39.205 40.404 -1.199 25037 2513 1 10 . 1 1 2 2 ASN H H 2 8.927 8.927 8.566 0.361 25037 2514 1 10 . 1 1 3 3 ILE N N 3 123.748 123.748 122.204 1.544 25037 2515 1 10 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.841 0.118 25037 2516 1 10 . 1 1 3 3 ILE CA C 3 65.293 65.293 64.789 0.504 25037 2517 1 10 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.764 0.341 25037 2518 1 10 . 1 1 3 3 ILE H H 3 8.721 8.721 8.642 0.079 25037 2519 1 10 . 1 1 4 4 SER N N 4 115.783 115.783 115.165 0.618 25037 2520 1 10 . 1 1 4 4 SER HA H 4 4.147 4.147 4.098 0.049 25037 2521 1 10 . 1 1 4 4 SER CA C 4 61.528 61.528 62.017 -0.489 25037 2522 1 10 . 1 1 4 4 SER CB C 4 62.284 62.284 62.456 -0.172 25037 2523 1 10 . 1 1 4 4 SER H H 4 8.386 8.386 8.496 -0.110 25037 2524 1 10 . 1 1 5 5 ASP N N 5 122.493 122.493 122.821 -0.328 25037 2525 1 10 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.501 0.122 25037 2526 1 10 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.748 0.094 25037 2527 1 10 . 1 1 5 5 ASP H H 5 7.855 7.855 7.811 0.044 25037 2528 1 10 . 1 1 6 6 ILE N N 6 123.982 123.982 120.020 3.962 25037 2529 1 10 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.747 0.050 25037 2530 1 10 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.617 -0.845 25037 2531 1 10 . 1 1 6 6 ILE CB C 6 38.324 38.324 37.947 0.377 25037 2532 1 10 . 1 1 6 6 ILE H H 6 8.048 8.048 7.726 0.322 25037 2533 1 10 . 1 1 7 7 ARG N N 7 118.105 118.105 118.711 -0.606 25037 2534 1 10 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.241 -0.424 25037 2535 1 10 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.097 0.635 25037 2536 1 10 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.489 0.558 25037 2537 1 10 . 1 1 7 7 ARG H H 7 8.285 8.285 7.967 0.318 25037 2538 1 10 . 1 1 8 8 ALA N N 8 118.807 118.807 122.451 -3.644 25037 2539 1 10 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.130 -0.007 25037 2540 1 10 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.957 0.136 25037 2541 1 10 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.052 0.501 25037 2542 1 10 . 1 1 8 8 ALA H H 8 8.093 8.093 7.705 0.388 25037 2543 1 10 . 1 1 9 9 GLY N N 9 107.079 107.079 106.523 0.556 25037 2544 1 10 . 1 1 9 9 GLY CA C 9 47.084 47.084 47.018 0.066 25037 2545 1 10 . 1 1 9 9 GLY H H 9 8.358 8.358 8.324 0.034 25037 2546 1 10 . 1 1 10 10 LEU N N 10 121.077 121.077 120.962 0.115 25037 2547 1 10 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.031 0.099 25037 2548 1 10 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.478 0.500 25037 2549 1 10 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.469 1.183 25037 2550 1 10 . 1 1 10 10 LEU H H 10 8.116 8.116 7.614 0.502 25037 2551 1 10 . 1 1 11 11 ARG N N 11 118.227 118.227 118.955 -0.728 25037 2552 1 10 . 1 1 11 11 ARG HA H 11 3.803 3.803 4.042 -0.239 25037 2553 1 10 . 1 1 11 11 ARG CA C 11 60.425 60.425 58.842 1.583 25037 2554 1 10 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.155 1.166 25037 2555 1 10 . 1 1 11 11 ARG H H 11 8.472 8.472 7.751 0.721 25037 2556 1 10 . 1 1 12 12 THR N N 12 114.121 114.121 117.573 -3.452 25037 2557 1 10 . 1 1 12 12 THR HA H 12 3.965 3.965 3.971 -0.006 25037 2558 1 10 . 1 1 12 12 THR CA C 12 66.730 66.730 66.478 0.253 25037 2559 1 10 . 1 1 12 12 THR CB C 12 69.178 69.178 68.646 0.532 25037 2560 1 10 . 1 1 12 12 THR H H 12 8.180 8.180 7.673 0.507 25037 2561 1 10 . 1 1 13 13 LEU N N 13 119.606 119.606 121.094 -1.488 25037 2562 1 10 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.103 -0.003 25037 2563 1 10 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.201 -0.133 25037 2564 1 10 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.181 1.838 25037 2565 1 10 . 1 1 13 13 LEU H H 13 7.156 7.156 8.067 -0.911 25037 2566 1 10 . 1 1 14 14 VAL N N 14 117.777 117.777 114.420 3.357 25037 2567 1 10 . 1 1 14 14 VAL HA H 14 3.808 3.808 4.075 -0.267 25037 2568 1 10 . 1 1 14 14 VAL CA C 14 65.464 65.464 64.955 0.509 25037 2569 1 10 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.643 0.252 25037 2570 1 10 . 1 1 14 14 VAL H H 14 7.785 7.785 7.901 -0.116 25037 2571 1 10 . 1 1 15 15 GLU N N 15 123.041 123.041 121.902 1.139 25037 2572 1 10 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.106 -0.037 25037 2573 1 10 . 1 1 15 15 GLU CA C 15 57.624 57.624 59.230 -1.606 25037 2574 1 10 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.437 -0.241 25037 2575 1 10 . 1 1 15 15 GLU H H 15 8.961 8.961 8.797 0.164 25037 2576 1 10 . 1 1 16 16 ASN N N 16 114.935 114.935 115.059 -0.124 25037 2577 1 10 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.888 -0.061 25037 2578 1 10 . 1 1 16 16 ASN CB C 16 38.526 38.526 38.949 -0.423 25037 2579 1 10 . 1 1 16 16 ASN H H 16 7.863 7.863 7.850 0.013 25037 2580 1 10 . 1 1 17 17 GLU N N 17 113.841 113.841 116.618 -2.777 25037 2581 1 10 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.981 0.089 25037 2582 1 10 . 1 1 17 17 GLU CA C 17 57.624 57.624 57.940 -0.316 25037 2583 1 10 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.802 1.342 25037 2584 1 10 . 1 1 17 17 GLU H H 17 8.008 8.008 7.966 0.042 25037 2585 1 10 . 1 1 18 18 GLU N N 18 117.787 117.787 116.309 1.478 25037 2586 1 10 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.150 0.160 25037 2587 1 10 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.845 -0.592 25037 2588 1 10 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.202 0.175 25037 2589 1 10 . 1 1 18 18 GLU H H 18 8.517 8.517 8.280 0.237 25037 2590 1 10 . 1 1 19 19 THR N N 19 110.292 110.292 111.788 -1.496 25037 2591 1 10 . 1 1 19 19 THR HA H 19 4.562 4.562 4.629 -0.067 25037 2592 1 10 . 1 1 19 19 THR CB C 19 68.196 68.196 70.301 -2.105 25037 2593 1 10 . 1 1 19 19 THR H H 19 7.457 7.457 7.402 0.055 25037 2594 1 10 . 1 1 20 20 THR N N 20 109.626 109.626 116.769 -7.143 25037 2595 1 10 . 1 1 20 20 THR HA H 20 4.633 4.633 4.763 -0.130 25037 2596 1 10 . 1 1 20 20 THR H H 20 8.188 8.188 8.278 -0.090 25037 2597 1 10 . 1 1 21 21 PHE N N 21 118.935 118.935 123.811 -4.876 25037 2598 1 10 . 1 1 21 21 PHE HA H 21 4.238 4.238 3.960 0.278 25037 2599 1 10 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.192 -1.925 25037 2600 1 10 . 1 1 21 21 PHE CB C 21 37.796 37.796 37.962 -0.166 25037 2601 1 10 . 1 1 21 21 PHE H H 21 8.714 8.714 8.659 0.055 25037 2602 1 10 . 1 1 22 22 LYS N N 22 116.962 116.962 117.753 -0.791 25037 2603 1 10 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.970 -0.089 25037 2604 1 10 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.249 0.340 25037 2605 1 10 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.352 1.161 25037 2606 1 10 . 1 1 22 22 LYS H H 22 8.234 8.234 8.438 -0.204 25037 2607 1 10 . 1 1 23 23 GLN N N 23 121.042 121.042 119.838 1.204 25037 2608 1 10 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.173 -0.198 25037 2609 1 10 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.371 0.603 25037 2610 1 10 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.089 -0.149 25037 2611 1 10 . 1 1 23 23 GLN H H 23 7.859 7.859 7.718 0.141 25037 2612 1 10 . 1 1 24 24 ILE N N 24 118.125 118.125 120.206 -2.081 25037 2613 1 10 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.169 -0.327 25037 2614 1 10 . 1 1 24 24 ILE CA C 24 65.094 65.094 64.744 0.350 25037 2615 1 10 . 1 1 24 24 ILE CB C 24 37.778 37.778 36.995 0.783 25037 2616 1 10 . 1 1 24 24 ILE H H 24 7.871 7.871 7.706 0.165 25037 2617 1 10 . 1 1 25 25 ALA N N 25 125.380 125.380 123.571 1.809 25037 2618 1 10 . 1 1 25 25 ALA HA H 25 3.855 3.855 3.976 -0.121 25037 2619 1 10 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.868 1.114 25037 2620 1 10 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.524 0.790 25037 2621 1 10 . 1 1 25 25 ALA H H 25 8.452 8.452 8.068 0.384 25037 2622 1 10 . 1 1 26 26 LEU N N 26 119.285 119.285 119.308 -0.023 25037 2623 1 10 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.961 0.080 25037 2624 1 10 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.977 -0.000 25037 2625 1 10 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.819 0.518 25037 2626 1 10 . 1 1 26 26 LEU H H 26 7.936 7.936 8.130 -0.194 25037 2627 1 10 . 1 1 27 27 GLU N N 27 115.748 115.748 116.281 -0.533 25037 2628 1 10 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.343 -0.134 25037 2629 1 10 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.561 -0.318 25037 2630 1 10 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.006 0.830 25037 2631 1 10 . 1 1 27 27 GLU H H 27 8.050 8.050 8.553 -0.503 25037 2632 1 10 . 1 1 28 28 SER N N 28 113.421 113.421 113.088 0.333 25037 2633 1 10 . 1 1 28 28 SER HA H 28 4.597 4.597 4.585 0.012 25037 2634 1 10 . 1 1 28 28 SER CB C 28 65.743 65.743 64.286 1.457 25037 2635 1 10 . 1 1 28 28 SER H H 28 8.476 8.476 8.301 0.175 25037 2636 1 10 . 1 1 29 29 GLY N N 29 112.001 112.001 112.227 -0.226 25037 2637 1 10 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.640 0.253 25037 2638 1 10 . 1 1 29 29 GLY H H 29 8.074 8.074 8.075 -0.001 25037 2639 1 10 . 1 1 30 30 LEU N N 30 120.750 120.750 119.291 1.459 25037 2640 1 10 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.497 0.112 25037 2641 1 10 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.911 1.266 25037 2642 1 10 . 1 1 30 30 LEU H H 30 7.545 7.545 7.369 0.176 25037 2643 1 10 . 1 1 31 31 SER N N 31 113.993 113.993 111.706 2.287 25037 2644 1 10 . 1 1 31 31 SER HA H 31 4.568 4.568 4.688 -0.120 25037 2645 1 10 . 1 1 31 31 SER CB C 31 64.928 64.928 64.892 0.036 25037 2646 1 10 . 1 1 31 31 SER H H 31 8.326 8.326 8.048 0.278 25037 2647 1 10 . 1 1 32 32 THR HA H 32 3.606 3.606 4.025 -0.419 25037 2648 1 10 . 1 1 32 32 THR CA C 32 66.547 66.547 66.515 0.032 25037 2649 1 10 . 1 1 32 32 THR CB C 32 67.740 67.740 68.623 -0.883 25037 2650 1 10 . 1 1 33 33 GLY CA C 33 46.761 46.761 47.178 -0.417 25037 2651 1 10 . 1 1 33 33 GLY H H 33 7.877 7.877 8.812 -0.935 25037 2652 1 10 . 1 1 34 34 THR N N 34 121.948 121.948 119.633 2.315 25037 2653 1 10 . 1 1 34 34 THR HA H 34 3.737 3.737 3.493 0.244 25037 2654 1 10 . 1 1 34 34 THR CA C 34 66.578 66.578 66.219 0.359 25037 2655 1 10 . 1 1 34 34 THR CB C 34 67.956 67.956 68.531 -0.575 25037 2656 1 10 . 1 1 34 34 THR H H 34 7.877 7.877 7.140 0.737 25037 2657 1 10 . 1 1 35 35 ILE N N 35 120.301 120.301 121.815 -1.514 25037 2658 1 10 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.423 -0.224 25037 2659 1 10 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.996 -0.482 25037 2660 1 10 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.601 0.268 25037 2661 1 10 . 1 1 35 35 ILE H H 35 7.750 7.750 8.052 -0.302 25037 2662 1 10 . 1 1 36 36 SER N N 36 113.120 113.120 114.702 -1.582 25037 2663 1 10 . 1 1 36 36 SER HA H 36 3.535 3.535 4.038 -0.503 25037 2664 1 10 . 1 1 36 36 SER CA C 36 61.365 61.365 62.234 -0.869 25037 2665 1 10 . 1 1 36 36 SER CB C 36 62.114 62.114 62.542 -0.428 25037 2666 1 10 . 1 1 36 36 SER H H 36 8.322 8.322 8.294 0.028 25037 2667 1 10 . 1 1 37 37 SER N N 37 116.941 116.941 117.707 -0.766 25037 2668 1 10 . 1 1 37 37 SER HA H 37 4.196 4.196 4.270 -0.074 25037 2669 1 10 . 1 1 37 37 SER CA C 37 61.201 61.201 61.218 -0.017 25037 2670 1 10 . 1 1 37 37 SER CB C 37 63.821 63.821 63.004 0.817 25037 2671 1 10 . 1 1 37 37 SER H H 37 8.096 8.096 7.705 0.391 25037 2672 1 10 . 1 1 38 38 PHE N N 38 123.225 123.225 123.614 -0.389 25037 2673 1 10 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.247 0.107 25037 2674 1 10 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.431 0.468 25037 2675 1 10 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.247 0.063 25037 2676 1 10 . 1 1 38 38 PHE H H 38 8.541 8.541 8.471 0.070 25037 2677 1 10 . 1 1 39 39 ILE N N 39 121.189 121.189 120.729 0.460 25037 2678 1 10 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.524 -0.094 25037 2679 1 10 . 1 1 39 39 ILE CA C 39 65.804 65.804 65.543 0.261 25037 2680 1 10 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.765 0.093 25037 2681 1 10 . 1 1 39 39 ILE H H 39 8.619 8.619 8.597 0.022 25037 2682 1 10 . 1 1 40 40 ASN N N 40 115.447 115.447 115.807 -0.360 25037 2683 1 10 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.460 0.188 25037 2684 1 10 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.442 0.801 25037 2685 1 10 . 1 1 40 40 ASN H H 40 7.547 7.547 8.187 -0.640 25037 2686 1 10 . 1 1 41 41 ASP N N 41 119.335 119.335 115.808 3.527 25037 2687 1 10 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.264 0.129 25037 2688 1 10 . 1 1 41 41 ASP CA C 41 54.531 54.531 56.046 -1.515 25037 2689 1 10 . 1 1 41 41 ASP CB C 41 39.581 39.581 40.140 -0.559 25037 2690 1 10 . 1 1 41 41 ASP H H 41 7.933 7.933 7.853 0.080 25037 2691 1 10 . 1 1 42 42 LYS N N 42 117.025 117.025 116.634 0.391 25037 2692 1 10 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.181 0.339 25037 2693 1 10 . 1 1 42 42 LYS CB C 42 33.693 33.693 32.884 0.809 25037 2694 1 10 . 1 1 42 42 LYS H H 42 8.418 8.418 7.606 0.812 25037 2695 1 10 . 1 1 43 43 TYR N N 43 122.804 122.804 121.449 1.355 25037 2696 1 10 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.320 0.343 25037 2697 1 10 . 1 1 43 43 TYR CB C 43 38.132 38.132 39.048 -0.916 25037 2698 1 10 . 1 1 43 43 TYR H H 43 8.437 8.437 7.635 0.802 25037 2699 1 10 . 1 1 44 44 ASN CB C 44 38.647 38.647 39.694 -1.047 25037 2700 1 10 . 1 1 45 45 GLY CA C 45 45.034 45.034 45.577 -0.542 25037 2701 1 10 . 1 1 46 46 ASP CB C 46 40.065 40.065 39.936 0.129 25037 2702 1 10 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.651 -0.131 25037 2703 1 10 . 1 1 47 47 ASN CA C 47 54.705 54.705 55.852 -1.147 25037 2704 1 10 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.648 1.614 25037 2705 1 10 . 1 1 47 47 ASN H H 47 8.291 8.291 8.814 -0.523 25037 2706 1 10 . 1 1 48 48 GLU N N 48 121.849 121.849 120.965 0.884 25037 2707 1 10 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.117 0.010 25037 2708 1 10 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.561 0.491 25037 2709 1 10 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.536 -0.381 25037 2710 1 10 . 1 1 48 48 GLU H H 48 8.695 8.695 8.893 -0.198 25037 2711 1 10 . 1 1 49 49 ARG N N 49 120.467 120.467 119.770 0.697 25037 2712 1 10 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.085 0.020 25037 2713 1 10 . 1 1 49 49 ARG CA C 49 59.130 59.130 59.295 -0.165 25037 2714 1 10 . 1 1 49 49 ARG CB C 49 30.078 30.078 30.102 -0.024 25037 2715 1 10 . 1 1 49 49 ARG H H 49 7.958 7.958 7.686 0.272 25037 2716 1 10 . 1 1 50 50 VAL N N 50 119.496 119.496 118.770 0.726 25037 2717 1 10 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.516 -0.154 25037 2718 1 10 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.234 0.775 25037 2719 1 10 . 1 1 50 50 VAL CB C 50 31.759 31.759 30.919 0.841 25037 2720 1 10 . 1 1 50 50 VAL H H 50 7.767 7.767 7.464 0.303 25037 2721 1 10 . 1 1 51 51 SER N N 51 114.856 114.856 115.952 -1.096 25037 2722 1 10 . 1 1 51 51 SER HA H 51 3.665 3.665 3.600 0.065 25037 2723 1 10 . 1 1 51 51 SER CA C 51 62.288 62.288 61.715 0.573 25037 2724 1 10 . 1 1 51 51 SER CB C 51 62.823 62.823 62.700 0.123 25037 2725 1 10 . 1 1 51 51 SER H H 51 8.296 8.296 8.283 0.013 25037 2726 1 10 . 1 1 52 52 GLN N N 52 120.482 120.482 120.814 -0.332 25037 2727 1 10 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.050 0.117 25037 2728 1 10 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.857 0.322 25037 2729 1 10 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.326 0.115 25037 2730 1 10 . 1 1 52 52 GLN H H 52 8.012 8.012 8.304 -0.292 25037 2731 1 10 . 1 1 53 53 THR N N 53 117.745 117.745 117.057 0.688 25037 2732 1 10 . 1 1 53 53 THR HA H 53 3.981 3.981 4.071 -0.090 25037 2733 1 10 . 1 1 53 53 THR CA C 53 67.070 67.070 66.539 0.531 25037 2734 1 10 . 1 1 53 53 THR CB C 53 68.860 68.860 68.517 0.343 25037 2735 1 10 . 1 1 53 53 THR H H 53 7.960 7.960 7.888 0.072 25037 2736 1 10 . 1 1 54 54 LEU N N 54 122.166 122.166 121.683 0.483 25037 2737 1 10 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.809 0.525 25037 2738 1 10 . 1 1 54 54 LEU CA C 54 57.483 57.483 58.245 -0.762 25037 2739 1 10 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.013 0.067 25037 2740 1 10 . 1 1 54 54 LEU H H 54 8.376 8.376 8.134 0.242 25037 2741 1 10 . 1 1 55 55 GLN N N 55 122.381 122.381 118.814 3.567 25037 2742 1 10 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.983 0.077 25037 2743 1 10 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.568 -0.141 25037 2744 1 10 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.405 -0.857 25037 2745 1 10 . 1 1 55 55 GLN H H 55 9.086 9.086 8.423 0.663 25037 2746 1 10 . 1 1 56 56 ARG N N 56 117.595 117.595 119.393 -1.798 25037 2747 1 10 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.074 0.105 25037 2748 1 10 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.498 -2.050 25037 2749 1 10 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.121 0.071 25037 2750 1 10 . 1 1 56 56 ARG H H 56 7.690 7.690 7.648 0.042 25037 2751 1 10 . 1 1 57 57 TRP N N 57 120.743 120.743 122.035 -1.292 25037 2752 1 10 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.356 -0.260 25037 2753 1 10 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.451 -2.595 25037 2754 1 10 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.367 -0.810 25037 2755 1 10 . 1 1 57 57 TRP H H 57 7.754 7.754 7.828 -0.074 25037 2756 1 10 . 1 1 58 58 LEU N N 58 121.472 121.472 119.788 1.684 25037 2757 1 10 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.846 -0.166 25037 2758 1 10 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.603 -0.425 25037 2759 1 10 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.890 1.057 25037 2760 1 10 . 1 1 58 58 LEU H H 58 8.699 8.699 8.948 -0.249 25037 2761 1 10 . 1 1 59 59 GLU N N 59 117.216 117.216 119.236 -2.020 25037 2762 1 10 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.972 -0.015 25037 2763 1 10 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.993 -1.158 25037 2764 1 10 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.465 0.359 25037 2765 1 10 . 1 1 59 59 GLU H H 59 8.301 8.301 8.695 -0.394 25037 2766 1 10 . 1 1 60 60 LYS N N 60 118.414 118.414 118.059 0.355 25037 2767 1 10 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.035 -0.012 25037 2768 1 10 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.686 -0.802 25037 2769 1 10 . 1 1 60 60 LYS CB C 60 32.425 32.425 32.135 0.290 25037 2770 1 10 . 1 1 60 60 LYS H H 60 7.499 7.499 7.537 -0.038 25037 2771 1 10 . 1 1 61 61 TYR N N 61 120.082 120.082 119.445 0.637 25037 2772 1 10 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.942 -0.193 25037 2773 1 10 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.318 -1.268 25037 2774 1 10 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.278 0.352 25037 2775 1 10 . 1 1 61 61 TYR H H 61 7.852 7.852 7.697 0.155 25037 2776 1 10 . 1 1 62 62 HIS N N 62 117.180 117.180 114.721 2.459 25037 2777 1 10 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.331 0.171 25037 2778 1 10 . 1 1 62 62 HIS CA C 62 55.698 55.698 58.385 -2.687 25037 2779 1 10 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.625 -0.390 25037 2780 1 10 . 1 1 62 62 HIS H H 62 7.600 7.600 8.516 -0.916 25037 2781 1 11 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.436 0.120 25037 2782 1 11 . 1 1 0 0 PRO CA C 0 63.199 63.199 63.035 0.164 25037 2783 1 11 . 1 1 0 0 PRO CB C 0 32.310 32.310 32.010 0.300 25037 2784 1 11 . 1 1 1 1 MET N N 1 122.140 122.140 124.179 -2.039 25037 2785 1 11 . 1 1 1 1 MET HA H 1 4.507 4.507 4.374 0.133 25037 2786 1 11 . 1 1 1 1 MET CB C 1 34.854 34.854 32.873 1.981 25037 2787 1 11 . 1 1 1 1 MET H H 1 8.665 8.665 8.253 0.412 25037 2788 1 11 . 1 1 2 2 ASN N N 2 121.514 121.514 123.032 -1.518 25037 2789 1 11 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.750 0.057 25037 2790 1 11 . 1 1 2 2 ASN CB C 2 39.205 39.205 39.294 -0.089 25037 2791 1 11 . 1 1 2 2 ASN H H 2 8.927 8.927 8.357 0.570 25037 2792 1 11 . 1 1 3 3 ILE N N 3 123.748 123.748 120.729 3.019 25037 2793 1 11 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.894 0.065 25037 2794 1 11 . 1 1 3 3 ILE CA C 3 65.293 65.293 65.316 -0.023 25037 2795 1 11 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.966 0.138 25037 2796 1 11 . 1 1 3 3 ILE H H 3 8.721 8.721 8.626 0.095 25037 2797 1 11 . 1 1 4 4 SER N N 4 115.783 115.783 114.875 0.908 25037 2798 1 11 . 1 1 4 4 SER HA H 4 4.147 4.147 4.091 0.056 25037 2799 1 11 . 1 1 4 4 SER CA C 4 61.528 61.528 61.785 -0.257 25037 2800 1 11 . 1 1 4 4 SER CB C 4 62.284 62.284 62.611 -0.327 25037 2801 1 11 . 1 1 4 4 SER H H 4 8.386 8.386 8.193 0.193 25037 2802 1 11 . 1 1 5 5 ASP N N 5 122.493 122.493 122.572 -0.079 25037 2803 1 11 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.538 0.085 25037 2804 1 11 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.826 0.016 25037 2805 1 11 . 1 1 5 5 ASP H H 5 7.855 7.855 8.528 -0.673 25037 2806 1 11 . 1 1 6 6 ILE N N 6 123.982 123.982 120.055 3.927 25037 2807 1 11 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.671 0.126 25037 2808 1 11 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.660 -0.888 25037 2809 1 11 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.108 0.216 25037 2810 1 11 . 1 1 6 6 ILE H H 6 8.048 8.048 8.414 -0.366 25037 2811 1 11 . 1 1 7 7 ARG N N 7 118.105 118.105 118.747 -0.642 25037 2812 1 11 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.210 -0.393 25037 2813 1 11 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.118 0.614 25037 2814 1 11 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.407 0.641 25037 2815 1 11 . 1 1 7 7 ARG H H 7 8.285 8.285 8.021 0.264 25037 2816 1 11 . 1 1 8 8 ALA N N 8 118.807 118.807 121.969 -3.162 25037 2817 1 11 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.142 -0.019 25037 2818 1 11 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.792 0.301 25037 2819 1 11 . 1 1 8 8 ALA CB C 8 18.553 18.553 17.980 0.573 25037 2820 1 11 . 1 1 8 8 ALA H H 8 8.093 8.093 7.604 0.489 25037 2821 1 11 . 1 1 9 9 GLY N N 9 107.079 107.079 106.650 0.429 25037 2822 1 11 . 1 1 9 9 GLY CA C 9 47.084 47.084 46.495 0.589 25037 2823 1 11 . 1 1 9 9 GLY H H 9 8.358 8.358 7.719 0.639 25037 2824 1 11 . 1 1 10 10 LEU N N 10 121.077 121.077 122.773 -1.696 25037 2825 1 11 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.852 0.278 25037 2826 1 11 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.617 0.362 25037 2827 1 11 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.616 1.036 25037 2828 1 11 . 1 1 10 10 LEU H H 10 8.116 8.116 7.389 0.727 25037 2829 1 11 . 1 1 11 11 ARG N N 11 118.227 118.227 118.140 0.087 25037 2830 1 11 . 1 1 11 11 ARG HA H 11 3.803 3.803 3.925 -0.122 25037 2831 1 11 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.868 0.557 25037 2832 1 11 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.061 1.260 25037 2833 1 11 . 1 1 11 11 ARG H H 11 8.472 8.472 8.054 0.418 25037 2834 1 11 . 1 1 12 12 THR N N 12 114.121 114.121 117.431 -3.310 25037 2835 1 11 . 1 1 12 12 THR HA H 12 3.965 3.965 4.025 -0.060 25037 2836 1 11 . 1 1 12 12 THR CA C 12 66.730 66.730 66.657 0.073 25037 2837 1 11 . 1 1 12 12 THR CB C 12 69.178 69.178 68.179 0.999 25037 2838 1 11 . 1 1 12 12 THR H H 12 8.180 8.180 7.515 0.665 25037 2839 1 11 . 1 1 13 13 LEU N N 13 119.606 119.606 120.503 -0.897 25037 2840 1 11 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.093 0.007 25037 2841 1 11 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.111 -0.043 25037 2842 1 11 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.173 1.846 25037 2843 1 11 . 1 1 13 13 LEU H H 13 7.156 7.156 7.685 -0.529 25037 2844 1 11 . 1 1 14 14 VAL N N 14 117.777 117.777 114.612 3.165 25037 2845 1 11 . 1 1 14 14 VAL HA H 14 3.808 3.808 3.864 -0.056 25037 2846 1 11 . 1 1 14 14 VAL CA C 14 65.464 65.464 65.342 0.122 25037 2847 1 11 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.394 0.501 25037 2848 1 11 . 1 1 14 14 VAL H H 14 7.785 7.785 7.942 -0.157 25037 2849 1 11 . 1 1 15 15 GLU N N 15 123.041 123.041 121.635 1.406 25037 2850 1 11 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.122 -0.053 25037 2851 1 11 . 1 1 15 15 GLU CA C 15 57.624 57.624 59.052 -1.428 25037 2852 1 11 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.282 -0.086 25037 2853 1 11 . 1 1 15 15 GLU H H 15 8.961 8.961 8.773 0.188 25037 2854 1 11 . 1 1 16 16 ASN N N 16 114.935 114.935 114.988 -0.053 25037 2855 1 11 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.888 -0.061 25037 2856 1 11 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.220 -0.694 25037 2857 1 11 . 1 1 16 16 ASN H H 16 7.863 7.863 7.660 0.203 25037 2858 1 11 . 1 1 17 17 GLU N N 17 113.841 113.841 115.446 -1.605 25037 2859 1 11 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.965 0.105 25037 2860 1 11 . 1 1 17 17 GLU CA C 17 57.624 57.624 58.064 -0.440 25037 2861 1 11 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.177 1.967 25037 2862 1 11 . 1 1 17 17 GLU H H 17 8.008 8.008 7.909 0.099 25037 2863 1 11 . 1 1 18 18 GLU N N 18 117.787 117.787 116.198 1.589 25037 2864 1 11 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.113 0.197 25037 2865 1 11 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.375 -0.122 25037 2866 1 11 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.104 0.273 25037 2867 1 11 . 1 1 18 18 GLU H H 18 8.517 8.517 8.134 0.383 25037 2868 1 11 . 1 1 19 19 THR N N 19 110.292 110.292 110.363 -0.071 25037 2869 1 11 . 1 1 19 19 THR HA H 19 4.562 4.562 4.550 0.012 25037 2870 1 11 . 1 1 19 19 THR CB C 19 68.196 68.196 69.717 -1.521 25037 2871 1 11 . 1 1 19 19 THR H H 19 7.457 7.457 7.339 0.118 25037 2872 1 11 . 1 1 20 20 THR N N 20 109.626 109.626 115.260 -5.634 25037 2873 1 11 . 1 1 20 20 THR HA H 20 4.633 4.633 4.788 -0.155 25037 2874 1 11 . 1 1 20 20 THR H H 20 8.188 8.188 8.222 -0.034 25037 2875 1 11 . 1 1 21 21 PHE N N 21 118.935 118.935 123.934 -4.999 25037 2876 1 11 . 1 1 21 21 PHE HA H 21 4.238 4.238 3.983 0.255 25037 2877 1 11 . 1 1 21 21 PHE CA C 21 60.267 60.267 63.076 -2.809 25037 2878 1 11 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.614 -0.818 25037 2879 1 11 . 1 1 21 21 PHE H H 21 8.714 8.714 9.082 -0.368 25037 2880 1 11 . 1 1 22 22 LYS N N 22 116.962 116.962 117.690 -0.728 25037 2881 1 11 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.897 -0.016 25037 2882 1 11 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.634 -0.045 25037 2883 1 11 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.533 0.980 25037 2884 1 11 . 1 1 22 22 LYS H H 22 8.234 8.234 8.649 -0.415 25037 2885 1 11 . 1 1 23 23 GLN N N 23 121.042 121.042 119.910 1.132 25037 2886 1 11 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.192 -0.217 25037 2887 1 11 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.565 0.409 25037 2888 1 11 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.270 -0.330 25037 2889 1 11 . 1 1 23 23 GLN H H 23 7.859 7.859 7.736 0.123 25037 2890 1 11 . 1 1 24 24 ILE N N 24 118.125 118.125 120.337 -2.212 25037 2891 1 11 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.225 -0.383 25037 2892 1 11 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.249 -0.155 25037 2893 1 11 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.073 0.705 25037 2894 1 11 . 1 1 24 24 ILE H H 24 7.871 7.871 8.201 -0.330 25037 2895 1 11 . 1 1 25 25 ALA N N 25 125.380 125.380 123.634 1.746 25037 2896 1 11 . 1 1 25 25 ALA HA H 25 3.855 3.855 4.048 -0.193 25037 2897 1 11 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.950 1.032 25037 2898 1 11 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.560 0.754 25037 2899 1 11 . 1 1 25 25 ALA H H 25 8.452 8.452 8.245 0.207 25037 2900 1 11 . 1 1 26 26 LEU N N 26 119.285 119.285 119.012 0.273 25037 2901 1 11 . 1 1 26 26 LEU HA H 26 4.041 4.041 4.012 0.029 25037 2902 1 11 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.952 0.024 25037 2903 1 11 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.758 0.579 25037 2904 1 11 . 1 1 26 26 LEU H H 26 7.936 7.936 8.340 -0.404 25037 2905 1 11 . 1 1 27 27 GLU N N 27 115.748 115.748 117.455 -1.707 25037 2906 1 11 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.314 -0.105 25037 2907 1 11 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.494 -0.251 25037 2908 1 11 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.171 0.665 25037 2909 1 11 . 1 1 27 27 GLU H H 27 8.050 8.050 8.639 -0.589 25037 2910 1 11 . 1 1 28 28 SER N N 28 113.421 113.421 112.317 1.104 25037 2911 1 11 . 1 1 28 28 SER HA H 28 4.597 4.597 4.357 0.240 25037 2912 1 11 . 1 1 28 28 SER CB C 28 65.743 65.743 64.623 1.120 25037 2913 1 11 . 1 1 28 28 SER H H 28 8.476 8.476 8.240 0.236 25037 2914 1 11 . 1 1 29 29 GLY N N 29 112.001 112.001 111.080 0.921 25037 2915 1 11 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.090 0.803 25037 2916 1 11 . 1 1 29 29 GLY H H 29 8.074 8.074 8.139 -0.065 25037 2917 1 11 . 1 1 30 30 LEU N N 30 120.750 120.750 119.408 1.342 25037 2918 1 11 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.646 -0.037 25037 2919 1 11 . 1 1 30 30 LEU CB C 30 44.177 44.177 43.936 0.241 25037 2920 1 11 . 1 1 30 30 LEU H H 30 7.545 7.545 7.371 0.174 25037 2921 1 11 . 1 1 31 31 SER N N 31 113.993 113.993 114.644 -0.651 25037 2922 1 11 . 1 1 31 31 SER HA H 31 4.568 4.568 4.663 -0.095 25037 2923 1 11 . 1 1 31 31 SER CB C 31 64.928 64.928 65.162 -0.234 25037 2924 1 11 . 1 1 31 31 SER H H 31 8.326 8.326 8.568 -0.242 25037 2925 1 11 . 1 1 32 32 THR HA H 32 3.606 3.606 4.161 -0.555 25037 2926 1 11 . 1 1 32 32 THR CA C 32 66.547 66.547 65.251 1.296 25037 2927 1 11 . 1 1 32 32 THR CB C 32 67.740 67.740 68.462 -0.722 25037 2928 1 11 . 1 1 33 33 GLY CA C 33 46.761 46.761 46.800 -0.039 25037 2929 1 11 . 1 1 33 33 GLY H H 33 7.877 7.877 8.448 -0.571 25037 2930 1 11 . 1 1 34 34 THR N N 34 121.948 121.948 119.614 2.334 25037 2931 1 11 . 1 1 34 34 THR HA H 34 3.737 3.737 4.086 -0.349 25037 2932 1 11 . 1 1 34 34 THR CA C 34 66.578 66.578 66.985 -0.407 25037 2933 1 11 . 1 1 34 34 THR CB C 34 67.956 67.956 68.655 -0.699 25037 2934 1 11 . 1 1 34 34 THR H H 34 7.877 7.877 7.617 0.260 25037 2935 1 11 . 1 1 35 35 ILE N N 35 120.301 120.301 121.049 -0.748 25037 2936 1 11 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.655 -0.456 25037 2937 1 11 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.781 -0.267 25037 2938 1 11 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.586 0.283 25037 2939 1 11 . 1 1 35 35 ILE H H 35 7.750 7.750 7.672 0.078 25037 2940 1 11 . 1 1 36 36 SER N N 36 113.120 113.120 115.550 -2.430 25037 2941 1 11 . 1 1 36 36 SER HA H 36 3.535 3.535 4.134 -0.599 25037 2942 1 11 . 1 1 36 36 SER CA C 36 61.365 61.365 61.717 -0.352 25037 2943 1 11 . 1 1 36 36 SER CB C 36 62.114 62.114 62.678 -0.564 25037 2944 1 11 . 1 1 36 36 SER H H 36 8.322 8.322 7.835 0.487 25037 2945 1 11 . 1 1 37 37 SER N N 37 116.941 116.941 117.519 -0.578 25037 2946 1 11 . 1 1 37 37 SER HA H 37 4.196 4.196 4.250 -0.054 25037 2947 1 11 . 1 1 37 37 SER CA C 37 61.201 61.201 61.365 -0.164 25037 2948 1 11 . 1 1 37 37 SER CB C 37 63.821 63.821 63.187 0.634 25037 2949 1 11 . 1 1 37 37 SER H H 37 8.096 8.096 8.214 -0.118 25037 2950 1 11 . 1 1 38 38 PHE N N 38 123.225 123.225 122.786 0.439 25037 2951 1 11 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.253 0.101 25037 2952 1 11 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.492 0.407 25037 2953 1 11 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.106 0.204 25037 2954 1 11 . 1 1 38 38 PHE H H 38 8.541 8.541 8.163 0.378 25037 2955 1 11 . 1 1 39 39 ILE N N 39 121.189 121.189 118.991 2.198 25037 2956 1 11 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.610 -0.180 25037 2957 1 11 . 1 1 39 39 ILE CA C 39 65.804 65.804 64.605 1.199 25037 2958 1 11 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.669 0.189 25037 2959 1 11 . 1 1 39 39 ILE H H 39 8.619 8.619 8.483 0.136 25037 2960 1 11 . 1 1 40 40 ASN N N 40 115.447 115.447 115.541 -0.094 25037 2961 1 11 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.688 -0.040 25037 2962 1 11 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.518 0.725 25037 2963 1 11 . 1 1 40 40 ASN H H 40 7.547 7.547 8.198 -0.651 25037 2964 1 11 . 1 1 41 41 ASP N N 41 119.335 119.335 116.139 3.196 25037 2965 1 11 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.249 0.144 25037 2966 1 11 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.713 -1.182 25037 2967 1 11 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.818 -0.237 25037 2968 1 11 . 1 1 41 41 ASP H H 41 7.933 7.933 7.787 0.146 25037 2969 1 11 . 1 1 42 42 LYS N N 42 117.025 117.025 116.521 0.504 25037 2970 1 11 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.300 0.220 25037 2971 1 11 . 1 1 42 42 LYS CB C 42 33.693 33.693 33.122 0.571 25037 2972 1 11 . 1 1 42 42 LYS H H 42 8.418 8.418 8.013 0.405 25037 2973 1 11 . 1 1 43 43 TYR N N 43 122.804 122.804 122.089 0.715 25037 2974 1 11 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.287 0.376 25037 2975 1 11 . 1 1 43 43 TYR CB C 43 38.132 38.132 39.097 -0.965 25037 2976 1 11 . 1 1 43 43 TYR H H 43 8.437 8.437 7.804 0.633 25037 2977 1 11 . 1 1 44 44 ASN CB C 44 38.647 38.647 39.667 -1.020 25037 2978 1 11 . 1 1 45 45 GLY CA C 45 45.034 45.034 45.465 -0.431 25037 2979 1 11 . 1 1 46 46 ASP CB C 46 40.065 40.065 39.711 0.354 25037 2980 1 11 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.414 0.106 25037 2981 1 11 . 1 1 47 47 ASN CA C 47 54.705 54.705 56.681 -1.976 25037 2982 1 11 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.434 1.828 25037 2983 1 11 . 1 1 47 47 ASN H H 47 8.291 8.291 9.015 -0.724 25037 2984 1 11 . 1 1 48 48 GLU N N 48 121.849 121.849 120.906 0.943 25037 2985 1 11 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.061 0.066 25037 2986 1 11 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.900 0.152 25037 2987 1 11 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.562 -0.407 25037 2988 1 11 . 1 1 48 48 GLU H H 48 8.695 8.695 8.814 -0.119 25037 2989 1 11 . 1 1 49 49 ARG N N 49 120.467 120.467 119.816 0.651 25037 2990 1 11 . 1 1 49 49 ARG HA H 49 4.105 4.105 3.974 0.131 25037 2991 1 11 . 1 1 49 49 ARG CA C 49 59.130 59.130 59.448 -0.318 25037 2992 1 11 . 1 1 49 49 ARG CB C 49 30.078 30.078 29.931 0.147 25037 2993 1 11 . 1 1 49 49 ARG H H 49 7.958 7.958 7.482 0.476 25037 2994 1 11 . 1 1 50 50 VAL N N 50 119.496 119.496 118.889 0.607 25037 2995 1 11 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.389 -0.027 25037 2996 1 11 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.726 0.282 25037 2997 1 11 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.346 0.413 25037 2998 1 11 . 1 1 50 50 VAL H H 50 7.767 7.767 8.002 -0.235 25037 2999 1 11 . 1 1 51 51 SER N N 51 114.856 114.856 115.247 -0.391 25037 3000 1 11 . 1 1 51 51 SER HA H 51 3.665 3.665 3.477 0.188 25037 3001 1 11 . 1 1 51 51 SER CA C 51 62.288 62.288 61.794 0.494 25037 3002 1 11 . 1 1 51 51 SER CB C 51 62.823 62.823 62.347 0.476 25037 3003 1 11 . 1 1 51 51 SER H H 51 8.296 8.296 8.067 0.229 25037 3004 1 11 . 1 1 52 52 GLN N N 52 120.482 120.482 120.195 0.287 25037 3005 1 11 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.091 0.076 25037 3006 1 11 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.237 0.942 25037 3007 1 11 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.005 0.436 25037 3008 1 11 . 1 1 52 52 GLN H H 52 8.012 8.012 8.532 -0.520 25037 3009 1 11 . 1 1 53 53 THR N N 53 117.745 117.745 117.684 0.061 25037 3010 1 11 . 1 1 53 53 THR HA H 53 3.981 3.981 4.072 -0.091 25037 3011 1 11 . 1 1 53 53 THR CA C 53 67.070 67.070 66.765 0.305 25037 3012 1 11 . 1 1 53 53 THR CB C 53 68.860 68.860 68.672 0.188 25037 3013 1 11 . 1 1 53 53 THR H H 53 7.960 7.960 7.291 0.669 25037 3014 1 11 . 1 1 54 54 LEU N N 54 122.166 122.166 121.792 0.374 25037 3015 1 11 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.963 0.371 25037 3016 1 11 . 1 1 54 54 LEU CA C 54 57.483 57.483 58.049 -0.566 25037 3017 1 11 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.231 -0.151 25037 3018 1 11 . 1 1 54 54 LEU H H 54 8.376 8.376 8.099 0.277 25037 3019 1 11 . 1 1 55 55 GLN N N 55 122.381 122.381 118.897 3.484 25037 3020 1 11 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.972 0.088 25037 3021 1 11 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.654 -0.227 25037 3022 1 11 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.288 -0.740 25037 3023 1 11 . 1 1 55 55 GLN H H 55 9.086 9.086 8.529 0.557 25037 3024 1 11 . 1 1 56 56 ARG N N 56 117.595 117.595 119.311 -1.716 25037 3025 1 11 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.000 0.179 25037 3026 1 11 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.385 -1.937 25037 3027 1 11 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.013 0.179 25037 3028 1 11 . 1 1 56 56 ARG H H 56 7.690 7.690 7.613 0.077 25037 3029 1 11 . 1 1 57 57 TRP N N 57 120.743 120.743 121.838 -1.095 25037 3030 1 11 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.356 -0.260 25037 3031 1 11 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.671 -2.815 25037 3032 1 11 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.203 -0.646 25037 3033 1 11 . 1 1 57 57 TRP H H 57 7.754 7.754 7.795 -0.041 25037 3034 1 11 . 1 1 58 58 LEU N N 58 121.472 121.472 119.725 1.747 25037 3035 1 11 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.606 0.074 25037 3036 1 11 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.112 0.066 25037 3037 1 11 . 1 1 58 58 LEU CB C 58 42.947 42.947 42.141 0.806 25037 3038 1 11 . 1 1 58 58 LEU H H 58 8.699 8.699 8.741 -0.042 25037 3039 1 11 . 1 1 59 59 GLU N N 59 117.216 117.216 119.242 -2.026 25037 3040 1 11 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.921 0.036 25037 3041 1 11 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.859 -1.024 25037 3042 1 11 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.479 0.345 25037 3043 1 11 . 1 1 59 59 GLU H H 59 8.301 8.301 8.624 -0.323 25037 3044 1 11 . 1 1 60 60 LYS N N 60 118.414 118.414 118.021 0.393 25037 3045 1 11 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.335 -0.312 25037 3046 1 11 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.531 -0.647 25037 3047 1 11 . 1 1 60 60 LYS CB C 60 32.425 32.425 31.885 0.540 25037 3048 1 11 . 1 1 60 60 LYS H H 60 7.499 7.499 7.857 -0.358 25037 3049 1 11 . 1 1 61 61 TYR N N 61 120.082 120.082 121.412 -1.330 25037 3050 1 11 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.946 -0.197 25037 3051 1 11 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.717 -1.667 25037 3052 1 11 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.186 0.444 25037 3053 1 11 . 1 1 61 61 TYR H H 61 7.852 7.852 7.606 0.246 25037 3054 1 11 . 1 1 62 62 HIS N N 62 117.180 117.180 113.046 4.134 25037 3055 1 11 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.716 -0.214 25037 3056 1 11 . 1 1 62 62 HIS CA C 62 55.698 55.698 56.245 -0.547 25037 3057 1 11 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.947 -0.712 25037 3058 1 11 . 1 1 62 62 HIS H H 62 7.600 7.600 7.779 -0.179 25037 3059 1 12 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.591 -0.035 25037 3060 1 12 . 1 1 0 0 PRO CA C 0 63.199 63.199 63.034 0.165 25037 3061 1 12 . 1 1 0 0 PRO CB C 0 32.310 32.310 32.377 -0.067 25037 3062 1 12 . 1 1 1 1 MET N N 1 122.140 122.140 117.616 4.524 25037 3063 1 12 . 1 1 1 1 MET HA H 1 4.507 4.507 4.694 -0.187 25037 3064 1 12 . 1 1 1 1 MET CB C 1 34.854 34.854 34.556 0.298 25037 3065 1 12 . 1 1 1 1 MET H H 1 8.665 8.665 7.842 0.823 25037 3066 1 12 . 1 1 2 2 ASN N N 2 121.514 121.514 116.615 4.899 25037 3067 1 12 . 1 1 2 2 ASN HA H 2 4.807 4.807 5.119 -0.312 25037 3068 1 12 . 1 1 2 2 ASN CB C 2 39.205 39.205 41.697 -2.492 25037 3069 1 12 . 1 1 2 2 ASN H H 2 8.927 8.927 8.178 0.749 25037 3070 1 12 . 1 1 3 3 ILE N N 3 123.748 123.748 122.328 1.420 25037 3071 1 12 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.859 0.100 25037 3072 1 12 . 1 1 3 3 ILE CA C 3 65.293 65.293 65.462 -0.169 25037 3073 1 12 . 1 1 3 3 ILE CB C 3 38.104 38.104 38.258 -0.154 25037 3074 1 12 . 1 1 3 3 ILE H H 3 8.721 8.721 8.738 -0.017 25037 3075 1 12 . 1 1 4 4 SER N N 4 115.783 115.783 113.911 1.872 25037 3076 1 12 . 1 1 4 4 SER HA H 4 4.147 4.147 4.020 0.127 25037 3077 1 12 . 1 1 4 4 SER CA C 4 61.528 61.528 61.441 0.087 25037 3078 1 12 . 1 1 4 4 SER CB C 4 62.284 62.284 62.764 -0.480 25037 3079 1 12 . 1 1 4 4 SER H H 4 8.386 8.386 8.418 -0.032 25037 3080 1 12 . 1 1 5 5 ASP N N 5 122.493 122.493 122.506 -0.013 25037 3081 1 12 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.451 0.172 25037 3082 1 12 . 1 1 5 5 ASP CB C 5 40.842 40.842 41.098 -0.256 25037 3083 1 12 . 1 1 5 5 ASP H H 5 7.855 7.855 7.826 0.029 25037 3084 1 12 . 1 1 6 6 ILE N N 6 123.982 123.982 120.174 3.808 25037 3085 1 12 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.616 0.181 25037 3086 1 12 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.372 -0.600 25037 3087 1 12 . 1 1 6 6 ILE CB C 6 38.324 38.324 37.957 0.367 25037 3088 1 12 . 1 1 6 6 ILE H H 6 8.048 8.048 7.694 0.354 25037 3089 1 12 . 1 1 7 7 ARG N N 7 118.105 118.105 119.183 -1.078 25037 3090 1 12 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.161 -0.344 25037 3091 1 12 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.359 0.373 25037 3092 1 12 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.624 0.423 25037 3093 1 12 . 1 1 7 7 ARG H H 7 8.285 8.285 8.191 0.094 25037 3094 1 12 . 1 1 8 8 ALA N N 8 118.807 118.807 120.713 -1.906 25037 3095 1 12 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.272 -0.149 25037 3096 1 12 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.113 0.980 25037 3097 1 12 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.141 0.412 25037 3098 1 12 . 1 1 8 8 ALA H H 8 8.093 8.093 7.489 0.604 25037 3099 1 12 . 1 1 9 9 GLY N N 9 107.079 107.079 107.369 -0.290 25037 3100 1 12 . 1 1 9 9 GLY CA C 9 47.084 47.084 46.097 0.987 25037 3101 1 12 . 1 1 9 9 GLY H H 9 8.358 8.358 7.576 0.782 25037 3102 1 12 . 1 1 10 10 LEU N N 10 121.077 121.077 122.549 -1.472 25037 3103 1 12 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.969 0.161 25037 3104 1 12 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.629 0.350 25037 3105 1 12 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.423 1.229 25037 3106 1 12 . 1 1 10 10 LEU H H 10 8.116 8.116 7.813 0.303 25037 3107 1 12 . 1 1 11 11 ARG N N 11 118.227 118.227 118.294 -0.067 25037 3108 1 12 . 1 1 11 11 ARG HA H 11 3.803 3.803 4.013 -0.210 25037 3109 1 12 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.448 0.977 25037 3110 1 12 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.181 1.140 25037 3111 1 12 . 1 1 11 11 ARG H H 11 8.472 8.472 7.848 0.624 25037 3112 1 12 . 1 1 12 12 THR N N 12 114.121 114.121 117.718 -3.597 25037 3113 1 12 . 1 1 12 12 THR HA H 12 3.965 3.965 4.100 -0.135 25037 3114 1 12 . 1 1 12 12 THR CA C 12 66.730 66.730 66.406 0.324 25037 3115 1 12 . 1 1 12 12 THR CB C 12 69.178 69.178 68.360 0.818 25037 3116 1 12 . 1 1 12 12 THR H H 12 8.180 8.180 7.653 0.527 25037 3117 1 12 . 1 1 13 13 LEU N N 13 119.606 119.606 121.499 -1.893 25037 3118 1 12 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.088 0.012 25037 3119 1 12 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.196 -0.128 25037 3120 1 12 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.124 1.895 25037 3121 1 12 . 1 1 13 13 LEU H H 13 7.156 7.156 7.966 -0.810 25037 3122 1 12 . 1 1 14 14 VAL N N 14 117.777 117.777 114.812 2.965 25037 3123 1 12 . 1 1 14 14 VAL HA H 14 3.808 3.808 3.783 0.025 25037 3124 1 12 . 1 1 14 14 VAL CA C 14 65.464 65.464 65.368 0.096 25037 3125 1 12 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.345 0.550 25037 3126 1 12 . 1 1 14 14 VAL H H 14 7.785 7.785 7.872 -0.087 25037 3127 1 12 . 1 1 15 15 GLU N N 15 123.041 123.041 121.370 1.671 25037 3128 1 12 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.123 -0.054 25037 3129 1 12 . 1 1 15 15 GLU CA C 15 57.624 57.624 59.034 -1.410 25037 3130 1 12 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.282 -0.086 25037 3131 1 12 . 1 1 15 15 GLU H H 15 8.961 8.961 8.140 0.821 25037 3132 1 12 . 1 1 16 16 ASN N N 16 114.935 114.935 115.005 -0.070 25037 3133 1 12 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.830 -0.003 25037 3134 1 12 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.192 -0.666 25037 3135 1 12 . 1 1 16 16 ASN H H 16 7.863 7.863 7.936 -0.073 25037 3136 1 12 . 1 1 17 17 GLU N N 17 113.841 113.841 116.356 -2.515 25037 3137 1 12 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.939 0.131 25037 3138 1 12 . 1 1 17 17 GLU CA C 17 57.624 57.624 57.762 -0.138 25037 3139 1 12 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.548 1.596 25037 3140 1 12 . 1 1 17 17 GLU H H 17 8.008 8.008 7.992 0.016 25037 3141 1 12 . 1 1 18 18 GLU N N 18 117.787 117.787 116.323 1.464 25037 3142 1 12 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.211 0.099 25037 3143 1 12 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.445 -0.192 25037 3144 1 12 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.320 0.057 25037 3145 1 12 . 1 1 18 18 GLU H H 18 8.517 8.517 8.422 0.095 25037 3146 1 12 . 1 1 19 19 THR N N 19 110.292 110.292 110.643 -0.351 25037 3147 1 12 . 1 1 19 19 THR HA H 19 4.562 4.562 4.555 0.007 25037 3148 1 12 . 1 1 19 19 THR CB C 19 68.196 68.196 69.298 -1.102 25037 3149 1 12 . 1 1 19 19 THR H H 19 7.457 7.457 7.543 -0.086 25037 3150 1 12 . 1 1 20 20 THR N N 20 109.626 109.626 112.306 -2.680 25037 3151 1 12 . 1 1 20 20 THR HA H 20 4.633 4.633 4.731 -0.098 25037 3152 1 12 . 1 1 20 20 THR H H 20 8.188 8.188 7.855 0.333 25037 3153 1 12 . 1 1 21 21 PHE N N 21 118.935 118.935 121.473 -2.538 25037 3154 1 12 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.017 0.221 25037 3155 1 12 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.883 -2.616 25037 3156 1 12 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.633 -0.837 25037 3157 1 12 . 1 1 21 21 PHE H H 21 8.714 8.714 8.810 -0.096 25037 3158 1 12 . 1 1 22 22 LYS N N 22 116.962 116.962 118.955 -1.993 25037 3159 1 12 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.988 -0.107 25037 3160 1 12 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.802 -0.213 25037 3161 1 12 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.958 0.555 25037 3162 1 12 . 1 1 22 22 LYS H H 22 8.234 8.234 8.280 -0.046 25037 3163 1 12 . 1 1 23 23 GLN N N 23 121.042 121.042 119.304 1.738 25037 3164 1 12 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.104 -0.129 25037 3165 1 12 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.482 0.492 25037 3166 1 12 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.241 -0.301 25037 3167 1 12 . 1 1 23 23 GLN H H 23 7.859 7.859 7.564 0.295 25037 3168 1 12 . 1 1 24 24 ILE N N 24 118.125 118.125 120.047 -1.922 25037 3169 1 12 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.273 -0.431 25037 3170 1 12 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.175 -0.081 25037 3171 1 12 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.271 0.507 25037 3172 1 12 . 1 1 24 24 ILE H H 24 7.871 7.871 8.285 -0.414 25037 3173 1 12 . 1 1 25 25 ALA N N 25 125.380 125.380 123.278 2.102 25037 3174 1 12 . 1 1 25 25 ALA HA H 25 3.855 3.855 4.001 -0.146 25037 3175 1 12 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.793 1.189 25037 3176 1 12 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.502 0.812 25037 3177 1 12 . 1 1 25 25 ALA H H 25 8.452 8.452 7.854 0.598 25037 3178 1 12 . 1 1 26 26 LEU N N 26 119.285 119.285 119.240 0.045 25037 3179 1 12 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.889 0.152 25037 3180 1 12 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.791 0.185 25037 3181 1 12 . 1 1 26 26 LEU CB C 26 42.337 42.337 42.088 0.249 25037 3182 1 12 . 1 1 26 26 LEU H H 26 7.936 7.936 8.052 -0.116 25037 3183 1 12 . 1 1 27 27 GLU N N 27 115.748 115.748 117.289 -1.541 25037 3184 1 12 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.215 -0.006 25037 3185 1 12 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.784 -0.541 25037 3186 1 12 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.062 0.774 25037 3187 1 12 . 1 1 27 27 GLU H H 27 8.050 8.050 8.251 -0.201 25037 3188 1 12 . 1 1 28 28 SER N N 28 113.421 113.421 112.010 1.411 25037 3189 1 12 . 1 1 28 28 SER HA H 28 4.597 4.597 4.326 0.271 25037 3190 1 12 . 1 1 28 28 SER CB C 28 65.743 65.743 64.457 1.286 25037 3191 1 12 . 1 1 28 28 SER H H 28 8.476 8.476 8.326 0.150 25037 3192 1 12 . 1 1 29 29 GLY N N 29 112.001 112.001 110.550 1.451 25037 3193 1 12 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.324 0.569 25037 3194 1 12 . 1 1 29 29 GLY H H 29 8.074 8.074 7.816 0.258 25037 3195 1 12 . 1 1 30 30 LEU N N 30 120.750 120.750 120.030 0.720 25037 3196 1 12 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.489 0.120 25037 3197 1 12 . 1 1 30 30 LEU CB C 30 44.177 44.177 43.030 1.147 25037 3198 1 12 . 1 1 30 30 LEU H H 30 7.545 7.545 7.499 0.046 25037 3199 1 12 . 1 1 31 31 SER N N 31 113.993 113.993 114.637 -0.644 25037 3200 1 12 . 1 1 31 31 SER HA H 31 4.568 4.568 4.669 -0.101 25037 3201 1 12 . 1 1 31 31 SER CB C 31 64.928 64.928 64.054 0.874 25037 3202 1 12 . 1 1 31 31 SER H H 31 8.326 8.326 8.243 0.083 25037 3203 1 12 . 1 1 32 32 THR HA H 32 3.606 3.606 4.158 -0.552 25037 3204 1 12 . 1 1 32 32 THR CA C 32 66.547 66.547 65.216 1.331 25037 3205 1 12 . 1 1 32 32 THR CB C 32 67.740 67.740 68.500 -0.760 25037 3206 1 12 . 1 1 33 33 GLY CA C 33 46.761 46.761 47.248 -0.487 25037 3207 1 12 . 1 1 33 33 GLY H H 33 7.877 7.877 7.951 -0.074 25037 3208 1 12 . 1 1 34 34 THR N N 34 121.948 121.948 119.687 2.261 25037 3209 1 12 . 1 1 34 34 THR HA H 34 3.737 3.737 4.053 -0.316 25037 3210 1 12 . 1 1 34 34 THR CA C 34 66.578 66.578 66.811 -0.233 25037 3211 1 12 . 1 1 34 34 THR CB C 34 67.956 67.956 68.638 -0.682 25037 3212 1 12 . 1 1 34 34 THR H H 34 7.877 7.877 7.889 -0.012 25037 3213 1 12 . 1 1 35 35 ILE N N 35 120.301 120.301 121.237 -0.936 25037 3214 1 12 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.544 -0.345 25037 3215 1 12 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.690 -0.176 25037 3216 1 12 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.836 0.033 25037 3217 1 12 . 1 1 35 35 ILE H H 35 7.750 7.750 7.681 0.069 25037 3218 1 12 . 1 1 36 36 SER N N 36 113.120 113.120 114.664 -1.544 25037 3219 1 12 . 1 1 36 36 SER HA H 36 3.535 3.535 4.189 -0.654 25037 3220 1 12 . 1 1 36 36 SER CA C 36 61.365 61.365 62.110 -0.745 25037 3221 1 12 . 1 1 36 36 SER CB C 36 62.114 62.114 62.289 -0.175 25037 3222 1 12 . 1 1 36 36 SER H H 36 8.322 8.322 7.782 0.540 25037 3223 1 12 . 1 1 37 37 SER N N 37 116.941 116.941 118.966 -2.025 25037 3224 1 12 . 1 1 37 37 SER HA H 37 4.196 4.196 4.205 -0.009 25037 3225 1 12 . 1 1 37 37 SER CA C 37 61.201 61.201 61.530 -0.329 25037 3226 1 12 . 1 1 37 37 SER CB C 37 63.821 63.821 63.138 0.683 25037 3227 1 12 . 1 1 37 37 SER H H 37 8.096 8.096 8.192 -0.096 25037 3228 1 12 . 1 1 38 38 PHE N N 38 123.225 123.225 122.952 0.273 25037 3229 1 12 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.279 0.075 25037 3230 1 12 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.747 0.152 25037 3231 1 12 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.111 0.199 25037 3232 1 12 . 1 1 38 38 PHE H H 38 8.541 8.541 8.585 -0.044 25037 3233 1 12 . 1 1 39 39 ILE N N 39 121.189 121.189 118.274 2.915 25037 3234 1 12 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.577 -0.147 25037 3235 1 12 . 1 1 39 39 ILE CA C 39 65.804 65.804 64.847 0.958 25037 3236 1 12 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.692 0.166 25037 3237 1 12 . 1 1 39 39 ILE H H 39 8.619 8.619 8.127 0.492 25037 3238 1 12 . 1 1 40 40 ASN N N 40 115.447 115.447 117.081 -1.634 25037 3239 1 12 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.573 0.075 25037 3240 1 12 . 1 1 40 40 ASN CB C 40 39.243 39.243 39.576 -0.333 25037 3241 1 12 . 1 1 40 40 ASN H H 40 7.547 7.547 8.155 -0.608 25037 3242 1 12 . 1 1 41 41 ASP N N 41 119.335 119.335 117.544 1.791 25037 3243 1 12 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.289 0.104 25037 3244 1 12 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.633 -1.101 25037 3245 1 12 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.462 0.119 25037 3246 1 12 . 1 1 41 41 ASP H H 41 7.933 7.933 7.792 0.141 25037 3247 1 12 . 1 1 42 42 LYS N N 42 117.025 117.025 116.245 0.780 25037 3248 1 12 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.501 0.019 25037 3249 1 12 . 1 1 42 42 LYS CB C 42 33.693 33.693 34.083 -0.390 25037 3250 1 12 . 1 1 42 42 LYS H H 42 8.418 8.418 8.611 -0.193 25037 3251 1 12 . 1 1 43 43 TYR N N 43 122.804 122.804 122.386 0.418 25037 3252 1 12 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.329 0.334 25037 3253 1 12 . 1 1 43 43 TYR CB C 43 38.132 38.132 39.056 -0.924 25037 3254 1 12 . 1 1 43 43 TYR H H 43 8.437 8.437 7.589 0.848 25037 3255 1 12 . 1 1 44 44 ASN CB C 44 38.647 38.647 38.883 -0.236 25037 3256 1 12 . 1 1 45 45 GLY CA C 45 45.034 45.034 45.576 -0.542 25037 3257 1 12 . 1 1 46 46 ASP CB C 46 40.065 40.065 39.599 0.466 25037 3258 1 12 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.590 -0.070 25037 3259 1 12 . 1 1 47 47 ASN CA C 47 54.705 54.705 56.888 -2.183 25037 3260 1 12 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.415 1.847 25037 3261 1 12 . 1 1 47 47 ASN H H 47 8.291 8.291 8.349 -0.058 25037 3262 1 12 . 1 1 48 48 GLU N N 48 121.849 121.849 119.237 2.612 25037 3263 1 12 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.002 0.125 25037 3264 1 12 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.117 0.935 25037 3265 1 12 . 1 1 48 48 GLU CB C 48 29.155 29.155 28.958 0.197 25037 3266 1 12 . 1 1 48 48 GLU H H 48 8.695 8.695 8.713 -0.018 25037 3267 1 12 . 1 1 49 49 ARG N N 49 120.467 120.467 121.153 -0.686 25037 3268 1 12 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.017 0.088 25037 3269 1 12 . 1 1 49 49 ARG CA C 49 59.130 59.130 58.860 0.270 25037 3270 1 12 . 1 1 49 49 ARG CB C 49 30.078 30.078 29.650 0.428 25037 3271 1 12 . 1 1 49 49 ARG H H 49 7.958 7.958 7.579 0.379 25037 3272 1 12 . 1 1 50 50 VAL N N 50 119.496 119.496 118.727 0.769 25037 3273 1 12 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.288 0.074 25037 3274 1 12 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.426 0.582 25037 3275 1 12 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.038 0.721 25037 3276 1 12 . 1 1 50 50 VAL H H 50 7.767 7.767 7.599 0.168 25037 3277 1 12 . 1 1 51 51 SER N N 51 114.856 114.856 114.699 0.157 25037 3278 1 12 . 1 1 51 51 SER HA H 51 3.665 3.665 3.459 0.206 25037 3279 1 12 . 1 1 51 51 SER CA C 51 62.288 62.288 61.621 0.667 25037 3280 1 12 . 1 1 51 51 SER CB C 51 62.823 62.823 63.026 -0.203 25037 3281 1 12 . 1 1 51 51 SER H H 51 8.296 8.296 8.076 0.220 25037 3282 1 12 . 1 1 52 52 GLN N N 52 120.482 120.482 119.598 0.884 25037 3283 1 12 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.070 0.097 25037 3284 1 12 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.114 1.065 25037 3285 1 12 . 1 1 52 52 GLN CB C 52 28.441 28.441 27.979 0.462 25037 3286 1 12 . 1 1 52 52 GLN H H 52 8.012 8.012 8.532 -0.520 25037 3287 1 12 . 1 1 53 53 THR N N 53 117.745 117.745 117.347 0.398 25037 3288 1 12 . 1 1 53 53 THR HA H 53 3.981 3.981 4.036 -0.055 25037 3289 1 12 . 1 1 53 53 THR CA C 53 67.070 67.070 66.455 0.615 25037 3290 1 12 . 1 1 53 53 THR CB C 53 68.860 68.860 68.598 0.262 25037 3291 1 12 . 1 1 53 53 THR H H 53 7.960 7.960 7.785 0.175 25037 3292 1 12 . 1 1 54 54 LEU N N 54 122.166 122.166 121.836 0.330 25037 3293 1 12 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.906 0.428 25037 3294 1 12 . 1 1 54 54 LEU CA C 54 57.483 57.483 57.966 -0.483 25037 3295 1 12 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.249 -0.169 25037 3296 1 12 . 1 1 54 54 LEU H H 54 8.376 8.376 7.867 0.509 25037 3297 1 12 . 1 1 55 55 GLN N N 55 122.381 122.381 119.324 3.057 25037 3298 1 12 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.950 0.110 25037 3299 1 12 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.402 0.025 25037 3300 1 12 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.400 -0.852 25037 3301 1 12 . 1 1 55 55 GLN H H 55 9.086 9.086 8.471 0.615 25037 3302 1 12 . 1 1 56 56 ARG N N 56 117.595 117.595 118.238 -0.643 25037 3303 1 12 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.150 0.029 25037 3304 1 12 . 1 1 56 56 ARG CA C 56 57.448 57.448 58.283 -0.835 25037 3305 1 12 . 1 1 56 56 ARG CB C 56 30.192 30.192 29.504 0.688 25037 3306 1 12 . 1 1 56 56 ARG H H 56 7.690 7.690 7.610 0.080 25037 3307 1 12 . 1 1 57 57 TRP N N 57 120.743 120.743 121.886 -1.143 25037 3308 1 12 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.422 -0.326 25037 3309 1 12 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.013 -2.157 25037 3310 1 12 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.374 -0.817 25037 3311 1 12 . 1 1 57 57 TRP H H 57 7.754 7.754 7.549 0.205 25037 3312 1 12 . 1 1 58 58 LEU N N 58 121.472 121.472 119.773 1.699 25037 3313 1 12 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.866 -0.186 25037 3314 1 12 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.435 -0.258 25037 3315 1 12 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.821 1.126 25037 3316 1 12 . 1 1 58 58 LEU H H 58 8.699 8.699 9.108 -0.409 25037 3317 1 12 . 1 1 59 59 GLU N N 59 117.216 117.216 119.693 -2.477 25037 3318 1 12 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.942 0.015 25037 3319 1 12 . 1 1 59 59 GLU CA C 59 58.835 58.835 60.095 -1.260 25037 3320 1 12 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.483 0.341 25037 3321 1 12 . 1 1 59 59 GLU H H 59 8.301 8.301 8.361 -0.060 25037 3322 1 12 . 1 1 60 60 LYS N N 60 118.414 118.414 118.537 -0.123 25037 3323 1 12 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.024 -0.001 25037 3324 1 12 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.417 -0.533 25037 3325 1 12 . 1 1 60 60 LYS CB C 60 32.425 32.425 31.765 0.660 25037 3326 1 12 . 1 1 60 60 LYS H H 60 7.499 7.499 7.619 -0.120 25037 3327 1 12 . 1 1 61 61 TYR N N 61 120.082 120.082 119.111 0.971 25037 3328 1 12 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.968 -0.219 25037 3329 1 12 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.504 -1.454 25037 3330 1 12 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.602 0.028 25037 3331 1 12 . 1 1 61 61 TYR H H 61 7.852 7.852 7.660 0.192 25037 3332 1 12 . 1 1 62 62 HIS N N 62 117.180 117.180 114.306 2.874 25037 3333 1 12 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.429 0.073 25037 3334 1 12 . 1 1 62 62 HIS CA C 62 55.698 55.698 57.699 -2.001 25037 3335 1 12 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.788 -0.553 25037 3336 1 12 . 1 1 62 62 HIS H H 62 7.600 7.600 8.653 -1.053 25037 3337 1 13 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.660 -0.104 25037 3338 1 13 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.760 0.439 25037 3339 1 13 . 1 1 0 0 PRO CB C 0 32.310 32.310 33.135 -0.825 25037 3340 1 13 . 1 1 1 1 MET N N 1 122.140 122.140 116.927 5.213 25037 3341 1 13 . 1 1 1 1 MET HA H 1 4.507 4.507 4.707 -0.200 25037 3342 1 13 . 1 1 1 1 MET CB C 1 34.854 34.854 34.800 0.054 25037 3343 1 13 . 1 1 1 1 MET H H 1 8.665 8.665 8.086 0.579 25037 3344 1 13 . 1 1 2 2 ASN N N 2 121.514 121.514 116.555 4.959 25037 3345 1 13 . 1 1 2 2 ASN HA H 2 4.807 4.807 5.011 -0.204 25037 3346 1 13 . 1 1 2 2 ASN CB C 2 39.205 39.205 40.376 -1.171 25037 3347 1 13 . 1 1 2 2 ASN H H 2 8.927 8.927 8.227 0.700 25037 3348 1 13 . 1 1 3 3 ILE N N 3 123.748 123.748 119.256 4.492 25037 3349 1 13 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.867 0.092 25037 3350 1 13 . 1 1 3 3 ILE CA C 3 65.293 65.293 65.252 0.041 25037 3351 1 13 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.974 0.130 25037 3352 1 13 . 1 1 3 3 ILE H H 3 8.721 8.721 8.863 -0.142 25037 3353 1 13 . 1 1 4 4 SER N N 4 115.783 115.783 114.791 0.992 25037 3354 1 13 . 1 1 4 4 SER HA H 4 4.147 4.147 4.041 0.106 25037 3355 1 13 . 1 1 4 4 SER CA C 4 61.528 61.528 62.214 -0.686 25037 3356 1 13 . 1 1 4 4 SER CB C 4 62.284 62.284 62.678 -0.394 25037 3357 1 13 . 1 1 4 4 SER H H 4 8.386 8.386 8.618 -0.232 25037 3358 1 13 . 1 1 5 5 ASP N N 5 122.493 122.493 122.651 -0.158 25037 3359 1 13 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.482 0.141 25037 3360 1 13 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.572 0.270 25037 3361 1 13 . 1 1 5 5 ASP H H 5 7.855 7.855 7.893 -0.038 25037 3362 1 13 . 1 1 6 6 ILE N N 6 123.982 123.982 120.578 3.404 25037 3363 1 13 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.768 0.029 25037 3364 1 13 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.666 -0.894 25037 3365 1 13 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.134 0.190 25037 3366 1 13 . 1 1 6 6 ILE H H 6 8.048 8.048 8.253 -0.205 25037 3367 1 13 . 1 1 7 7 ARG N N 7 118.105 118.105 119.678 -1.573 25037 3368 1 13 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.158 -0.341 25037 3369 1 13 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.424 0.308 25037 3370 1 13 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.398 0.648 25037 3371 1 13 . 1 1 7 7 ARG H H 7 8.285 8.285 8.468 -0.183 25037 3372 1 13 . 1 1 8 8 ALA N N 8 118.807 118.807 121.425 -2.618 25037 3373 1 13 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.125 -0.002 25037 3374 1 13 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.839 0.254 25037 3375 1 13 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.025 0.528 25037 3376 1 13 . 1 1 8 8 ALA H H 8 8.093 8.093 7.927 0.166 25037 3377 1 13 . 1 1 9 9 GLY N N 9 107.079 107.079 106.870 0.209 25037 3378 1 13 . 1 1 9 9 GLY CA C 9 47.084 47.084 46.758 0.327 25037 3379 1 13 . 1 1 9 9 GLY H H 9 8.358 8.358 7.769 0.589 25037 3380 1 13 . 1 1 10 10 LEU N N 10 121.077 121.077 122.018 -0.941 25037 3381 1 13 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.024 0.106 25037 3382 1 13 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.544 0.436 25037 3383 1 13 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.496 1.156 25037 3384 1 13 . 1 1 10 10 LEU H H 10 8.116 8.116 7.660 0.456 25037 3385 1 13 . 1 1 11 11 ARG N N 11 118.227 118.227 118.266 -0.039 25037 3386 1 13 . 1 1 11 11 ARG HA H 11 3.803 3.803 4.041 -0.238 25037 3387 1 13 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.383 1.042 25037 3388 1 13 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.306 1.015 25037 3389 1 13 . 1 1 11 11 ARG H H 11 8.472 8.472 7.994 0.478 25037 3390 1 13 . 1 1 12 12 THR N N 12 114.121 114.121 116.810 -2.689 25037 3391 1 13 . 1 1 12 12 THR HA H 12 3.965 3.965 4.060 -0.095 25037 3392 1 13 . 1 1 12 12 THR CA C 12 66.730 66.730 65.984 0.746 25037 3393 1 13 . 1 1 12 12 THR CB C 12 69.178 69.178 68.536 0.642 25037 3394 1 13 . 1 1 12 12 THR H H 12 8.180 8.180 7.675 0.505 25037 3395 1 13 . 1 1 13 13 LEU N N 13 119.606 119.606 121.237 -1.631 25037 3396 1 13 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.127 -0.027 25037 3397 1 13 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.119 -0.051 25037 3398 1 13 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.212 1.807 25037 3399 1 13 . 1 1 13 13 LEU H H 13 7.156 7.156 7.625 -0.469 25037 3400 1 13 . 1 1 14 14 VAL N N 14 117.777 117.777 113.236 4.541 25037 3401 1 13 . 1 1 14 14 VAL HA H 14 3.808 3.808 4.160 -0.352 25037 3402 1 13 . 1 1 14 14 VAL CA C 14 65.464 65.464 64.583 0.881 25037 3403 1 13 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.771 0.124 25037 3404 1 13 . 1 1 14 14 VAL H H 14 7.785 7.785 7.874 -0.089 25037 3405 1 13 . 1 1 15 15 GLU N N 15 123.041 123.041 121.113 1.928 25037 3406 1 13 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.149 -0.080 25037 3407 1 13 . 1 1 15 15 GLU CA C 15 57.624 57.624 58.934 -1.310 25037 3408 1 13 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.559 -0.363 25037 3409 1 13 . 1 1 15 15 GLU H H 15 8.961 8.961 8.118 0.843 25037 3410 1 13 . 1 1 16 16 ASN N N 16 114.935 114.935 115.351 -0.416 25037 3411 1 13 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.811 0.016 25037 3412 1 13 . 1 1 16 16 ASN CB C 16 38.526 38.526 38.958 -0.431 25037 3413 1 13 . 1 1 16 16 ASN H H 16 7.863 7.863 8.012 -0.149 25037 3414 1 13 . 1 1 17 17 GLU N N 17 113.841 113.841 115.572 -1.731 25037 3415 1 13 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.999 0.071 25037 3416 1 13 . 1 1 17 17 GLU CA C 17 57.624 57.624 57.671 -0.047 25037 3417 1 13 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.478 1.666 25037 3418 1 13 . 1 1 17 17 GLU H H 17 8.008 8.008 7.615 0.393 25037 3419 1 13 . 1 1 18 18 GLU N N 18 117.787 117.787 115.945 1.842 25037 3420 1 13 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.087 0.223 25037 3421 1 13 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.471 -0.219 25037 3422 1 13 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.355 0.022 25037 3423 1 13 . 1 1 18 18 GLU H H 18 8.517 8.517 8.114 0.403 25037 3424 1 13 . 1 1 19 19 THR N N 19 110.292 110.292 110.790 -0.498 25037 3425 1 13 . 1 1 19 19 THR HA H 19 4.562 4.562 4.556 0.006 25037 3426 1 13 . 1 1 19 19 THR CB C 19 68.196 68.196 70.397 -2.201 25037 3427 1 13 . 1 1 19 19 THR H H 19 7.457 7.457 7.408 0.049 25037 3428 1 13 . 1 1 20 20 THR N N 20 109.626 109.626 116.905 -7.279 25037 3429 1 13 . 1 1 20 20 THR HA H 20 4.633 4.633 4.398 0.235 25037 3430 1 13 . 1 1 20 20 THR H H 20 8.188 8.188 8.247 -0.059 25037 3431 1 13 . 1 1 21 21 PHE N N 21 118.935 118.935 123.486 -4.551 25037 3432 1 13 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.051 0.187 25037 3433 1 13 . 1 1 21 21 PHE CA C 21 60.267 60.267 61.936 -1.669 25037 3434 1 13 . 1 1 21 21 PHE CB C 21 37.796 37.796 37.994 -0.198 25037 3435 1 13 . 1 1 21 21 PHE H H 21 8.714 8.714 7.924 0.790 25037 3436 1 13 . 1 1 22 22 LYS N N 22 116.962 116.962 118.167 -1.205 25037 3437 1 13 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.884 -0.003 25037 3438 1 13 . 1 1 22 22 LYS CA C 22 59.589 59.589 60.271 -0.682 25037 3439 1 13 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.777 0.736 25037 3440 1 13 . 1 1 22 22 LYS H H 22 8.234 8.234 8.452 -0.218 25037 3441 1 13 . 1 1 23 23 GLN N N 23 121.042 121.042 119.117 1.925 25037 3442 1 13 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.150 -0.175 25037 3443 1 13 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.327 0.647 25037 3444 1 13 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.110 -0.170 25037 3445 1 13 . 1 1 23 23 GLN H H 23 7.859 7.859 7.683 0.176 25037 3446 1 13 . 1 1 24 24 ILE N N 24 118.125 118.125 120.126 -2.001 25037 3447 1 13 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.068 -0.226 25037 3448 1 13 . 1 1 24 24 ILE CA C 24 65.094 65.094 64.991 0.103 25037 3449 1 13 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.116 0.662 25037 3450 1 13 . 1 1 24 24 ILE H H 24 7.871 7.871 8.135 -0.264 25037 3451 1 13 . 1 1 25 25 ALA N N 25 125.380 125.380 123.631 1.749 25037 3452 1 13 . 1 1 25 25 ALA HA H 25 3.855 3.855 3.968 -0.113 25037 3453 1 13 . 1 1 25 25 ALA CA C 25 55.982 55.982 55.073 0.909 25037 3454 1 13 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.260 1.054 25037 3455 1 13 . 1 1 25 25 ALA H H 25 8.452 8.452 8.181 0.271 25037 3456 1 13 . 1 1 26 26 LEU N N 26 119.285 119.285 118.459 0.826 25037 3457 1 13 . 1 1 26 26 LEU HA H 26 4.041 4.041 4.014 0.027 25037 3458 1 13 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.874 0.102 25037 3459 1 13 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.943 0.394 25037 3460 1 13 . 1 1 26 26 LEU H H 26 7.936 7.936 7.932 0.004 25037 3461 1 13 . 1 1 27 27 GLU N N 27 115.748 115.748 116.903 -1.155 25037 3462 1 13 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.366 -0.157 25037 3463 1 13 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.433 -0.190 25037 3464 1 13 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.278 0.558 25037 3465 1 13 . 1 1 27 27 GLU H H 27 8.050 8.050 7.942 0.108 25037 3466 1 13 . 1 1 28 28 SER N N 28 113.421 113.421 112.438 0.983 25037 3467 1 13 . 1 1 28 28 SER HA H 28 4.597 4.597 4.310 0.287 25037 3468 1 13 . 1 1 28 28 SER CB C 28 65.743 65.743 64.432 1.311 25037 3469 1 13 . 1 1 28 28 SER H H 28 8.476 8.476 8.294 0.182 25037 3470 1 13 . 1 1 29 29 GLY N N 29 112.001 112.001 110.805 1.196 25037 3471 1 13 . 1 1 29 29 GLY CA C 29 45.893 45.893 44.943 0.950 25037 3472 1 13 . 1 1 29 29 GLY H H 29 8.074 8.074 8.090 -0.016 25037 3473 1 13 . 1 1 30 30 LEU N N 30 120.750 120.750 120.500 0.250 25037 3474 1 13 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.542 0.067 25037 3475 1 13 . 1 1 30 30 LEU CB C 30 44.177 44.177 43.131 1.046 25037 3476 1 13 . 1 1 30 30 LEU H H 30 7.545 7.545 7.527 0.018 25037 3477 1 13 . 1 1 31 31 SER N N 31 113.993 113.993 114.173 -0.180 25037 3478 1 13 . 1 1 31 31 SER HA H 31 4.568 4.568 4.547 0.021 25037 3479 1 13 . 1 1 31 31 SER CB C 31 64.928 64.928 64.230 0.698 25037 3480 1 13 . 1 1 31 31 SER H H 31 8.326 8.326 8.324 0.002 25037 3481 1 13 . 1 1 32 32 THR HA H 32 3.606 3.606 4.061 -0.455 25037 3482 1 13 . 1 1 32 32 THR CA C 32 66.547 66.547 64.827 1.720 25037 3483 1 13 . 1 1 32 32 THR CB C 32 67.740 67.740 68.617 -0.877 25037 3484 1 13 . 1 1 33 33 GLY CA C 33 46.761 46.761 46.965 -0.204 25037 3485 1 13 . 1 1 33 33 GLY H H 33 7.877 7.877 8.061 -0.184 25037 3486 1 13 . 1 1 34 34 THR N N 34 121.948 121.948 119.568 2.380 25037 3487 1 13 . 1 1 34 34 THR HA H 34 3.737 3.737 4.000 -0.263 25037 3488 1 13 . 1 1 34 34 THR CA C 34 66.578 66.578 66.818 -0.240 25037 3489 1 13 . 1 1 34 34 THR CB C 34 67.956 67.956 68.572 -0.616 25037 3490 1 13 . 1 1 34 34 THR H H 34 7.877 7.877 7.224 0.653 25037 3491 1 13 . 1 1 35 35 ILE N N 35 120.301 120.301 121.512 -1.211 25037 3492 1 13 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.458 -0.259 25037 3493 1 13 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.769 -0.255 25037 3494 1 13 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.388 0.481 25037 3495 1 13 . 1 1 35 35 ILE H H 35 7.750 7.750 7.879 -0.129 25037 3496 1 13 . 1 1 36 36 SER N N 36 113.120 113.120 114.734 -1.614 25037 3497 1 13 . 1 1 36 36 SER HA H 36 3.535 3.535 3.591 -0.056 25037 3498 1 13 . 1 1 36 36 SER CA C 36 61.365 61.365 61.544 -0.179 25037 3499 1 13 . 1 1 36 36 SER CB C 36 62.114 62.114 62.025 0.089 25037 3500 1 13 . 1 1 36 36 SER H H 36 8.322 8.322 7.669 0.653 25037 3501 1 13 . 1 1 37 37 SER N N 37 116.941 116.941 117.687 -0.746 25037 3502 1 13 . 1 1 37 37 SER HA H 37 4.196 4.196 4.241 -0.045 25037 3503 1 13 . 1 1 37 37 SER CA C 37 61.201 61.201 61.996 -0.795 25037 3504 1 13 . 1 1 37 37 SER CB C 37 63.821 63.821 63.131 0.690 25037 3505 1 13 . 1 1 37 37 SER H H 37 8.096 8.096 8.090 0.006 25037 3506 1 13 . 1 1 38 38 PHE N N 38 123.225 123.225 123.823 -0.598 25037 3507 1 13 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.134 0.220 25037 3508 1 13 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.692 0.207 25037 3509 1 13 . 1 1 38 38 PHE CB C 38 39.310 39.310 38.914 0.396 25037 3510 1 13 . 1 1 38 38 PHE H H 38 8.541 8.541 8.307 0.234 25037 3511 1 13 . 1 1 39 39 ILE N N 39 121.189 121.189 119.523 1.666 25037 3512 1 13 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.374 0.056 25037 3513 1 13 . 1 1 39 39 ILE CA C 39 65.804 65.804 65.381 0.423 25037 3514 1 13 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.520 0.338 25037 3515 1 13 . 1 1 39 39 ILE H H 39 8.619 8.619 8.218 0.401 25037 3516 1 13 . 1 1 40 40 ASN N N 40 115.447 115.447 116.314 -0.867 25037 3517 1 13 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.538 0.110 25037 3518 1 13 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.867 0.376 25037 3519 1 13 . 1 1 40 40 ASN H H 40 7.547 7.547 7.776 -0.229 25037 3520 1 13 . 1 1 41 41 ASP N N 41 119.335 119.335 116.933 2.402 25037 3521 1 13 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.255 0.138 25037 3522 1 13 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.539 -1.008 25037 3523 1 13 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.405 0.176 25037 3524 1 13 . 1 1 41 41 ASP H H 41 7.933 7.933 7.906 0.027 25037 3525 1 13 . 1 1 42 42 LYS N N 42 117.025 117.025 115.636 1.389 25037 3526 1 13 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.314 0.206 25037 3527 1 13 . 1 1 42 42 LYS CB C 42 33.693 33.693 33.328 0.365 25037 3528 1 13 . 1 1 42 42 LYS H H 42 8.418 8.418 7.997 0.421 25037 3529 1 13 . 1 1 43 43 TYR N N 43 122.804 122.804 120.737 2.067 25037 3530 1 13 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.297 0.366 25037 3531 1 13 . 1 1 43 43 TYR CB C 43 38.132 38.132 39.240 -1.109 25037 3532 1 13 . 1 1 43 43 TYR H H 43 8.437 8.437 7.682 0.755 25037 3533 1 13 . 1 1 44 44 ASN CB C 44 38.647 38.647 38.836 -0.189 25037 3534 1 13 . 1 1 45 45 GLY CA C 45 45.034 45.034 44.805 0.229 25037 3535 1 13 . 1 1 46 46 ASP CB C 46 40.065 40.065 40.141 -0.076 25037 3536 1 13 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.565 -0.045 25037 3537 1 13 . 1 1 47 47 ASN CA C 47 54.705 54.705 55.801 -1.096 25037 3538 1 13 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.443 1.819 25037 3539 1 13 . 1 1 47 47 ASN H H 47 8.291 8.291 8.767 -0.476 25037 3540 1 13 . 1 1 48 48 GLU N N 48 121.849 121.849 120.507 1.342 25037 3541 1 13 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.051 0.076 25037 3542 1 13 . 1 1 48 48 GLU CA C 48 60.052 60.052 60.025 0.027 25037 3543 1 13 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.105 0.050 25037 3544 1 13 . 1 1 48 48 GLU H H 48 8.695 8.695 8.925 -0.230 25037 3545 1 13 . 1 1 49 49 ARG N N 49 120.467 120.467 119.639 0.828 25037 3546 1 13 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.083 0.022 25037 3547 1 13 . 1 1 49 49 ARG CA C 49 59.130 59.130 59.745 -0.614 25037 3548 1 13 . 1 1 49 49 ARG CB C 49 30.078 30.078 30.100 -0.022 25037 3549 1 13 . 1 1 49 49 ARG H H 49 7.958 7.958 7.836 0.122 25037 3550 1 13 . 1 1 50 50 VAL N N 50 119.496 119.496 117.829 1.667 25037 3551 1 13 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.534 -0.172 25037 3552 1 13 . 1 1 50 50 VAL CA C 50 67.008 67.008 65.909 1.099 25037 3553 1 13 . 1 1 50 50 VAL CB C 50 31.759 31.759 30.857 0.902 25037 3554 1 13 . 1 1 50 50 VAL H H 50 7.767 7.767 7.266 0.501 25037 3555 1 13 . 1 1 51 51 SER N N 51 114.856 114.856 115.639 -0.783 25037 3556 1 13 . 1 1 51 51 SER HA H 51 3.665 3.665 3.673 -0.008 25037 3557 1 13 . 1 1 51 51 SER CA C 51 62.288 62.288 61.675 0.613 25037 3558 1 13 . 1 1 51 51 SER CB C 51 62.823 62.823 62.809 0.014 25037 3559 1 13 . 1 1 51 51 SER H H 51 8.296 8.296 8.401 -0.105 25037 3560 1 13 . 1 1 52 52 GLN N N 52 120.482 120.482 120.599 -0.117 25037 3561 1 13 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.085 0.082 25037 3562 1 13 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.822 0.357 25037 3563 1 13 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.404 0.037 25037 3564 1 13 . 1 1 52 52 GLN H H 52 8.012 8.012 8.396 -0.384 25037 3565 1 13 . 1 1 53 53 THR N N 53 117.745 117.745 116.823 0.922 25037 3566 1 13 . 1 1 53 53 THR HA H 53 3.981 3.981 4.107 -0.126 25037 3567 1 13 . 1 1 53 53 THR CA C 53 67.070 67.070 66.500 0.570 25037 3568 1 13 . 1 1 53 53 THR CB C 53 68.860 68.860 68.509 0.351 25037 3569 1 13 . 1 1 53 53 THR H H 53 7.960 7.960 7.483 0.477 25037 3570 1 13 . 1 1 54 54 LEU N N 54 122.166 122.166 121.802 0.364 25037 3571 1 13 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.878 0.456 25037 3572 1 13 . 1 1 54 54 LEU CA C 54 57.483 57.483 58.130 -0.647 25037 3573 1 13 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.130 -0.050 25037 3574 1 13 . 1 1 54 54 LEU H H 54 8.376 8.376 7.969 0.407 25037 3575 1 13 . 1 1 55 55 GLN N N 55 122.381 122.381 118.494 3.887 25037 3576 1 13 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.938 0.122 25037 3577 1 13 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.686 -0.259 25037 3578 1 13 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.247 -0.699 25037 3579 1 13 . 1 1 55 55 GLN H H 55 9.086 9.086 8.612 0.474 25037 3580 1 13 . 1 1 56 56 ARG N N 56 117.595 117.595 118.460 -0.865 25037 3581 1 13 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.266 -0.087 25037 3582 1 13 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.580 -2.131 25037 3583 1 13 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.072 0.120 25037 3584 1 13 . 1 1 56 56 ARG H H 56 7.690 7.690 7.667 0.023 25037 3585 1 13 . 1 1 57 57 TRP N N 57 120.743 120.743 122.396 -1.653 25037 3586 1 13 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.489 -0.393 25037 3587 1 13 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.603 -2.747 25037 3588 1 13 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.277 -0.720 25037 3589 1 13 . 1 1 57 57 TRP H H 57 7.754 7.754 7.505 0.248 25037 3590 1 13 . 1 1 58 58 LEU N N 58 121.472 121.472 120.076 1.396 25037 3591 1 13 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.665 0.015 25037 3592 1 13 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.478 -0.300 25037 3593 1 13 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.914 1.033 25037 3594 1 13 . 1 1 58 58 LEU H H 58 8.699 8.699 9.060 -0.361 25037 3595 1 13 . 1 1 59 59 GLU N N 59 117.216 117.216 118.842 -1.626 25037 3596 1 13 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.893 0.064 25037 3597 1 13 . 1 1 59 59 GLU CA C 59 58.835 58.835 60.025 -1.190 25037 3598 1 13 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.605 0.219 25037 3599 1 13 . 1 1 59 59 GLU H H 59 8.301 8.301 8.790 -0.489 25037 3600 1 13 . 1 1 60 60 LYS N N 60 118.414 118.414 117.011 1.403 25037 3601 1 13 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.064 -0.041 25037 3602 1 13 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.379 -0.495 25037 3603 1 13 . 1 1 60 60 LYS CB C 60 32.425 32.425 32.104 0.321 25037 3604 1 13 . 1 1 60 60 LYS H H 60 7.499 7.499 7.314 0.185 25037 3605 1 13 . 1 1 61 61 TYR N N 61 120.082 120.082 119.585 0.497 25037 3606 1 13 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.931 -0.182 25037 3607 1 13 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.584 -1.534 25037 3608 1 13 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.409 0.221 25037 3609 1 13 . 1 1 61 61 TYR H H 61 7.852 7.852 7.656 0.196 25037 3610 1 13 . 1 1 62 62 HIS N N 62 117.180 117.180 114.843 2.337 25037 3611 1 13 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.568 -0.066 25037 3612 1 13 . 1 1 62 62 HIS CA C 62 55.698 55.698 57.274 -1.576 25037 3613 1 13 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.386 -0.151 25037 3614 1 13 . 1 1 62 62 HIS H H 62 7.600 7.600 8.164 -0.564 25037 3615 1 14 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.603 -0.047 25037 3616 1 14 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.702 0.497 25037 3617 1 14 . 1 1 0 0 PRO CB C 0 32.310 32.310 32.380 -0.070 25037 3618 1 14 . 1 1 1 1 MET N N 1 122.140 122.140 121.200 0.940 25037 3619 1 14 . 1 1 1 1 MET HA H 1 4.507 4.507 4.579 -0.072 25037 3620 1 14 . 1 1 1 1 MET CB C 1 34.854 34.854 33.324 1.530 25037 3621 1 14 . 1 1 1 1 MET H H 1 8.665 8.665 8.305 0.360 25037 3622 1 14 . 1 1 2 2 ASN N N 2 121.514 121.514 120.521 0.993 25037 3623 1 14 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.927 -0.120 25037 3624 1 14 . 1 1 2 2 ASN CB C 2 39.205 39.205 41.086 -1.881 25037 3625 1 14 . 1 1 2 2 ASN H H 2 8.927 8.927 8.658 0.269 25037 3626 1 14 . 1 1 3 3 ILE N N 3 123.748 123.748 122.072 1.676 25037 3627 1 14 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.905 0.054 25037 3628 1 14 . 1 1 3 3 ILE CA C 3 65.293 65.293 64.813 0.480 25037 3629 1 14 . 1 1 3 3 ILE CB C 3 38.104 38.104 36.558 1.546 25037 3630 1 14 . 1 1 3 3 ILE H H 3 8.721 8.721 8.690 0.031 25037 3631 1 14 . 1 1 4 4 SER N N 4 115.783 115.783 113.375 2.408 25037 3632 1 14 . 1 1 4 4 SER HA H 4 4.147 4.147 4.150 -0.003 25037 3633 1 14 . 1 1 4 4 SER CA C 4 61.528 61.528 61.748 -0.221 25037 3634 1 14 . 1 1 4 4 SER CB C 4 62.284 62.284 62.417 -0.133 25037 3635 1 14 . 1 1 4 4 SER H H 4 8.386 8.386 8.483 -0.097 25037 3636 1 14 . 1 1 5 5 ASP N N 5 122.493 122.493 123.333 -0.840 25037 3637 1 14 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.604 0.019 25037 3638 1 14 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.962 -0.120 25037 3639 1 14 . 1 1 5 5 ASP H H 5 7.855 7.855 7.746 0.109 25037 3640 1 14 . 1 1 6 6 ILE N N 6 123.982 123.982 120.429 3.553 25037 3641 1 14 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.721 0.076 25037 3642 1 14 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.716 -0.944 25037 3643 1 14 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.064 0.260 25037 3644 1 14 . 1 1 6 6 ILE H H 6 8.048 8.048 8.148 -0.100 25037 3645 1 14 . 1 1 7 7 ARG N N 7 118.105 118.105 119.361 -1.256 25037 3646 1 14 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.202 -0.385 25037 3647 1 14 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.430 0.302 25037 3648 1 14 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.569 0.478 25037 3649 1 14 . 1 1 7 7 ARG H H 7 8.285 8.285 8.512 -0.227 25037 3650 1 14 . 1 1 8 8 ALA N N 8 118.807 118.807 121.562 -2.755 25037 3651 1 14 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.158 -0.035 25037 3652 1 14 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.791 0.302 25037 3653 1 14 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.095 0.458 25037 3654 1 14 . 1 1 8 8 ALA H H 8 8.093 8.093 7.571 0.522 25037 3655 1 14 . 1 1 9 9 GLY N N 9 107.079 107.079 107.065 0.014 25037 3656 1 14 . 1 1 9 9 GLY CA C 9 47.084 47.084 46.946 0.138 25037 3657 1 14 . 1 1 9 9 GLY H H 9 8.358 8.358 8.120 0.238 25037 3658 1 14 . 1 1 10 10 LEU N N 10 121.077 121.077 120.121 0.956 25037 3659 1 14 . 1 1 10 10 LEU HA H 10 4.130 4.130 4.010 0.120 25037 3660 1 14 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.278 0.701 25037 3661 1 14 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.470 1.182 25037 3662 1 14 . 1 1 10 10 LEU H H 10 8.116 8.116 7.506 0.610 25037 3663 1 14 . 1 1 11 11 ARG N N 11 118.227 118.227 118.863 -0.636 25037 3664 1 14 . 1 1 11 11 ARG HA H 11 3.803 3.803 3.997 -0.194 25037 3665 1 14 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.733 0.693 25037 3666 1 14 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.860 0.461 25037 3667 1 14 . 1 1 11 11 ARG H H 11 8.472 8.472 7.394 1.078 25037 3668 1 14 . 1 1 12 12 THR N N 12 114.121 114.121 116.611 -2.490 25037 3669 1 14 . 1 1 12 12 THR HA H 12 3.965 3.965 4.012 -0.047 25037 3670 1 14 . 1 1 12 12 THR CA C 12 66.730 66.730 66.757 -0.027 25037 3671 1 14 . 1 1 12 12 THR CB C 12 69.178 69.178 68.335 0.843 25037 3672 1 14 . 1 1 12 12 THR H H 12 8.180 8.180 7.666 0.514 25037 3673 1 14 . 1 1 13 13 LEU N N 13 119.606 119.606 120.508 -0.902 25037 3674 1 14 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.116 -0.016 25037 3675 1 14 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.147 -0.079 25037 3676 1 14 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.099 1.920 25037 3677 1 14 . 1 1 13 13 LEU H H 13 7.156 7.156 7.540 -0.384 25037 3678 1 14 . 1 1 14 14 VAL N N 14 117.777 117.777 115.631 2.146 25037 3679 1 14 . 1 1 14 14 VAL HA H 14 3.808 3.808 3.837 -0.029 25037 3680 1 14 . 1 1 14 14 VAL CA C 14 65.464 65.464 65.388 0.076 25037 3681 1 14 . 1 1 14 14 VAL CB C 14 31.895 31.895 30.631 1.264 25037 3682 1 14 . 1 1 14 14 VAL H H 14 7.785 7.785 7.608 0.177 25037 3683 1 14 . 1 1 15 15 GLU N N 15 123.041 123.041 121.715 1.326 25037 3684 1 14 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.094 -0.025 25037 3685 1 14 . 1 1 15 15 GLU CA C 15 57.624 57.624 59.205 -1.581 25037 3686 1 14 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.296 -0.100 25037 3687 1 14 . 1 1 15 15 GLU H H 15 8.961 8.961 8.800 0.161 25037 3688 1 14 . 1 1 16 16 ASN N N 16 114.935 114.935 114.685 0.250 25037 3689 1 14 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.898 -0.071 25037 3690 1 14 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.005 -0.479 25037 3691 1 14 . 1 1 16 16 ASN H H 16 7.863 7.863 7.655 0.208 25037 3692 1 14 . 1 1 17 17 GLU N N 17 113.841 113.841 115.915 -2.074 25037 3693 1 14 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.992 0.078 25037 3694 1 14 . 1 1 17 17 GLU CA C 17 57.624 57.624 57.955 -0.331 25037 3695 1 14 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.660 1.484 25037 3696 1 14 . 1 1 17 17 GLU H H 17 8.008 8.008 8.162 -0.154 25037 3697 1 14 . 1 1 18 18 GLU N N 18 117.787 117.787 116.597 1.190 25037 3698 1 14 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.152 0.158 25037 3699 1 14 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.951 -0.698 25037 3700 1 14 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.265 0.112 25037 3701 1 14 . 1 1 18 18 GLU H H 18 8.517 8.517 8.058 0.459 25037 3702 1 14 . 1 1 19 19 THR N N 19 110.292 110.292 112.142 -1.850 25037 3703 1 14 . 1 1 19 19 THR HA H 19 4.562 4.562 4.593 -0.031 25037 3704 1 14 . 1 1 19 19 THR CB C 19 68.196 68.196 70.312 -2.116 25037 3705 1 14 . 1 1 19 19 THR H H 19 7.457 7.457 7.472 -0.015 25037 3706 1 14 . 1 1 20 20 THR N N 20 109.626 109.626 116.752 -7.126 25037 3707 1 14 . 1 1 20 20 THR HA H 20 4.633 4.633 4.542 0.091 25037 3708 1 14 . 1 1 20 20 THR H H 20 8.188 8.188 8.268 -0.080 25037 3709 1 14 . 1 1 21 21 PHE N N 21 118.935 118.935 122.002 -3.067 25037 3710 1 14 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.033 0.205 25037 3711 1 14 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.587 -2.320 25037 3712 1 14 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.791 -0.995 25037 3713 1 14 . 1 1 21 21 PHE H H 21 8.714 8.714 8.914 -0.200 25037 3714 1 14 . 1 1 22 22 LYS N N 22 116.962 116.962 119.072 -2.110 25037 3715 1 14 . 1 1 22 22 LYS HA H 22 3.881 3.881 4.076 -0.195 25037 3716 1 14 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.286 0.303 25037 3717 1 14 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.672 0.841 25037 3718 1 14 . 1 1 22 22 LYS H H 22 8.234 8.234 8.202 0.032 25037 3719 1 14 . 1 1 23 23 GLN N N 23 121.042 121.042 119.497 1.545 25037 3720 1 14 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.122 -0.147 25037 3721 1 14 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.504 0.470 25037 3722 1 14 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.135 -0.195 25037 3723 1 14 . 1 1 23 23 GLN H H 23 7.859 7.859 7.493 0.366 25037 3724 1 14 . 1 1 24 24 ILE N N 24 118.125 118.125 119.433 -1.308 25037 3725 1 14 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.346 -0.504 25037 3726 1 14 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.095 -0.001 25037 3727 1 14 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.056 0.723 25037 3728 1 14 . 1 1 24 24 ILE H H 24 7.871 7.871 8.293 -0.422 25037 3729 1 14 . 1 1 25 25 ALA N N 25 125.380 125.380 123.540 1.840 25037 3730 1 14 . 1 1 25 25 ALA HA H 25 3.855 3.855 4.025 -0.170 25037 3731 1 14 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.831 1.151 25037 3732 1 14 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.553 0.761 25037 3733 1 14 . 1 1 25 25 ALA H H 25 8.452 8.452 7.476 0.976 25037 3734 1 14 . 1 1 26 26 LEU N N 26 119.285 119.285 119.095 0.190 25037 3735 1 14 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.990 0.051 25037 3736 1 14 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.941 0.035 25037 3737 1 14 . 1 1 26 26 LEU CB C 26 42.337 42.337 40.911 1.426 25037 3738 1 14 . 1 1 26 26 LEU H H 26 7.936 7.936 8.203 -0.267 25037 3739 1 14 . 1 1 27 27 GLU N N 27 115.748 115.748 117.261 -1.513 25037 3740 1 14 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.237 -0.028 25037 3741 1 14 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.851 -0.608 25037 3742 1 14 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.302 0.534 25037 3743 1 14 . 1 1 27 27 GLU H H 27 8.050 8.050 8.524 -0.474 25037 3744 1 14 . 1 1 28 28 SER N N 28 113.421 113.421 112.166 1.255 25037 3745 1 14 . 1 1 28 28 SER HA H 28 4.597 4.597 4.397 0.200 25037 3746 1 14 . 1 1 28 28 SER CB C 28 65.743 65.743 64.494 1.249 25037 3747 1 14 . 1 1 28 28 SER H H 28 8.476 8.476 8.057 0.419 25037 3748 1 14 . 1 1 29 29 GLY N N 29 112.001 112.001 110.744 1.257 25037 3749 1 14 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.334 0.559 25037 3750 1 14 . 1 1 29 29 GLY H H 29 8.074 8.074 8.309 -0.235 25037 3751 1 14 . 1 1 30 30 LEU N N 30 120.750 120.750 120.451 0.299 25037 3752 1 14 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.365 0.244 25037 3753 1 14 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.707 1.470 25037 3754 1 14 . 1 1 30 30 LEU H H 30 7.545 7.545 7.319 0.226 25037 3755 1 14 . 1 1 31 31 SER N N 31 113.993 113.993 115.290 -1.297 25037 3756 1 14 . 1 1 31 31 SER HA H 31 4.568 4.568 4.544 0.024 25037 3757 1 14 . 1 1 31 31 SER CB C 31 64.928 64.928 65.506 -0.578 25037 3758 1 14 . 1 1 31 31 SER H H 31 8.326 8.326 8.240 0.086 25037 3759 1 14 . 1 1 32 32 THR HA H 32 3.606 3.606 4.145 -0.539 25037 3760 1 14 . 1 1 32 32 THR CA C 32 66.547 66.547 65.553 0.994 25037 3761 1 14 . 1 1 32 32 THR CB C 32 67.740 67.740 68.393 -0.653 25037 3762 1 14 . 1 1 33 33 GLY CA C 33 46.761 46.761 47.221 -0.460 25037 3763 1 14 . 1 1 33 33 GLY H H 33 7.877 7.877 8.472 -0.595 25037 3764 1 14 . 1 1 34 34 THR N N 34 121.948 121.948 119.736 2.212 25037 3765 1 14 . 1 1 34 34 THR HA H 34 3.737 3.737 3.572 0.165 25037 3766 1 14 . 1 1 34 34 THR CA C 34 66.578 66.578 66.733 -0.155 25037 3767 1 14 . 1 1 34 34 THR CB C 34 67.956 67.956 68.458 -0.502 25037 3768 1 14 . 1 1 34 34 THR H H 34 7.877 7.877 7.587 0.290 25037 3769 1 14 . 1 1 35 35 ILE N N 35 120.301 120.301 121.488 -1.187 25037 3770 1 14 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.499 -0.300 25037 3771 1 14 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.535 -0.021 25037 3772 1 14 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.730 0.139 25037 3773 1 14 . 1 1 35 35 ILE H H 35 7.750 7.750 7.426 0.324 25037 3774 1 14 . 1 1 36 36 SER N N 36 113.120 113.120 114.612 -1.492 25037 3775 1 14 . 1 1 36 36 SER HA H 36 3.535 3.535 4.051 -0.516 25037 3776 1 14 . 1 1 36 36 SER CA C 36 61.365 61.365 61.850 -0.485 25037 3777 1 14 . 1 1 36 36 SER CB C 36 62.114 62.114 62.187 -0.073 25037 3778 1 14 . 1 1 36 36 SER H H 36 8.322 8.322 7.868 0.454 25037 3779 1 14 . 1 1 37 37 SER N N 37 116.941 116.941 118.123 -1.182 25037 3780 1 14 . 1 1 37 37 SER HA H 37 4.196 4.196 4.251 -0.055 25037 3781 1 14 . 1 1 37 37 SER CA C 37 61.201 61.201 61.047 0.154 25037 3782 1 14 . 1 1 37 37 SER CB C 37 63.821 63.821 63.192 0.629 25037 3783 1 14 . 1 1 37 37 SER H H 37 8.096 8.096 8.216 -0.120 25037 3784 1 14 . 1 1 38 38 PHE N N 38 123.225 123.225 123.573 -0.348 25037 3785 1 14 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.309 0.045 25037 3786 1 14 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.742 0.157 25037 3787 1 14 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.267 0.042 25037 3788 1 14 . 1 1 38 38 PHE H H 38 8.541 8.541 8.589 -0.048 25037 3789 1 14 . 1 1 39 39 ILE N N 39 121.189 121.189 119.731 1.458 25037 3790 1 14 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.574 -0.144 25037 3791 1 14 . 1 1 39 39 ILE CA C 39 65.804 65.804 65.080 0.724 25037 3792 1 14 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.822 0.036 25037 3793 1 14 . 1 1 39 39 ILE H H 39 8.619 8.619 8.551 0.068 25037 3794 1 14 . 1 1 40 40 ASN N N 40 115.447 115.447 115.580 -0.133 25037 3795 1 14 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.646 0.002 25037 3796 1 14 . 1 1 40 40 ASN CB C 40 39.243 39.243 37.834 1.409 25037 3797 1 14 . 1 1 40 40 ASN H H 40 7.547 7.547 8.059 -0.512 25037 3798 1 14 . 1 1 41 41 ASP N N 41 119.335 119.335 114.773 4.562 25037 3799 1 14 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.228 0.165 25037 3800 1 14 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.969 -1.438 25037 3801 1 14 . 1 1 41 41 ASP CB C 41 39.581 39.581 38.751 0.830 25037 3802 1 14 . 1 1 41 41 ASP H H 41 7.933 7.933 7.977 -0.044 25037 3803 1 14 . 1 1 42 42 LYS N N 42 117.025 117.025 115.123 1.902 25037 3804 1 14 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.168 0.352 25037 3805 1 14 . 1 1 42 42 LYS CB C 42 33.693 33.693 32.652 1.041 25037 3806 1 14 . 1 1 42 42 LYS H H 42 8.418 8.418 7.806 0.612 25037 3807 1 14 . 1 1 43 43 TYR N N 43 122.804 122.804 122.907 -0.103 25037 3808 1 14 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.307 0.356 25037 3809 1 14 . 1 1 43 43 TYR CB C 43 38.132 38.132 37.257 0.875 25037 3810 1 14 . 1 1 43 43 TYR H H 43 8.437 8.437 7.644 0.793 25037 3811 1 14 . 1 1 44 44 ASN CB C 44 38.647 38.647 37.108 1.539 25037 3812 1 14 . 1 1 45 45 GLY CA C 45 45.034 45.034 45.044 -0.010 25037 3813 1 14 . 1 1 46 46 ASP CB C 46 40.065 40.065 39.192 0.873 25037 3814 1 14 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.623 -0.103 25037 3815 1 14 . 1 1 47 47 ASN CA C 47 54.705 54.705 57.270 -2.566 25037 3816 1 14 . 1 1 47 47 ASN CB C 47 40.262 40.262 39.060 1.202 25037 3817 1 14 . 1 1 47 47 ASN H H 47 8.291 8.291 8.602 -0.311 25037 3818 1 14 . 1 1 48 48 GLU N N 48 121.849 121.849 120.009 1.840 25037 3819 1 14 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.169 -0.042 25037 3820 1 14 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.345 0.707 25037 3821 1 14 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.593 -0.438 25037 3822 1 14 . 1 1 48 48 GLU H H 48 8.695 8.695 8.789 -0.094 25037 3823 1 14 . 1 1 49 49 ARG N N 49 120.467 120.467 120.322 0.145 25037 3824 1 14 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.113 -0.008 25037 3825 1 14 . 1 1 49 49 ARG CA C 49 59.130 59.130 59.232 -0.102 25037 3826 1 14 . 1 1 49 49 ARG CB C 49 30.078 30.078 30.171 -0.093 25037 3827 1 14 . 1 1 49 49 ARG H H 49 7.958 7.958 7.614 0.344 25037 3828 1 14 . 1 1 50 50 VAL N N 50 119.496 119.496 119.143 0.353 25037 3829 1 14 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.492 -0.130 25037 3830 1 14 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.350 0.658 25037 3831 1 14 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.056 0.703 25037 3832 1 14 . 1 1 50 50 VAL H H 50 7.767 7.767 8.184 -0.417 25037 3833 1 14 . 1 1 51 51 SER N N 51 114.856 114.856 115.529 -0.673 25037 3834 1 14 . 1 1 51 51 SER HA H 51 3.665 3.665 3.648 0.017 25037 3835 1 14 . 1 1 51 51 SER CA C 51 62.288 62.288 61.706 0.582 25037 3836 1 14 . 1 1 51 51 SER CB C 51 62.823 62.823 62.927 -0.104 25037 3837 1 14 . 1 1 51 51 SER H H 51 8.296 8.296 8.385 -0.089 25037 3838 1 14 . 1 1 52 52 GLN N N 52 120.482 120.482 120.668 -0.186 25037 3839 1 14 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.058 0.109 25037 3840 1 14 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.833 0.346 25037 3841 1 14 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.402 0.039 25037 3842 1 14 . 1 1 52 52 GLN H H 52 8.012 8.012 8.166 -0.154 25037 3843 1 14 . 1 1 53 53 THR N N 53 117.745 117.745 116.606 1.139 25037 3844 1 14 . 1 1 53 53 THR HA H 53 3.981 3.981 4.088 -0.107 25037 3845 1 14 . 1 1 53 53 THR CA C 53 67.070 67.070 66.457 0.613 25037 3846 1 14 . 1 1 53 53 THR CB C 53 68.860 68.860 68.460 0.400 25037 3847 1 14 . 1 1 53 53 THR H H 53 7.960 7.960 7.825 0.135 25037 3848 1 14 . 1 1 54 54 LEU N N 54 122.166 122.166 121.637 0.529 25037 3849 1 14 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.985 0.349 25037 3850 1 14 . 1 1 54 54 LEU CA C 54 57.483 57.483 57.820 -0.337 25037 3851 1 14 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.091 -0.011 25037 3852 1 14 . 1 1 54 54 LEU H H 54 8.376 8.376 7.878 0.498 25037 3853 1 14 . 1 1 55 55 GLN N N 55 122.381 122.381 119.622 2.759 25037 3854 1 14 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.995 0.065 25037 3855 1 14 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.599 -0.172 25037 3856 1 14 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.443 -0.895 25037 3857 1 14 . 1 1 55 55 GLN H H 55 9.086 9.086 8.440 0.646 25037 3858 1 14 . 1 1 56 56 ARG N N 56 117.595 117.595 118.759 -1.164 25037 3859 1 14 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.064 0.115 25037 3860 1 14 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.659 -2.211 25037 3861 1 14 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.125 0.067 25037 3862 1 14 . 1 1 56 56 ARG H H 56 7.690 7.690 7.681 0.009 25037 3863 1 14 . 1 1 57 57 TRP N N 57 120.743 120.743 122.107 -1.364 25037 3864 1 14 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.382 -0.286 25037 3865 1 14 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.762 -2.906 25037 3866 1 14 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.224 -0.667 25037 3867 1 14 . 1 1 57 57 TRP H H 57 7.754 7.754 7.614 0.140 25037 3868 1 14 . 1 1 58 58 LEU N N 58 121.472 121.472 119.274 2.198 25037 3869 1 14 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.558 0.122 25037 3870 1 14 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.331 -0.153 25037 3871 1 14 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.985 0.962 25037 3872 1 14 . 1 1 58 58 LEU H H 58 8.699 8.699 8.922 -0.223 25037 3873 1 14 . 1 1 59 59 GLU N N 59 117.216 117.216 118.980 -1.764 25037 3874 1 14 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.952 0.005 25037 3875 1 14 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.958 -1.123 25037 3876 1 14 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.572 0.252 25037 3877 1 14 . 1 1 59 59 GLU H H 59 8.301 8.301 8.666 -0.365 25037 3878 1 14 . 1 1 60 60 LYS N N 60 118.414 118.414 119.354 -0.940 25037 3879 1 14 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.055 -0.032 25037 3880 1 14 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.351 -0.467 25037 3881 1 14 . 1 1 60 60 LYS CB C 60 32.425 32.425 31.548 0.877 25037 3882 1 14 . 1 1 60 60 LYS H H 60 7.499 7.499 7.826 -0.327 25037 3883 1 14 . 1 1 61 61 TYR N N 61 120.082 120.082 119.109 0.973 25037 3884 1 14 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.953 -0.204 25037 3885 1 14 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.680 -1.630 25037 3886 1 14 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.273 0.357 25037 3887 1 14 . 1 1 61 61 TYR H H 61 7.852 7.852 7.502 0.350 25037 3888 1 14 . 1 1 62 62 HIS N N 62 117.180 117.180 115.173 2.007 25037 3889 1 14 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.407 0.095 25037 3890 1 14 . 1 1 62 62 HIS CA C 62 55.698 55.698 57.265 -1.567 25037 3891 1 14 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.404 -0.169 25037 3892 1 14 . 1 1 62 62 HIS H H 62 7.600 7.600 8.163 -0.563 25037 3893 1 15 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.561 -0.005 25037 3894 1 15 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.952 0.247 25037 3895 1 15 . 1 1 0 0 PRO CB C 0 32.310 32.310 32.436 -0.126 25037 3896 1 15 . 1 1 1 1 MET N N 1 122.140 122.140 118.841 3.299 25037 3897 1 15 . 1 1 1 1 MET HA H 1 4.507 4.507 4.796 -0.289 25037 3898 1 15 . 1 1 1 1 MET CB C 1 34.854 34.854 36.345 -1.491 25037 3899 1 15 . 1 1 1 1 MET H H 1 8.665 8.665 8.163 0.502 25037 3900 1 15 . 1 1 2 2 ASN N N 2 121.514 121.514 118.753 2.761 25037 3901 1 15 . 1 1 2 2 ASN HA H 2 4.807 4.807 5.051 -0.244 25037 3902 1 15 . 1 1 2 2 ASN CB C 2 39.205 39.205 39.808 -0.603 25037 3903 1 15 . 1 1 2 2 ASN H H 2 8.927 8.927 8.986 -0.059 25037 3904 1 15 . 1 1 3 3 ILE N N 3 123.748 123.748 118.809 4.939 25037 3905 1 15 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.828 0.131 25037 3906 1 15 . 1 1 3 3 ILE CA C 3 65.293 65.293 65.147 0.146 25037 3907 1 15 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.885 0.219 25037 3908 1 15 . 1 1 3 3 ILE H H 3 8.721 8.721 8.360 0.361 25037 3909 1 15 . 1 1 4 4 SER N N 4 115.783 115.783 114.781 1.002 25037 3910 1 15 . 1 1 4 4 SER HA H 4 4.147 4.147 4.014 0.133 25037 3911 1 15 . 1 1 4 4 SER CA C 4 61.528 61.528 61.129 0.399 25037 3912 1 15 . 1 1 4 4 SER CB C 4 62.284 62.284 62.832 -0.548 25037 3913 1 15 . 1 1 4 4 SER H H 4 8.386 8.386 8.136 0.250 25037 3914 1 15 . 1 1 5 5 ASP N N 5 122.493 122.493 121.910 0.583 25037 3915 1 15 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.519 0.104 25037 3916 1 15 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.597 0.245 25037 3917 1 15 . 1 1 5 5 ASP H H 5 7.855 7.855 7.760 0.095 25037 3918 1 15 . 1 1 6 6 ILE N N 6 123.982 123.982 120.188 3.794 25037 3919 1 15 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.844 -0.047 25037 3920 1 15 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.459 -0.687 25037 3921 1 15 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.183 0.141 25037 3922 1 15 . 1 1 6 6 ILE H H 6 8.048 8.048 7.686 0.362 25037 3923 1 15 . 1 1 7 7 ARG N N 7 118.105 118.105 119.457 -1.352 25037 3924 1 15 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.151 -0.334 25037 3925 1 15 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.401 0.331 25037 3926 1 15 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.305 0.742 25037 3927 1 15 . 1 1 7 7 ARG H H 7 8.285 8.285 7.964 0.321 25037 3928 1 15 . 1 1 8 8 ALA N N 8 118.807 118.807 121.005 -2.198 25037 3929 1 15 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.165 -0.042 25037 3930 1 15 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.574 0.519 25037 3931 1 15 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.205 0.348 25037 3932 1 15 . 1 1 8 8 ALA H H 8 8.093 8.093 7.738 0.355 25037 3933 1 15 . 1 1 9 9 GLY N N 9 107.079 107.079 106.419 0.660 25037 3934 1 15 . 1 1 9 9 GLY CA C 9 47.084 47.084 46.148 0.936 25037 3935 1 15 . 1 1 9 9 GLY H H 9 8.358 8.358 7.676 0.682 25037 3936 1 15 . 1 1 10 10 LEU N N 10 121.077 121.077 122.867 -1.790 25037 3937 1 15 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.907 0.223 25037 3938 1 15 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.636 0.343 25037 3939 1 15 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.468 1.185 25037 3940 1 15 . 1 1 10 10 LEU H H 10 8.116 8.116 7.605 0.511 25037 3941 1 15 . 1 1 11 11 ARG N N 11 118.227 118.227 118.400 -0.173 25037 3942 1 15 . 1 1 11 11 ARG HA H 11 3.803 3.803 3.999 -0.196 25037 3943 1 15 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.503 0.922 25037 3944 1 15 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.256 1.065 25037 3945 1 15 . 1 1 11 11 ARG H H 11 8.472 8.472 8.212 0.260 25037 3946 1 15 . 1 1 12 12 THR N N 12 114.121 114.121 117.846 -3.725 25037 3947 1 15 . 1 1 12 12 THR HA H 12 3.965 3.965 4.073 -0.108 25037 3948 1 15 . 1 1 12 12 THR CA C 12 66.730 66.730 66.710 0.020 25037 3949 1 15 . 1 1 12 12 THR CB C 12 69.178 69.178 68.307 0.871 25037 3950 1 15 . 1 1 12 12 THR H H 12 8.180 8.180 7.753 0.427 25037 3951 1 15 . 1 1 13 13 LEU N N 13 119.606 119.606 120.476 -0.870 25037 3952 1 15 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.123 -0.023 25037 3953 1 15 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.255 -0.187 25037 3954 1 15 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.109 1.910 25037 3955 1 15 . 1 1 13 13 LEU H H 13 7.156 7.156 7.808 -0.652 25037 3956 1 15 . 1 1 14 14 VAL N N 14 117.777 117.777 115.372 2.405 25037 3957 1 15 . 1 1 14 14 VAL HA H 14 3.808 3.808 3.991 -0.183 25037 3958 1 15 . 1 1 14 14 VAL CA C 14 65.464 65.464 64.816 0.648 25037 3959 1 15 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.309 0.586 25037 3960 1 15 . 1 1 14 14 VAL H H 14 7.785 7.785 7.711 0.074 25037 3961 1 15 . 1 1 15 15 GLU N N 15 123.041 123.041 121.821 1.220 25037 3962 1 15 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.079 -0.010 25037 3963 1 15 . 1 1 15 15 GLU CA C 15 57.624 57.624 59.060 -1.437 25037 3964 1 15 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.205 -0.009 25037 3965 1 15 . 1 1 15 15 GLU H H 15 8.961 8.961 8.632 0.329 25037 3966 1 15 . 1 1 16 16 ASN N N 16 114.935 114.935 115.000 -0.065 25037 3967 1 15 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.863 -0.036 25037 3968 1 15 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.268 -0.742 25037 3969 1 15 . 1 1 16 16 ASN H H 16 7.863 7.863 7.697 0.166 25037 3970 1 15 . 1 1 17 17 GLU N N 17 113.841 113.841 116.519 -2.678 25037 3971 1 15 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.999 0.071 25037 3972 1 15 . 1 1 17 17 GLU CA C 17 57.624 57.624 58.021 -0.397 25037 3973 1 15 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.437 1.707 25037 3974 1 15 . 1 1 17 17 GLU H H 17 8.008 8.008 8.138 -0.130 25037 3975 1 15 . 1 1 18 18 GLU N N 18 117.787 117.787 116.506 1.281 25037 3976 1 15 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.130 0.180 25037 3977 1 15 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.660 -0.407 25037 3978 1 15 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.484 -0.107 25037 3979 1 15 . 1 1 18 18 GLU H H 18 8.517 8.517 8.320 0.197 25037 3980 1 15 . 1 1 19 19 THR N N 19 110.292 110.292 110.567 -0.275 25037 3981 1 15 . 1 1 19 19 THR HA H 19 4.562 4.562 4.527 0.035 25037 3982 1 15 . 1 1 19 19 THR CB C 19 68.196 68.196 69.600 -1.403 25037 3983 1 15 . 1 1 19 19 THR H H 19 7.457 7.457 7.300 0.157 25037 3984 1 15 . 1 1 20 20 THR N N 20 109.626 109.626 114.351 -4.725 25037 3985 1 15 . 1 1 20 20 THR HA H 20 4.633 4.633 4.569 0.064 25037 3986 1 15 . 1 1 20 20 THR H H 20 8.188 8.188 8.295 -0.107 25037 3987 1 15 . 1 1 21 21 PHE N N 21 118.935 118.935 122.366 -3.431 25037 3988 1 15 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.065 0.173 25037 3989 1 15 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.307 -2.040 25037 3990 1 15 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.532 -0.736 25037 3991 1 15 . 1 1 21 21 PHE H H 21 8.714 8.714 8.731 -0.017 25037 3992 1 15 . 1 1 22 22 LYS N N 22 116.962 116.962 117.490 -0.528 25037 3993 1 15 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.915 -0.034 25037 3994 1 15 . 1 1 22 22 LYS CA C 22 59.589 59.589 60.068 -0.479 25037 3995 1 15 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.852 0.660 25037 3996 1 15 . 1 1 22 22 LYS H H 22 8.234 8.234 8.537 -0.303 25037 3997 1 15 . 1 1 23 23 GLN N N 23 121.042 121.042 119.608 1.434 25037 3998 1 15 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.125 -0.150 25037 3999 1 15 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.492 0.482 25037 4000 1 15 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.214 -0.274 25037 4001 1 15 . 1 1 23 23 GLN H H 23 7.859 7.859 7.607 0.252 25037 4002 1 15 . 1 1 24 24 ILE N N 24 118.125 118.125 120.000 -1.875 25037 4003 1 15 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.133 -0.291 25037 4004 1 15 . 1 1 24 24 ILE CA C 24 65.094 65.094 64.927 0.168 25037 4005 1 15 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.102 0.676 25037 4006 1 15 . 1 1 24 24 ILE H H 24 7.871 7.871 8.333 -0.462 25037 4007 1 15 . 1 1 25 25 ALA N N 25 125.380 125.380 122.831 2.549 25037 4008 1 15 . 1 1 25 25 ALA HA H 25 3.855 3.855 4.033 -0.178 25037 4009 1 15 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.642 1.340 25037 4010 1 15 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.670 0.644 25037 4011 1 15 . 1 1 25 25 ALA H H 25 8.452 8.452 7.977 0.475 25037 4012 1 15 . 1 1 26 26 LEU N N 26 119.285 119.285 119.402 -0.117 25037 4013 1 15 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.949 0.092 25037 4014 1 15 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.936 0.040 25037 4015 1 15 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.848 0.489 25037 4016 1 15 . 1 1 26 26 LEU H H 26 7.936 7.936 8.073 -0.137 25037 4017 1 15 . 1 1 27 27 GLU N N 27 115.748 115.748 118.762 -3.014 25037 4018 1 15 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.118 0.091 25037 4019 1 15 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.967 -0.724 25037 4020 1 15 . 1 1 27 27 GLU CB C 27 30.836 30.836 29.739 1.097 25037 4021 1 15 . 1 1 27 27 GLU H H 27 8.050 8.050 8.483 -0.433 25037 4022 1 15 . 1 1 28 28 SER N N 28 113.421 113.421 112.371 1.050 25037 4023 1 15 . 1 1 28 28 SER HA H 28 4.597 4.597 4.369 0.228 25037 4024 1 15 . 1 1 28 28 SER CB C 28 65.743 65.743 64.308 1.435 25037 4025 1 15 . 1 1 28 28 SER H H 28 8.476 8.476 8.158 0.318 25037 4026 1 15 . 1 1 29 29 GLY N N 29 112.001 112.001 110.534 1.467 25037 4027 1 15 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.594 0.299 25037 4028 1 15 . 1 1 29 29 GLY H H 29 8.074 8.074 7.802 0.272 25037 4029 1 15 . 1 1 30 30 LEU N N 30 120.750 120.750 119.440 1.310 25037 4030 1 15 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.406 0.203 25037 4031 1 15 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.947 1.230 25037 4032 1 15 . 1 1 30 30 LEU H H 30 7.545 7.545 7.381 0.164 25037 4033 1 15 . 1 1 31 31 SER N N 31 113.993 113.993 113.871 0.122 25037 4034 1 15 . 1 1 31 31 SER HA H 31 4.568 4.568 4.613 -0.045 25037 4035 1 15 . 1 1 31 31 SER CB C 31 64.928 64.928 64.006 0.922 25037 4036 1 15 . 1 1 31 31 SER H H 31 8.326 8.326 8.481 -0.155 25037 4037 1 15 . 1 1 32 32 THR HA H 32 3.606 3.606 3.888 -0.282 25037 4038 1 15 . 1 1 32 32 THR CA C 32 66.547 66.547 64.326 2.221 25037 4039 1 15 . 1 1 32 32 THR CB C 32 67.740 67.740 68.425 -0.685 25037 4040 1 15 . 1 1 33 33 GLY CA C 33 46.761 46.761 45.897 0.864 25037 4041 1 15 . 1 1 33 33 GLY H H 33 7.877 7.877 8.055 -0.178 25037 4042 1 15 . 1 1 34 34 THR N N 34 121.948 121.948 119.187 2.761 25037 4043 1 15 . 1 1 34 34 THR HA H 34 3.737 3.737 3.897 -0.160 25037 4044 1 15 . 1 1 34 34 THR CA C 34 66.578 66.578 67.245 -0.667 25037 4045 1 15 . 1 1 34 34 THR CB C 34 67.956 67.956 68.385 -0.429 25037 4046 1 15 . 1 1 34 34 THR H H 34 7.877 7.877 7.985 -0.108 25037 4047 1 15 . 1 1 35 35 ILE N N 35 120.301 120.301 120.874 -0.573 25037 4048 1 15 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.476 -0.277 25037 4049 1 15 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.649 -0.135 25037 4050 1 15 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.519 0.350 25037 4051 1 15 . 1 1 35 35 ILE H H 35 7.750 7.750 7.663 0.087 25037 4052 1 15 . 1 1 36 36 SER N N 36 113.120 113.120 114.581 -1.461 25037 4053 1 15 . 1 1 36 36 SER HA H 36 3.535 3.535 4.050 -0.515 25037 4054 1 15 . 1 1 36 36 SER CA C 36 61.365 61.365 61.616 -0.251 25037 4055 1 15 . 1 1 36 36 SER CB C 36 62.114 62.114 62.284 -0.170 25037 4056 1 15 . 1 1 36 36 SER H H 36 8.322 8.322 7.728 0.594 25037 4057 1 15 . 1 1 37 37 SER N N 37 116.941 116.941 118.315 -1.374 25037 4058 1 15 . 1 1 37 37 SER HA H 37 4.196 4.196 4.271 -0.075 25037 4059 1 15 . 1 1 37 37 SER CA C 37 61.201 61.201 61.425 -0.224 25037 4060 1 15 . 1 1 37 37 SER CB C 37 63.821 63.821 63.151 0.670 25037 4061 1 15 . 1 1 37 37 SER H H 37 8.096 8.096 7.539 0.557 25037 4062 1 15 . 1 1 38 38 PHE N N 38 123.225 123.225 123.953 -0.728 25037 4063 1 15 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.361 -0.007 25037 4064 1 15 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.615 0.284 25037 4065 1 15 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.103 0.207 25037 4066 1 15 . 1 1 38 38 PHE H H 38 8.541 8.541 8.603 -0.062 25037 4067 1 15 . 1 1 39 39 ILE N N 39 121.189 121.189 118.145 3.044 25037 4068 1 15 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.722 -0.292 25037 4069 1 15 . 1 1 39 39 ILE CA C 39 65.804 65.804 64.825 0.979 25037 4070 1 15 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.824 0.034 25037 4071 1 15 . 1 1 39 39 ILE H H 39 8.619 8.619 8.506 0.113 25037 4072 1 15 . 1 1 40 40 ASN N N 40 115.447 115.447 115.747 -0.300 25037 4073 1 15 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.832 -0.184 25037 4074 1 15 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.730 0.513 25037 4075 1 15 . 1 1 40 40 ASN H H 40 7.547 7.547 8.077 -0.530 25037 4076 1 15 . 1 1 41 41 ASP N N 41 119.335 119.335 115.848 3.487 25037 4077 1 15 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.251 0.142 25037 4078 1 15 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.808 -1.277 25037 4079 1 15 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.035 0.546 25037 4080 1 15 . 1 1 41 41 ASP H H 41 7.933 7.933 7.905 0.028 25037 4081 1 15 . 1 1 42 42 LYS N N 42 117.025 117.025 114.706 2.319 25037 4082 1 15 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.509 0.011 25037 4083 1 15 . 1 1 42 42 LYS CB C 42 33.693 33.693 33.626 0.067 25037 4084 1 15 . 1 1 42 42 LYS H H 42 8.418 8.418 8.334 0.084 25037 4085 1 15 . 1 1 43 43 TYR N N 43 122.804 122.804 123.456 -0.652 25037 4086 1 15 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.315 0.348 25037 4087 1 15 . 1 1 43 43 TYR CB C 43 38.132 38.132 37.831 0.301 25037 4088 1 15 . 1 1 43 43 TYR H H 43 8.437 8.437 7.567 0.870 25037 4089 1 15 . 1 1 44 44 ASN CB C 44 38.647 38.647 37.819 0.828 25037 4090 1 15 . 1 1 45 45 GLY CA C 45 45.034 45.034 45.376 -0.342 25037 4091 1 15 . 1 1 46 46 ASP CB C 46 40.065 40.065 38.599 1.466 25037 4092 1 15 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.670 -0.150 25037 4093 1 15 . 1 1 47 47 ASN CA C 47 54.705 54.705 57.080 -2.375 25037 4094 1 15 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.739 1.523 25037 4095 1 15 . 1 1 47 47 ASN H H 47 8.291 8.291 8.398 -0.107 25037 4096 1 15 . 1 1 48 48 GLU N N 48 121.849 121.849 119.266 2.583 25037 4097 1 15 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.106 0.021 25037 4098 1 15 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.369 0.683 25037 4099 1 15 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.436 -0.281 25037 4100 1 15 . 1 1 48 48 GLU H H 48 8.695 8.695 8.698 -0.003 25037 4101 1 15 . 1 1 49 49 ARG N N 49 120.467 120.467 120.518 -0.051 25037 4102 1 15 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.152 -0.047 25037 4103 1 15 . 1 1 49 49 ARG CA C 49 59.130 59.130 58.986 0.144 25037 4104 1 15 . 1 1 49 49 ARG CB C 49 30.078 30.078 30.468 -0.390 25037 4105 1 15 . 1 1 49 49 ARG H H 49 7.958 7.958 7.779 0.179 25037 4106 1 15 . 1 1 50 50 VAL N N 50 119.496 119.496 119.134 0.362 25037 4107 1 15 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.413 -0.051 25037 4108 1 15 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.310 0.698 25037 4109 1 15 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.557 0.202 25037 4110 1 15 . 1 1 50 50 VAL H H 50 7.767 7.767 7.854 -0.087 25037 4111 1 15 . 1 1 51 51 SER N N 51 114.856 114.856 115.201 -0.345 25037 4112 1 15 . 1 1 51 51 SER HA H 51 3.665 3.665 3.805 -0.140 25037 4113 1 15 . 1 1 51 51 SER CA C 51 62.288 62.288 61.664 0.624 25037 4114 1 15 . 1 1 51 51 SER CB C 51 62.823 62.823 62.915 -0.092 25037 4115 1 15 . 1 1 51 51 SER H H 51 8.296 8.296 8.624 -0.328 25037 4116 1 15 . 1 1 52 52 GLN N N 52 120.482 120.482 120.725 -0.243 25037 4117 1 15 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.127 0.040 25037 4118 1 15 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.387 0.792 25037 4119 1 15 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.102 0.340 25037 4120 1 15 . 1 1 52 52 GLN H H 52 8.012 8.012 7.701 0.311 25037 4121 1 15 . 1 1 53 53 THR N N 53 117.745 117.745 117.437 0.308 25037 4122 1 15 . 1 1 53 53 THR HA H 53 3.981 3.981 4.037 -0.056 25037 4123 1 15 . 1 1 53 53 THR CA C 53 67.070 67.070 66.439 0.631 25037 4124 1 15 . 1 1 53 53 THR CB C 53 68.860 68.860 68.416 0.444 25037 4125 1 15 . 1 1 53 53 THR H H 53 7.960 7.960 7.550 0.410 25037 4126 1 15 . 1 1 54 54 LEU N N 54 122.166 122.166 121.711 0.455 25037 4127 1 15 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.822 0.512 25037 4128 1 15 . 1 1 54 54 LEU CA C 54 57.483 57.483 58.168 -0.685 25037 4129 1 15 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.102 -0.022 25037 4130 1 15 . 1 1 54 54 LEU H H 54 8.376 8.376 8.226 0.150 25037 4131 1 15 . 1 1 55 55 GLN N N 55 122.381 122.381 118.701 3.680 25037 4132 1 15 . 1 1 55 55 GLN HA H 55 4.060 4.060 4.002 0.058 25037 4133 1 15 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.702 -0.275 25037 4134 1 15 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.385 -0.837 25037 4135 1 15 . 1 1 55 55 GLN H H 55 9.086 9.086 8.562 0.524 25037 4136 1 15 . 1 1 56 56 ARG N N 56 117.595 117.595 118.813 -1.218 25037 4137 1 15 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.065 0.114 25037 4138 1 15 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.353 -1.905 25037 4139 1 15 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.098 0.094 25037 4140 1 15 . 1 1 56 56 ARG H H 56 7.690 7.690 7.823 -0.133 25037 4141 1 15 . 1 1 57 57 TRP N N 57 120.743 120.743 122.246 -1.503 25037 4142 1 15 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.388 -0.292 25037 4143 1 15 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.136 -2.280 25037 4144 1 15 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.307 -0.750 25037 4145 1 15 . 1 1 57 57 TRP H H 57 7.754 7.754 7.629 0.125 25037 4146 1 15 . 1 1 58 58 LEU N N 58 121.472 121.472 120.631 0.841 25037 4147 1 15 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.538 0.142 25037 4148 1 15 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.392 -0.214 25037 4149 1 15 . 1 1 58 58 LEU CB C 58 42.947 42.947 42.020 0.927 25037 4150 1 15 . 1 1 58 58 LEU H H 58 8.699 8.699 8.862 -0.163 25037 4151 1 15 . 1 1 59 59 GLU N N 59 117.216 117.216 118.299 -1.083 25037 4152 1 15 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.975 -0.018 25037 4153 1 15 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.290 -0.455 25037 4154 1 15 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.324 0.500 25037 4155 1 15 . 1 1 59 59 GLU H H 59 8.301 8.301 8.439 -0.138 25037 4156 1 15 . 1 1 60 60 LYS N N 60 118.414 118.414 117.430 0.984 25037 4157 1 15 . 1 1 60 60 LYS HA H 60 4.023 4.023 3.993 0.030 25037 4158 1 15 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.110 -0.226 25037 4159 1 15 . 1 1 60 60 LYS CB C 60 32.425 32.425 32.292 0.133 25037 4160 1 15 . 1 1 60 60 LYS H H 60 7.499 7.499 7.426 0.073 25037 4161 1 15 . 1 1 61 61 TYR N N 61 120.082 120.082 122.425 -2.343 25037 4162 1 15 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.772 -0.023 25037 4163 1 15 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.870 -1.820 25037 4164 1 15 . 1 1 61 61 TYR CB C 61 38.630 38.630 37.730 0.900 25037 4165 1 15 . 1 1 61 61 TYR H H 61 7.852 7.852 7.926 -0.074 25037 4166 1 15 . 1 1 62 62 HIS N N 62 117.180 117.180 113.965 3.215 25037 4167 1 15 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.490 0.012 25037 4168 1 15 . 1 1 62 62 HIS CA C 62 55.698 55.698 56.534 -0.836 25037 4169 1 15 . 1 1 62 62 HIS CB C 62 30.235 30.235 29.569 0.666 25037 4170 1 15 . 1 1 62 62 HIS H H 62 7.600 7.600 7.756 -0.156 25037 4171 1 16 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.567 -0.011 25037 4172 1 16 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.713 0.486 25037 4173 1 16 . 1 1 0 0 PRO CB C 0 32.310 32.310 30.949 1.361 25037 4174 1 16 . 1 1 1 1 MET N N 1 122.140 122.140 123.023 -0.883 25037 4175 1 16 . 1 1 1 1 MET HA H 1 4.507 4.507 4.081 0.426 25037 4176 1 16 . 1 1 1 1 MET CB C 1 34.854 34.854 32.298 2.556 25037 4177 1 16 . 1 1 1 1 MET H H 1 8.665 8.665 7.907 0.758 25037 4178 1 16 . 1 1 2 2 ASN N N 2 121.514 121.514 122.823 -1.309 25037 4179 1 16 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.596 0.211 25037 4180 1 16 . 1 1 2 2 ASN CB C 2 39.205 39.205 39.974 -0.769 25037 4181 1 16 . 1 1 2 2 ASN H H 2 8.927 8.927 8.599 0.328 25037 4182 1 16 . 1 1 3 3 ILE N N 3 123.748 123.748 122.488 1.260 25037 4183 1 16 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.830 0.129 25037 4184 1 16 . 1 1 3 3 ILE CA C 3 65.293 65.293 64.797 0.496 25037 4185 1 16 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.577 0.527 25037 4186 1 16 . 1 1 3 3 ILE H H 3 8.721 8.721 8.657 0.064 25037 4187 1 16 . 1 1 4 4 SER N N 4 115.783 115.783 115.217 0.566 25037 4188 1 16 . 1 1 4 4 SER HA H 4 4.147 4.147 3.958 0.189 25037 4189 1 16 . 1 1 4 4 SER CA C 4 61.528 61.528 61.453 0.075 25037 4190 1 16 . 1 1 4 4 SER CB C 4 62.284 62.284 62.484 -0.200 25037 4191 1 16 . 1 1 4 4 SER H H 4 8.386 8.386 8.395 -0.009 25037 4192 1 16 . 1 1 5 5 ASP N N 5 122.493 122.493 122.639 -0.146 25037 4193 1 16 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.579 0.044 25037 4194 1 16 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.784 0.058 25037 4195 1 16 . 1 1 5 5 ASP H H 5 7.855 7.855 7.760 0.095 25037 4196 1 16 . 1 1 6 6 ILE N N 6 123.982 123.982 120.753 3.229 25037 4197 1 16 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.762 0.035 25037 4198 1 16 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.792 -1.020 25037 4199 1 16 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.105 0.219 25037 4200 1 16 . 1 1 6 6 ILE H H 6 8.048 8.048 8.220 -0.172 25037 4201 1 16 . 1 1 7 7 ARG N N 7 118.105 118.105 119.603 -1.498 25037 4202 1 16 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.128 -0.311 25037 4203 1 16 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.419 0.313 25037 4204 1 16 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.520 0.527 25037 4205 1 16 . 1 1 7 7 ARG H H 7 8.285 8.285 8.595 -0.310 25037 4206 1 16 . 1 1 8 8 ALA N N 8 118.807 118.807 122.194 -3.387 25037 4207 1 16 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.030 0.093 25037 4208 1 16 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.967 0.126 25037 4209 1 16 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.290 0.263 25037 4210 1 16 . 1 1 8 8 ALA H H 8 8.093 8.093 7.716 0.377 25037 4211 1 16 . 1 1 9 9 GLY N N 9 107.079 107.079 106.641 0.438 25037 4212 1 16 . 1 1 9 9 GLY CA C 9 47.084 47.084 46.972 0.112 25037 4213 1 16 . 1 1 9 9 GLY H H 9 8.358 8.358 7.721 0.637 25037 4214 1 16 . 1 1 10 10 LEU N N 10 121.077 121.077 121.027 0.050 25037 4215 1 16 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.967 0.163 25037 4216 1 16 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.547 0.432 25037 4217 1 16 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.423 1.229 25037 4218 1 16 . 1 1 10 10 LEU H H 10 8.116 8.116 7.635 0.481 25037 4219 1 16 . 1 1 11 11 ARG N N 11 118.227 118.227 118.816 -0.589 25037 4220 1 16 . 1 1 11 11 ARG HA H 11 3.803 3.803 4.031 -0.228 25037 4221 1 16 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.414 1.011 25037 4222 1 16 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.939 0.382 25037 4223 1 16 . 1 1 11 11 ARG H H 11 8.472 8.472 7.521 0.951 25037 4224 1 16 . 1 1 12 12 THR N N 12 114.121 114.121 116.880 -2.759 25037 4225 1 16 . 1 1 12 12 THR HA H 12 3.965 3.965 4.064 -0.099 25037 4226 1 16 . 1 1 12 12 THR CA C 12 66.730 66.730 66.292 0.438 25037 4227 1 16 . 1 1 12 12 THR CB C 12 69.178 69.178 68.366 0.812 25037 4228 1 16 . 1 1 12 12 THR H H 12 8.180 8.180 7.592 0.588 25037 4229 1 16 . 1 1 13 13 LEU N N 13 119.606 119.606 121.184 -1.578 25037 4230 1 16 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.074 0.026 25037 4231 1 16 . 1 1 13 13 LEU CA C 13 58.068 58.068 57.888 0.180 25037 4232 1 16 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.598 1.421 25037 4233 1 16 . 1 1 13 13 LEU H H 13 7.156 7.156 8.117 -0.961 25037 4234 1 16 . 1 1 14 14 VAL N N 14 117.777 117.777 115.160 2.617 25037 4235 1 16 . 1 1 14 14 VAL HA H 14 3.808 3.808 4.059 -0.251 25037 4236 1 16 . 1 1 14 14 VAL CA C 14 65.464 65.464 65.074 0.390 25037 4237 1 16 . 1 1 14 14 VAL CB C 14 31.895 31.895 30.649 1.246 25037 4238 1 16 . 1 1 14 14 VAL H H 14 7.785 7.785 7.763 0.022 25037 4239 1 16 . 1 1 15 15 GLU N N 15 123.041 123.041 121.506 1.535 25037 4240 1 16 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.093 -0.024 25037 4241 1 16 . 1 1 15 15 GLU CA C 15 57.624 57.624 59.262 -1.638 25037 4242 1 16 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.492 -0.296 25037 4243 1 16 . 1 1 15 15 GLU H H 15 8.961 8.961 8.161 0.800 25037 4244 1 16 . 1 1 16 16 ASN N N 16 114.935 114.935 114.383 0.552 25037 4245 1 16 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.836 -0.009 25037 4246 1 16 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.193 -0.667 25037 4247 1 16 . 1 1 16 16 ASN H H 16 7.863 7.863 7.654 0.209 25037 4248 1 16 . 1 1 17 17 GLU N N 17 113.841 113.841 115.198 -1.357 25037 4249 1 16 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.964 0.106 25037 4250 1 16 . 1 1 17 17 GLU CA C 17 57.624 57.624 57.980 -0.356 25037 4251 1 16 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.495 1.649 25037 4252 1 16 . 1 1 17 17 GLU H H 17 8.008 8.008 8.126 -0.118 25037 4253 1 16 . 1 1 18 18 GLU N N 18 117.787 117.787 116.425 1.362 25037 4254 1 16 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.092 0.218 25037 4255 1 16 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.745 -0.492 25037 4256 1 16 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.313 0.064 25037 4257 1 16 . 1 1 18 18 GLU H H 18 8.517 8.517 7.961 0.556 25037 4258 1 16 . 1 1 19 19 THR N N 19 110.292 110.292 110.475 -0.183 25037 4259 1 16 . 1 1 19 19 THR HA H 19 4.562 4.562 4.773 -0.211 25037 4260 1 16 . 1 1 19 19 THR CB C 19 68.196 68.196 70.264 -2.068 25037 4261 1 16 . 1 1 19 19 THR H H 19 7.457 7.457 7.320 0.137 25037 4262 1 16 . 1 1 20 20 THR N N 20 109.626 109.626 114.500 -4.874 25037 4263 1 16 . 1 1 20 20 THR HA H 20 4.633 4.633 4.596 0.037 25037 4264 1 16 . 1 1 20 20 THR H H 20 8.188 8.188 8.367 -0.179 25037 4265 1 16 . 1 1 21 21 PHE N N 21 118.935 118.935 122.345 -3.410 25037 4266 1 16 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.040 0.198 25037 4267 1 16 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.442 -2.175 25037 4268 1 16 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.220 -0.424 25037 4269 1 16 . 1 1 21 21 PHE H H 21 8.714 8.714 8.792 -0.078 25037 4270 1 16 . 1 1 22 22 LYS N N 22 116.962 116.962 117.132 -0.170 25037 4271 1 16 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.957 -0.076 25037 4272 1 16 . 1 1 22 22 LYS CA C 22 59.589 59.589 60.081 -0.492 25037 4273 1 16 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.942 0.572 25037 4274 1 16 . 1 1 22 22 LYS H H 22 8.234 8.234 8.385 -0.151 25037 4275 1 16 . 1 1 23 23 GLN N N 23 121.042 121.042 119.983 1.059 25037 4276 1 16 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.173 -0.198 25037 4277 1 16 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.444 0.530 25037 4278 1 16 . 1 1 23 23 GLN CB C 23 27.940 27.940 27.915 0.025 25037 4279 1 16 . 1 1 23 23 GLN H H 23 7.859 7.859 7.698 0.161 25037 4280 1 16 . 1 1 24 24 ILE N N 24 118.125 118.125 119.970 -1.845 25037 4281 1 16 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.270 -0.428 25037 4282 1 16 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.180 -0.086 25037 4283 1 16 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.207 0.571 25037 4284 1 16 . 1 1 24 24 ILE H H 24 7.871 7.871 8.485 -0.614 25037 4285 1 16 . 1 1 25 25 ALA N N 25 125.380 125.380 122.391 2.989 25037 4286 1 16 . 1 1 25 25 ALA HA H 25 3.855 3.855 4.019 -0.164 25037 4287 1 16 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.609 1.373 25037 4288 1 16 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.590 0.724 25037 4289 1 16 . 1 1 25 25 ALA H H 25 8.452 8.452 7.630 0.822 25037 4290 1 16 . 1 1 26 26 LEU N N 26 119.285 119.285 119.277 0.008 25037 4291 1 16 . 1 1 26 26 LEU HA H 26 4.041 4.041 4.041 -0.000 25037 4292 1 16 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.851 0.125 25037 4293 1 16 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.744 0.593 25037 4294 1 16 . 1 1 26 26 LEU H H 26 7.936 7.936 8.076 -0.140 25037 4295 1 16 . 1 1 27 27 GLU N N 27 115.748 115.748 117.671 -1.923 25037 4296 1 16 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.264 -0.055 25037 4297 1 16 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.542 -0.299 25037 4298 1 16 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.312 0.524 25037 4299 1 16 . 1 1 27 27 GLU H H 27 8.050 8.050 8.349 -0.299 25037 4300 1 16 . 1 1 28 28 SER N N 28 113.421 113.421 111.566 1.855 25037 4301 1 16 . 1 1 28 28 SER HA H 28 4.597 4.597 4.383 0.214 25037 4302 1 16 . 1 1 28 28 SER CB C 28 65.743 65.743 64.407 1.336 25037 4303 1 16 . 1 1 28 28 SER H H 28 8.476 8.476 8.248 0.228 25037 4304 1 16 . 1 1 29 29 GLY N N 29 112.001 112.001 110.638 1.363 25037 4305 1 16 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.498 0.395 25037 4306 1 16 . 1 1 29 29 GLY H H 29 8.074 8.074 7.955 0.119 25037 4307 1 16 . 1 1 30 30 LEU N N 30 120.750 120.750 119.932 0.818 25037 4308 1 16 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.259 0.350 25037 4309 1 16 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.403 1.774 25037 4310 1 16 . 1 1 30 30 LEU H H 30 7.545 7.545 7.313 0.232 25037 4311 1 16 . 1 1 31 31 SER N N 31 113.993 113.993 115.079 -1.086 25037 4312 1 16 . 1 1 31 31 SER HA H 31 4.568 4.568 4.489 0.079 25037 4313 1 16 . 1 1 31 31 SER CB C 31 64.928 64.928 64.289 0.639 25037 4314 1 16 . 1 1 31 31 SER H H 31 8.326 8.326 8.536 -0.210 25037 4315 1 16 . 1 1 32 32 THR HA H 32 3.606 3.606 4.118 -0.512 25037 4316 1 16 . 1 1 32 32 THR CA C 32 66.547 66.547 65.299 1.248 25037 4317 1 16 . 1 1 32 32 THR CB C 32 67.740 67.740 68.551 -0.811 25037 4318 1 16 . 1 1 33 33 GLY CA C 33 46.761 46.761 47.566 -0.805 25037 4319 1 16 . 1 1 33 33 GLY H H 33 7.877 7.877 8.517 -0.640 25037 4320 1 16 . 1 1 34 34 THR N N 34 121.948 121.948 119.456 2.492 25037 4321 1 16 . 1 1 34 34 THR HA H 34 3.737 3.737 3.894 -0.157 25037 4322 1 16 . 1 1 34 34 THR CA C 34 66.578 66.578 66.595 -0.017 25037 4323 1 16 . 1 1 34 34 THR CB C 34 67.956 67.956 68.501 -0.545 25037 4324 1 16 . 1 1 34 34 THR H H 34 7.877 7.877 7.931 -0.055 25037 4325 1 16 . 1 1 35 35 ILE N N 35 120.301 120.301 121.304 -1.003 25037 4326 1 16 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.445 -0.246 25037 4327 1 16 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.622 -0.108 25037 4328 1 16 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.699 0.170 25037 4329 1 16 . 1 1 35 35 ILE H H 35 7.750 7.750 7.340 0.410 25037 4330 1 16 . 1 1 36 36 SER N N 36 113.120 113.120 114.785 -1.665 25037 4331 1 16 . 1 1 36 36 SER HA H 36 3.535 3.535 4.063 -0.528 25037 4332 1 16 . 1 1 36 36 SER CA C 36 61.365 61.365 61.756 -0.391 25037 4333 1 16 . 1 1 36 36 SER CB C 36 62.114 62.114 62.076 0.038 25037 4334 1 16 . 1 1 36 36 SER H H 36 8.322 8.322 7.748 0.574 25037 4335 1 16 . 1 1 37 37 SER N N 37 116.941 116.941 118.510 -1.569 25037 4336 1 16 . 1 1 37 37 SER HA H 37 4.196 4.196 4.259 -0.063 25037 4337 1 16 . 1 1 37 37 SER CA C 37 61.201 61.201 61.845 -0.644 25037 4338 1 16 . 1 1 37 37 SER CB C 37 63.821 63.821 63.251 0.570 25037 4339 1 16 . 1 1 37 37 SER H H 37 8.096 8.096 8.075 0.021 25037 4340 1 16 . 1 1 38 38 PHE N N 38 123.225 123.225 123.451 -0.226 25037 4341 1 16 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.198 0.156 25037 4342 1 16 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.648 0.251 25037 4343 1 16 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.019 0.291 25037 4344 1 16 . 1 1 38 38 PHE H H 38 8.541 8.541 8.642 -0.101 25037 4345 1 16 . 1 1 39 39 ILE N N 39 121.189 121.189 118.883 2.306 25037 4346 1 16 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.632 -0.202 25037 4347 1 16 . 1 1 39 39 ILE CA C 39 65.804 65.804 65.883 -0.079 25037 4348 1 16 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.722 0.136 25037 4349 1 16 . 1 1 39 39 ILE H H 39 8.619 8.619 8.963 -0.344 25037 4350 1 16 . 1 1 40 40 ASN N N 40 115.447 115.447 114.552 0.895 25037 4351 1 16 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.695 -0.047 25037 4352 1 16 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.708 0.535 25037 4353 1 16 . 1 1 40 40 ASN H H 40 7.547 7.547 7.676 -0.129 25037 4354 1 16 . 1 1 41 41 ASP N N 41 119.335 119.335 117.781 1.554 25037 4355 1 16 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.255 0.138 25037 4356 1 16 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.445 -0.914 25037 4357 1 16 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.411 0.170 25037 4358 1 16 . 1 1 41 41 ASP H H 41 7.933 7.933 7.972 -0.039 25037 4359 1 16 . 1 1 42 42 LYS N N 42 117.025 117.025 115.851 1.174 25037 4360 1 16 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.382 0.138 25037 4361 1 16 . 1 1 42 42 LYS CB C 42 33.693 33.693 33.843 -0.150 25037 4362 1 16 . 1 1 42 42 LYS H H 42 8.418 8.418 8.194 0.224 25037 4363 1 16 . 1 1 43 43 TYR N N 43 122.804 122.804 120.771 2.033 25037 4364 1 16 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.341 0.322 25037 4365 1 16 . 1 1 43 43 TYR CB C 43 38.132 38.132 39.439 -1.307 25037 4366 1 16 . 1 1 43 43 TYR H H 43 8.437 8.437 7.663 0.774 25037 4367 1 16 . 1 1 44 44 ASN CB C 44 38.647 38.647 38.806 -0.159 25037 4368 1 16 . 1 1 45 45 GLY CA C 45 45.034 45.034 44.626 0.408 25037 4369 1 16 . 1 1 46 46 ASP CB C 46 40.065 40.065 40.454 -0.389 25037 4370 1 16 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.617 -0.097 25037 4371 1 16 . 1 1 47 47 ASN CA C 47 54.705 54.705 55.998 -1.293 25037 4372 1 16 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.414 1.848 25037 4373 1 16 . 1 1 47 47 ASN H H 47 8.291 8.291 8.853 -0.562 25037 4374 1 16 . 1 1 48 48 GLU N N 48 121.849 121.849 121.105 0.744 25037 4375 1 16 . 1 1 48 48 GLU HA H 48 4.127 4.127 3.975 0.152 25037 4376 1 16 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.077 0.975 25037 4377 1 16 . 1 1 48 48 GLU CB C 48 29.155 29.155 28.854 0.301 25037 4378 1 16 . 1 1 48 48 GLU H H 48 8.695 8.695 8.672 0.023 25037 4379 1 16 . 1 1 49 49 ARG N N 49 120.467 120.467 120.549 -0.082 25037 4380 1 16 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.000 0.105 25037 4381 1 16 . 1 1 49 49 ARG CA C 49 59.130 59.130 59.391 -0.261 25037 4382 1 16 . 1 1 49 49 ARG CB C 49 30.078 30.078 30.194 -0.116 25037 4383 1 16 . 1 1 49 49 ARG H H 49 7.958 7.958 7.621 0.337 25037 4384 1 16 . 1 1 50 50 VAL N N 50 119.496 119.496 119.304 0.192 25037 4385 1 16 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.437 -0.075 25037 4386 1 16 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.802 0.206 25037 4387 1 16 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.328 0.431 25037 4388 1 16 . 1 1 50 50 VAL H H 50 7.767 7.767 7.600 0.167 25037 4389 1 16 . 1 1 51 51 SER N N 51 114.856 114.856 116.140 -1.284 25037 4390 1 16 . 1 1 51 51 SER HA H 51 3.665 3.665 3.797 -0.132 25037 4391 1 16 . 1 1 51 51 SER CA C 51 62.288 62.288 62.173 0.115 25037 4392 1 16 . 1 1 51 51 SER CB C 51 62.823 62.823 62.365 0.458 25037 4393 1 16 . 1 1 51 51 SER H H 51 8.296 8.296 8.641 -0.345 25037 4394 1 16 . 1 1 52 52 GLN N N 52 120.482 120.482 121.123 -0.641 25037 4395 1 16 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.096 0.071 25037 4396 1 16 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.466 0.713 25037 4397 1 16 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.003 0.438 25037 4398 1 16 . 1 1 52 52 GLN H H 52 8.012 8.012 8.564 -0.552 25037 4399 1 16 . 1 1 53 53 THR N N 53 117.745 117.745 117.965 -0.220 25037 4400 1 16 . 1 1 53 53 THR HA H 53 3.981 3.981 4.057 -0.076 25037 4401 1 16 . 1 1 53 53 THR CA C 53 67.070 67.070 67.021 0.049 25037 4402 1 16 . 1 1 53 53 THR CB C 53 68.860 68.860 68.368 0.492 25037 4403 1 16 . 1 1 53 53 THR H H 53 7.960 7.960 7.585 0.375 25037 4404 1 16 . 1 1 54 54 LEU N N 54 122.166 122.166 121.495 0.671 25037 4405 1 16 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.833 0.501 25037 4406 1 16 . 1 1 54 54 LEU CA C 54 57.483 57.483 58.043 -0.560 25037 4407 1 16 . 1 1 54 54 LEU CB C 54 41.080 41.080 40.889 0.191 25037 4408 1 16 . 1 1 54 54 LEU H H 54 8.376 8.376 8.168 0.208 25037 4409 1 16 . 1 1 55 55 GLN N N 55 122.381 122.381 119.128 3.253 25037 4410 1 16 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.997 0.063 25037 4411 1 16 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.822 -0.395 25037 4412 1 16 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.456 -0.908 25037 4413 1 16 . 1 1 55 55 GLN H H 55 9.086 9.086 8.576 0.510 25037 4414 1 16 . 1 1 56 56 ARG N N 56 117.595 117.595 119.641 -2.046 25037 4415 1 16 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.006 0.173 25037 4416 1 16 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.475 -2.027 25037 4417 1 16 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.078 0.113 25037 4418 1 16 . 1 1 56 56 ARG H H 56 7.690 7.690 7.967 -0.277 25037 4419 1 16 . 1 1 57 57 TRP N N 57 120.743 120.743 121.533 -0.790 25037 4420 1 16 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.349 -0.253 25037 4421 1 16 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.174 -2.318 25037 4422 1 16 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.379 -0.822 25037 4423 1 16 . 1 1 57 57 TRP H H 57 7.754 7.754 7.997 -0.243 25037 4424 1 16 . 1 1 58 58 LEU N N 58 121.472 121.472 119.829 1.643 25037 4425 1 16 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.771 -0.091 25037 4426 1 16 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.653 -0.475 25037 4427 1 16 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.858 1.089 25037 4428 1 16 . 1 1 58 58 LEU H H 58 8.699 8.699 8.740 -0.041 25037 4429 1 16 . 1 1 59 59 GLU N N 59 117.216 117.216 118.889 -1.673 25037 4430 1 16 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.969 -0.012 25037 4431 1 16 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.581 -0.746 25037 4432 1 16 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.279 0.545 25037 4433 1 16 . 1 1 59 59 GLU H H 59 8.301 8.301 8.528 -0.227 25037 4434 1 16 . 1 1 60 60 LYS N N 60 118.414 118.414 117.943 0.471 25037 4435 1 16 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.052 -0.029 25037 4436 1 16 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.652 -0.768 25037 4437 1 16 . 1 1 60 60 LYS CB C 60 32.425 32.425 31.955 0.470 25037 4438 1 16 . 1 1 60 60 LYS H H 60 7.499 7.499 7.677 -0.178 25037 4439 1 16 . 1 1 61 61 TYR N N 61 120.082 120.082 119.785 0.297 25037 4440 1 16 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.909 -0.160 25037 4441 1 16 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.510 -1.460 25037 4442 1 16 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.257 0.373 25037 4443 1 16 . 1 1 61 61 TYR H H 61 7.852 7.852 7.748 0.104 25037 4444 1 16 . 1 1 62 62 HIS N N 62 117.180 117.180 114.898 2.282 25037 4445 1 16 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.408 0.094 25037 4446 1 16 . 1 1 62 62 HIS CA C 62 55.698 55.698 57.141 -1.443 25037 4447 1 16 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.236 -0.001 25037 4448 1 16 . 1 1 62 62 HIS H H 62 7.600 7.600 8.334 -0.734 25037 4449 1 17 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.484 0.072 25037 4450 1 17 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.641 0.559 25037 4451 1 17 . 1 1 0 0 PRO CB C 0 32.310 32.310 32.473 -0.163 25037 4452 1 17 . 1 1 1 1 MET N N 1 122.140 122.140 117.680 4.460 25037 4453 1 17 . 1 1 1 1 MET HA H 1 4.507 4.507 4.792 -0.285 25037 4454 1 17 . 1 1 1 1 MET CB C 1 34.854 34.854 36.902 -2.048 25037 4455 1 17 . 1 1 1 1 MET H H 1 8.665 8.665 8.597 0.068 25037 4456 1 17 . 1 1 2 2 ASN N N 2 121.514 121.514 118.896 2.618 25037 4457 1 17 . 1 1 2 2 ASN HA H 2 4.807 4.807 5.072 -0.265 25037 4458 1 17 . 1 1 2 2 ASN CB C 2 39.205 39.205 41.512 -2.307 25037 4459 1 17 . 1 1 2 2 ASN H H 2 8.927 8.927 9.257 -0.330 25037 4460 1 17 . 1 1 3 3 ILE N N 3 123.748 123.748 121.160 2.588 25037 4461 1 17 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.900 0.059 25037 4462 1 17 . 1 1 3 3 ILE CA C 3 65.293 65.293 64.206 1.087 25037 4463 1 17 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.310 0.793 25037 4464 1 17 . 1 1 3 3 ILE H H 3 8.721 8.721 8.593 0.128 25037 4465 1 17 . 1 1 4 4 SER N N 4 115.783 115.783 114.987 0.796 25037 4466 1 17 . 1 1 4 4 SER HA H 4 4.147 4.147 4.019 0.128 25037 4467 1 17 . 1 1 4 4 SER CA C 4 61.528 61.528 62.042 -0.514 25037 4468 1 17 . 1 1 4 4 SER CB C 4 62.284 62.284 62.962 -0.677 25037 4469 1 17 . 1 1 4 4 SER H H 4 8.386 8.386 8.717 -0.331 25037 4470 1 17 . 1 1 5 5 ASP N N 5 122.493 122.493 122.014 0.479 25037 4471 1 17 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.455 0.168 25037 4472 1 17 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.642 0.200 25037 4473 1 17 . 1 1 5 5 ASP H H 5 7.855 7.855 7.696 0.160 25037 4474 1 17 . 1 1 6 6 ILE N N 6 123.982 123.982 120.607 3.375 25037 4475 1 17 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.708 0.089 25037 4476 1 17 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.607 -0.835 25037 4477 1 17 . 1 1 6 6 ILE CB C 6 38.324 38.324 37.931 0.393 25037 4478 1 17 . 1 1 6 6 ILE H H 6 8.048 8.048 7.886 0.162 25037 4479 1 17 . 1 1 7 7 ARG N N 7 118.105 118.105 119.455 -1.350 25037 4480 1 17 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.151 -0.334 25037 4481 1 17 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.426 0.306 25037 4482 1 17 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.424 0.623 25037 4483 1 17 . 1 1 7 7 ARG H H 7 8.285 8.285 8.623 -0.338 25037 4484 1 17 . 1 1 8 8 ALA N N 8 118.807 118.807 120.787 -1.980 25037 4485 1 17 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.244 -0.121 25037 4486 1 17 . 1 1 8 8 ALA CA C 8 55.093 55.093 53.965 1.128 25037 4487 1 17 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.112 0.441 25037 4488 1 17 . 1 1 8 8 ALA H H 8 8.093 8.093 7.893 0.200 25037 4489 1 17 . 1 1 9 9 GLY N N 9 107.079 107.079 106.251 0.828 25037 4490 1 17 . 1 1 9 9 GLY CA C 9 47.084 47.084 45.882 1.202 25037 4491 1 17 . 1 1 9 9 GLY H H 9 8.358 8.358 7.568 0.790 25037 4492 1 17 . 1 1 10 10 LEU N N 10 121.077 121.077 122.459 -1.382 25037 4493 1 17 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.977 0.153 25037 4494 1 17 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.631 0.348 25037 4495 1 17 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.362 1.290 25037 4496 1 17 . 1 1 10 10 LEU H H 10 8.116 8.116 7.860 0.256 25037 4497 1 17 . 1 1 11 11 ARG N N 11 118.227 118.227 118.492 -0.265 25037 4498 1 17 . 1 1 11 11 ARG HA H 11 3.803 3.803 4.020 -0.217 25037 4499 1 17 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.544 0.881 25037 4500 1 17 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.336 0.985 25037 4501 1 17 . 1 1 11 11 ARG H H 11 8.472 8.472 8.364 0.108 25037 4502 1 17 . 1 1 12 12 THR N N 12 114.121 114.121 117.875 -3.754 25037 4503 1 17 . 1 1 12 12 THR HA H 12 3.965 3.965 4.054 -0.089 25037 4504 1 17 . 1 1 12 12 THR CA C 12 66.730 66.730 66.650 0.080 25037 4505 1 17 . 1 1 12 12 THR CB C 12 69.178 69.178 68.225 0.953 25037 4506 1 17 . 1 1 12 12 THR H H 12 8.180 8.180 7.740 0.440 25037 4507 1 17 . 1 1 13 13 LEU N N 13 119.606 119.606 120.885 -1.279 25037 4508 1 17 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.123 -0.023 25037 4509 1 17 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.243 -0.175 25037 4510 1 17 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.020 1.999 25037 4511 1 17 . 1 1 13 13 LEU H H 13 7.156 7.156 7.626 -0.470 25037 4512 1 17 . 1 1 14 14 VAL N N 14 117.777 117.777 114.461 3.316 25037 4513 1 17 . 1 1 14 14 VAL HA H 14 3.808 3.808 4.154 -0.346 25037 4514 1 17 . 1 1 14 14 VAL CA C 14 65.464 65.464 65.133 0.331 25037 4515 1 17 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.733 0.162 25037 4516 1 17 . 1 1 14 14 VAL H H 14 7.785 7.785 7.686 0.099 25037 4517 1 17 . 1 1 15 15 GLU N N 15 123.041 123.041 121.555 1.486 25037 4518 1 17 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.187 -0.118 25037 4519 1 17 . 1 1 15 15 GLU CA C 15 57.624 57.624 59.047 -1.423 25037 4520 1 17 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.432 -0.236 25037 4521 1 17 . 1 1 15 15 GLU H H 15 8.961 8.961 8.758 0.203 25037 4522 1 17 . 1 1 16 16 ASN N N 16 114.935 114.935 115.121 -0.186 25037 4523 1 17 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.871 -0.044 25037 4524 1 17 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.188 -0.662 25037 4525 1 17 . 1 1 16 16 ASN H H 16 7.863 7.863 7.934 -0.071 25037 4526 1 17 . 1 1 17 17 GLU N N 17 113.841 113.841 116.057 -2.216 25037 4527 1 17 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.983 0.087 25037 4528 1 17 . 1 1 17 17 GLU CA C 17 57.624 57.624 57.760 -0.136 25037 4529 1 17 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.497 1.647 25037 4530 1 17 . 1 1 17 17 GLU H H 17 8.008 8.008 7.863 0.145 25037 4531 1 17 . 1 1 18 18 GLU N N 18 117.787 117.787 116.561 1.226 25037 4532 1 17 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.230 0.080 25037 4533 1 17 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.717 -0.464 25037 4534 1 17 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.451 -0.073 25037 4535 1 17 . 1 1 18 18 GLU H H 18 8.517 8.517 8.547 -0.030 25037 4536 1 17 . 1 1 19 19 THR N N 19 110.292 110.292 111.275 -0.983 25037 4537 1 17 . 1 1 19 19 THR HA H 19 4.562 4.562 4.624 -0.062 25037 4538 1 17 . 1 1 19 19 THR CB C 19 68.196 68.196 69.770 -1.574 25037 4539 1 17 . 1 1 19 19 THR H H 19 7.457 7.457 7.408 0.049 25037 4540 1 17 . 1 1 20 20 THR N N 20 109.626 109.626 112.359 -2.733 25037 4541 1 17 . 1 1 20 20 THR HA H 20 4.633 4.633 4.883 -0.250 25037 4542 1 17 . 1 1 20 20 THR H H 20 8.188 8.188 8.155 0.033 25037 4543 1 17 . 1 1 21 21 PHE N N 21 118.935 118.935 121.709 -2.774 25037 4544 1 17 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.060 0.178 25037 4545 1 17 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.047 -1.780 25037 4546 1 17 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.592 -0.796 25037 4547 1 17 . 1 1 21 21 PHE H H 21 8.714 8.714 8.981 -0.267 25037 4548 1 17 . 1 1 22 22 LYS N N 22 116.962 116.962 118.968 -2.006 25037 4549 1 17 . 1 1 22 22 LYS HA H 22 3.881 3.881 4.010 -0.129 25037 4550 1 17 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.556 0.033 25037 4551 1 17 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.595 0.918 25037 4552 1 17 . 1 1 22 22 LYS H H 22 8.234 8.234 8.385 -0.151 25037 4553 1 17 . 1 1 23 23 GLN N N 23 121.042 121.042 119.327 1.715 25037 4554 1 17 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.120 -0.145 25037 4555 1 17 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.528 0.446 25037 4556 1 17 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.384 -0.444 25037 4557 1 17 . 1 1 23 23 GLN H H 23 7.859 7.859 7.432 0.427 25037 4558 1 17 . 1 1 24 24 ILE N N 24 118.125 118.125 119.876 -1.751 25037 4559 1 17 . 1 1 24 24 ILE HA H 24 2.842 2.842 2.819 0.023 25037 4560 1 17 . 1 1 24 24 ILE CA C 24 65.094 65.094 64.653 0.441 25037 4561 1 17 . 1 1 24 24 ILE CB C 24 37.778 37.778 36.902 0.876 25037 4562 1 17 . 1 1 24 24 ILE H H 24 7.871 7.871 8.212 -0.341 25037 4563 1 17 . 1 1 25 25 ALA N N 25 125.380 125.380 123.315 2.065 25037 4564 1 17 . 1 1 25 25 ALA HA H 25 3.855 3.855 3.974 -0.119 25037 4565 1 17 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.806 1.177 25037 4566 1 17 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.568 0.746 25037 4567 1 17 . 1 1 25 25 ALA H H 25 8.452 8.452 8.037 0.415 25037 4568 1 17 . 1 1 26 26 LEU N N 26 119.285 119.285 118.739 0.546 25037 4569 1 17 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.967 0.074 25037 4570 1 17 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.906 0.071 25037 4571 1 17 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.830 0.507 25037 4572 1 17 . 1 1 26 26 LEU H H 26 7.936 7.936 8.169 -0.233 25037 4573 1 17 . 1 1 27 27 GLU N N 27 115.748 115.748 118.161 -2.413 25037 4574 1 17 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.242 -0.033 25037 4575 1 17 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.567 -0.324 25037 4576 1 17 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.026 0.809 25037 4577 1 17 . 1 1 27 27 GLU H H 27 8.050 8.050 8.360 -0.310 25037 4578 1 17 . 1 1 28 28 SER N N 28 113.421 113.421 113.282 0.139 25037 4579 1 17 . 1 1 28 28 SER HA H 28 4.597 4.597 4.277 0.320 25037 4580 1 17 . 1 1 28 28 SER CB C 28 65.743 65.743 64.589 1.154 25037 4581 1 17 . 1 1 28 28 SER H H 28 8.476 8.476 8.214 0.262 25037 4582 1 17 . 1 1 29 29 GLY N N 29 112.001 112.001 110.750 1.251 25037 4583 1 17 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.231 0.662 25037 4584 1 17 . 1 1 29 29 GLY H H 29 8.074 8.074 8.014 0.060 25037 4585 1 17 . 1 1 30 30 LEU N N 30 120.750 120.750 119.972 0.778 25037 4586 1 17 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.479 0.130 25037 4587 1 17 . 1 1 30 30 LEU CB C 30 44.177 44.177 43.172 1.005 25037 4588 1 17 . 1 1 30 30 LEU H H 30 7.545 7.545 7.495 0.050 25037 4589 1 17 . 1 1 31 31 SER N N 31 113.993 113.993 114.730 -0.737 25037 4590 1 17 . 1 1 31 31 SER HA H 31 4.568 4.568 4.547 0.021 25037 4591 1 17 . 1 1 31 31 SER CB C 31 64.928 64.928 64.054 0.874 25037 4592 1 17 . 1 1 31 31 SER H H 31 8.326 8.326 8.252 0.074 25037 4593 1 17 . 1 1 32 32 THR HA H 32 3.606 3.606 4.104 -0.498 25037 4594 1 17 . 1 1 32 32 THR CA C 32 66.547 66.547 64.506 2.041 25037 4595 1 17 . 1 1 32 32 THR CB C 32 67.740 67.740 68.543 -0.803 25037 4596 1 17 . 1 1 33 33 GLY CA C 33 46.761 46.761 46.185 0.576 25037 4597 1 17 . 1 1 33 33 GLY H H 33 7.877 7.877 7.754 0.123 25037 4598 1 17 . 1 1 34 34 THR N N 34 121.948 121.948 119.750 2.198 25037 4599 1 17 . 1 1 34 34 THR HA H 34 3.737 3.737 4.143 -0.406 25037 4600 1 17 . 1 1 34 34 THR CA C 34 66.578 66.578 67.271 -0.693 25037 4601 1 17 . 1 1 34 34 THR CB C 34 67.956 67.956 68.646 -0.690 25037 4602 1 17 . 1 1 34 34 THR H H 34 7.877 7.877 7.535 0.342 25037 4603 1 17 . 1 1 35 35 ILE N N 35 120.301 120.301 120.628 -0.327 25037 4604 1 17 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.571 -0.372 25037 4605 1 17 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.676 -0.162 25037 4606 1 17 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.673 0.196 25037 4607 1 17 . 1 1 35 35 ILE H H 35 7.750 7.750 7.852 -0.102 25037 4608 1 17 . 1 1 36 36 SER N N 36 113.120 113.120 115.440 -2.320 25037 4609 1 17 . 1 1 36 36 SER HA H 36 3.535 3.535 4.280 -0.745 25037 4610 1 17 . 1 1 36 36 SER CA C 36 61.365 61.365 62.350 -0.985 25037 4611 1 17 . 1 1 36 36 SER CB C 36 62.114 62.114 62.596 -0.482 25037 4612 1 17 . 1 1 36 36 SER H H 36 8.322 8.322 7.970 0.352 25037 4613 1 17 . 1 1 37 37 SER N N 37 116.941 116.941 119.149 -2.208 25037 4614 1 17 . 1 1 37 37 SER HA H 37 4.196 4.196 4.193 0.003 25037 4615 1 17 . 1 1 37 37 SER CA C 37 61.201 61.201 61.451 -0.250 25037 4616 1 17 . 1 1 37 37 SER CB C 37 63.821 63.821 63.109 0.711 25037 4617 1 17 . 1 1 37 37 SER H H 37 8.096 8.096 7.963 0.133 25037 4618 1 17 . 1 1 38 38 PHE N N 38 123.225 123.225 123.802 -0.577 25037 4619 1 17 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.257 0.097 25037 4620 1 17 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.724 0.175 25037 4621 1 17 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.222 0.088 25037 4622 1 17 . 1 1 38 38 PHE H H 38 8.541 8.541 8.591 -0.050 25037 4623 1 17 . 1 1 39 39 ILE N N 39 121.189 121.189 119.253 1.936 25037 4624 1 17 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.540 -0.110 25037 4625 1 17 . 1 1 39 39 ILE CA C 39 65.804 65.804 65.331 0.473 25037 4626 1 17 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.703 0.155 25037 4627 1 17 . 1 1 39 39 ILE H H 39 8.619 8.619 8.963 -0.344 25037 4628 1 17 . 1 1 40 40 ASN N N 40 115.447 115.447 115.972 -0.525 25037 4629 1 17 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.500 0.148 25037 4630 1 17 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.751 0.492 25037 4631 1 17 . 1 1 40 40 ASN H H 40 7.547 7.547 7.834 -0.287 25037 4632 1 17 . 1 1 41 41 ASP N N 41 119.335 119.335 116.379 2.956 25037 4633 1 17 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.265 0.128 25037 4634 1 17 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.623 -1.092 25037 4635 1 17 . 1 1 41 41 ASP CB C 41 39.581 39.581 40.058 -0.477 25037 4636 1 17 . 1 1 41 41 ASP H H 41 7.933 7.933 7.843 0.090 25037 4637 1 17 . 1 1 42 42 LYS N N 42 117.025 117.025 116.437 0.588 25037 4638 1 17 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.312 0.208 25037 4639 1 17 . 1 1 42 42 LYS CB C 42 33.693 33.693 32.500 1.193 25037 4640 1 17 . 1 1 42 42 LYS H H 42 8.418 8.418 7.857 0.561 25037 4641 1 17 . 1 1 43 43 TYR N N 43 122.804 122.804 119.902 2.902 25037 4642 1 17 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.468 0.195 25037 4643 1 17 . 1 1 43 43 TYR CB C 43 38.132 38.132 39.841 -1.709 25037 4644 1 17 . 1 1 43 43 TYR H H 43 8.437 8.437 7.773 0.664 25037 4645 1 17 . 1 1 44 44 ASN CB C 44 38.647 38.647 40.136 -1.489 25037 4646 1 17 . 1 1 45 45 GLY CA C 45 45.034 45.034 46.156 -1.122 25037 4647 1 17 . 1 1 46 46 ASP CB C 46 40.065 40.065 42.057 -1.992 25037 4648 1 17 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.672 -0.152 25037 4649 1 17 . 1 1 47 47 ASN CA C 47 54.705 54.705 56.983 -2.278 25037 4650 1 17 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.082 2.180 25037 4651 1 17 . 1 1 47 47 ASN H H 47 8.291 8.291 8.937 -0.646 25037 4652 1 17 . 1 1 48 48 GLU N N 48 121.849 121.849 120.674 1.175 25037 4653 1 17 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.007 0.120 25037 4654 1 17 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.892 0.160 25037 4655 1 17 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.657 -0.502 25037 4656 1 17 . 1 1 48 48 GLU H H 48 8.695 8.695 8.684 0.011 25037 4657 1 17 . 1 1 49 49 ARG N N 49 120.467 120.467 119.556 0.911 25037 4658 1 17 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.059 0.046 25037 4659 1 17 . 1 1 49 49 ARG CA C 49 59.130 59.130 58.819 0.312 25037 4660 1 17 . 1 1 49 49 ARG CB C 49 30.078 30.078 29.188 0.890 25037 4661 1 17 . 1 1 49 49 ARG H H 49 7.958 7.958 7.646 0.312 25037 4662 1 17 . 1 1 50 50 VAL N N 50 119.496 119.496 118.827 0.669 25037 4663 1 17 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.429 -0.067 25037 4664 1 17 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.353 0.655 25037 4665 1 17 . 1 1 50 50 VAL CB C 50 31.759 31.759 30.847 0.912 25037 4666 1 17 . 1 1 50 50 VAL H H 50 7.767 7.767 8.418 -0.651 25037 4667 1 17 . 1 1 51 51 SER N N 51 114.856 114.856 115.807 -0.951 25037 4668 1 17 . 1 1 51 51 SER HA H 51 3.665 3.665 3.640 0.025 25037 4669 1 17 . 1 1 51 51 SER CA C 51 62.288 62.288 61.840 0.448 25037 4670 1 17 . 1 1 51 51 SER CB C 51 62.823 62.823 62.809 0.014 25037 4671 1 17 . 1 1 51 51 SER H H 51 8.296 8.296 8.468 -0.172 25037 4672 1 17 . 1 1 52 52 GLN N N 52 120.482 120.482 120.100 0.382 25037 4673 1 17 . 1 1 52 52 GLN HA H 52 4.167 4.167 3.996 0.171 25037 4674 1 17 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.758 0.421 25037 4675 1 17 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.030 0.411 25037 4676 1 17 . 1 1 52 52 GLN H H 52 8.012 8.012 8.492 -0.480 25037 4677 1 17 . 1 1 53 53 THR N N 53 117.745 117.745 117.575 0.170 25037 4678 1 17 . 1 1 53 53 THR HA H 53 3.981 3.981 4.109 -0.128 25037 4679 1 17 . 1 1 53 53 THR CA C 53 67.070 67.070 66.338 0.732 25037 4680 1 17 . 1 1 53 53 THR CB C 53 68.860 68.860 68.573 0.287 25037 4681 1 17 . 1 1 53 53 THR H H 53 7.960 7.960 7.671 0.289 25037 4682 1 17 . 1 1 54 54 LEU N N 54 122.166 122.166 122.256 -0.090 25037 4683 1 17 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.891 0.443 25037 4684 1 17 . 1 1 54 54 LEU CA C 54 57.483 57.483 58.223 -0.740 25037 4685 1 17 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.150 -0.070 25037 4686 1 17 . 1 1 54 54 LEU H H 54 8.376 8.376 8.147 0.229 25037 4687 1 17 . 1 1 55 55 GLN N N 55 122.381 122.381 118.393 3.988 25037 4688 1 17 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.886 0.174 25037 4689 1 17 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.822 -0.395 25037 4690 1 17 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.422 -0.874 25037 4691 1 17 . 1 1 55 55 GLN H H 55 9.086 9.086 8.679 0.407 25037 4692 1 17 . 1 1 56 56 ARG N N 56 117.595 117.595 119.058 -1.463 25037 4693 1 17 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.039 0.140 25037 4694 1 17 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.434 -1.986 25037 4695 1 17 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.072 0.120 25037 4696 1 17 . 1 1 56 56 ARG H H 56 7.690 7.690 7.574 0.116 25037 4697 1 17 . 1 1 57 57 TRP N N 57 120.743 120.743 122.106 -1.363 25037 4698 1 17 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.342 -0.246 25037 4699 1 17 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.305 -2.449 25037 4700 1 17 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.253 -0.696 25037 4701 1 17 . 1 1 57 57 TRP H H 57 7.754 7.754 7.647 0.107 25037 4702 1 17 . 1 1 58 58 LEU N N 58 121.472 121.472 119.226 2.246 25037 4703 1 17 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.553 0.127 25037 4704 1 17 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.235 -0.057 25037 4705 1 17 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.735 1.212 25037 4706 1 17 . 1 1 58 58 LEU H H 58 8.699 8.699 8.920 -0.221 25037 4707 1 17 . 1 1 59 59 GLU N N 59 117.216 117.216 118.357 -1.141 25037 4708 1 17 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.933 0.024 25037 4709 1 17 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.470 -0.635 25037 4710 1 17 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.667 0.157 25037 4711 1 17 . 1 1 59 59 GLU H H 59 8.301 8.301 8.054 0.247 25037 4712 1 17 . 1 1 60 60 LYS N N 60 118.414 118.414 117.508 0.906 25037 4713 1 17 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.047 -0.024 25037 4714 1 17 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.465 -0.581 25037 4715 1 17 . 1 1 60 60 LYS CB C 60 32.425 32.425 32.461 -0.036 25037 4716 1 17 . 1 1 60 60 LYS H H 60 7.499 7.499 7.633 -0.134 25037 4717 1 17 . 1 1 61 61 TYR N N 61 120.082 120.082 121.134 -1.052 25037 4718 1 17 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.996 -0.247 25037 4719 1 17 . 1 1 61 61 TYR CA C 61 59.050 59.050 61.016 -1.966 25037 4720 1 17 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.343 0.287 25037 4721 1 17 . 1 1 61 61 TYR H H 61 7.852 7.852 8.177 -0.325 25037 4722 1 17 . 1 1 62 62 HIS N N 62 117.180 117.180 115.584 1.596 25037 4723 1 17 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.390 0.112 25037 4724 1 17 . 1 1 62 62 HIS CA C 62 55.698 55.698 55.961 -0.263 25037 4725 1 17 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.123 0.112 25037 4726 1 17 . 1 1 62 62 HIS H H 62 7.600 7.600 8.087 -0.487 25037 4727 1 18 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.543 0.013 25037 4728 1 18 . 1 1 0 0 PRO CA C 0 63.199 63.199 63.011 0.188 25037 4729 1 18 . 1 1 0 0 PRO CB C 0 32.310 32.310 32.291 0.019 25037 4730 1 18 . 1 1 1 1 MET N N 1 122.140 122.140 121.332 0.808 25037 4731 1 18 . 1 1 1 1 MET HA H 1 4.507 4.507 4.670 -0.163 25037 4732 1 18 . 1 1 1 1 MET CB C 1 34.854 34.854 35.190 -0.336 25037 4733 1 18 . 1 1 1 1 MET H H 1 8.665 8.665 8.305 0.360 25037 4734 1 18 . 1 1 2 2 ASN N N 2 121.514 121.514 122.628 -1.114 25037 4735 1 18 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.706 0.101 25037 4736 1 18 . 1 1 2 2 ASN CB C 2 39.205 39.205 39.958 -0.753 25037 4737 1 18 . 1 1 2 2 ASN H H 2 8.927 8.927 8.743 0.184 25037 4738 1 18 . 1 1 3 3 ILE N N 3 123.748 123.748 122.113 1.635 25037 4739 1 18 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.783 0.176 25037 4740 1 18 . 1 1 3 3 ILE CA C 3 65.293 65.293 64.920 0.373 25037 4741 1 18 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.657 0.447 25037 4742 1 18 . 1 1 3 3 ILE H H 3 8.721 8.721 8.610 0.111 25037 4743 1 18 . 1 1 4 4 SER N N 4 115.783 115.783 114.712 1.071 25037 4744 1 18 . 1 1 4 4 SER HA H 4 4.147 4.147 4.064 0.083 25037 4745 1 18 . 1 1 4 4 SER CA C 4 61.528 61.528 61.734 -0.206 25037 4746 1 18 . 1 1 4 4 SER CB C 4 62.284 62.284 62.263 0.021 25037 4747 1 18 . 1 1 4 4 SER H H 4 8.386 8.386 8.481 -0.095 25037 4748 1 18 . 1 1 5 5 ASP N N 5 122.493 122.493 122.281 0.212 25037 4749 1 18 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.449 0.174 25037 4750 1 18 . 1 1 5 5 ASP CB C 5 40.842 40.842 41.050 -0.208 25037 4751 1 18 . 1 1 5 5 ASP H H 5 7.855 7.855 7.822 0.033 25037 4752 1 18 . 1 1 6 6 ILE N N 6 123.982 123.982 120.228 3.754 25037 4753 1 18 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.760 0.037 25037 4754 1 18 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.744 -0.972 25037 4755 1 18 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.066 0.258 25037 4756 1 18 . 1 1 6 6 ILE H H 6 8.048 8.048 7.866 0.182 25037 4757 1 18 . 1 1 7 7 ARG N N 7 118.105 118.105 119.234 -1.129 25037 4758 1 18 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.221 -0.404 25037 4759 1 18 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.271 0.461 25037 4760 1 18 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.497 0.550 25037 4761 1 18 . 1 1 7 7 ARG H H 7 8.285 8.285 8.397 -0.112 25037 4762 1 18 . 1 1 8 8 ALA N N 8 118.807 118.807 122.075 -3.268 25037 4763 1 18 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.099 0.024 25037 4764 1 18 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.942 0.151 25037 4765 1 18 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.057 0.496 25037 4766 1 18 . 1 1 8 8 ALA H H 8 8.093 8.093 7.927 0.166 25037 4767 1 18 . 1 1 9 9 GLY N N 9 107.079 107.079 106.324 0.755 25037 4768 1 18 . 1 1 9 9 GLY CA C 9 47.084 47.084 46.939 0.145 25037 4769 1 18 . 1 1 9 9 GLY H H 9 8.358 8.358 7.929 0.429 25037 4770 1 18 . 1 1 10 10 LEU N N 10 121.077 121.077 122.610 -1.533 25037 4771 1 18 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.978 0.151 25037 4772 1 18 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.484 0.495 25037 4773 1 18 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.422 1.230 25037 4774 1 18 . 1 1 10 10 LEU H H 10 8.116 8.116 7.405 0.711 25037 4775 1 18 . 1 1 11 11 ARG N N 11 118.227 118.227 118.705 -0.478 25037 4776 1 18 . 1 1 11 11 ARG HA H 11 3.803 3.803 3.941 -0.138 25037 4777 1 18 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.885 0.540 25037 4778 1 18 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.870 0.451 25037 4779 1 18 . 1 1 11 11 ARG H H 11 8.472 8.472 7.647 0.825 25037 4780 1 18 . 1 1 12 12 THR N N 12 114.121 114.121 116.879 -2.758 25037 4781 1 18 . 1 1 12 12 THR HA H 12 3.965 3.965 4.012 -0.047 25037 4782 1 18 . 1 1 12 12 THR CA C 12 66.730 66.730 66.727 0.003 25037 4783 1 18 . 1 1 12 12 THR CB C 12 69.178 69.178 68.317 0.861 25037 4784 1 18 . 1 1 12 12 THR H H 12 8.180 8.180 7.621 0.559 25037 4785 1 18 . 1 1 13 13 LEU N N 13 119.606 119.606 120.915 -1.309 25037 4786 1 18 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.130 -0.030 25037 4787 1 18 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.206 -0.138 25037 4788 1 18 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.288 1.731 25037 4789 1 18 . 1 1 13 13 LEU H H 13 7.156 7.156 7.833 -0.677 25037 4790 1 18 . 1 1 14 14 VAL N N 14 117.777 117.777 114.133 3.644 25037 4791 1 18 . 1 1 14 14 VAL HA H 14 3.808 3.808 3.890 -0.082 25037 4792 1 18 . 1 1 14 14 VAL CA C 14 65.464 65.464 65.124 0.340 25037 4793 1 18 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.620 0.275 25037 4794 1 18 . 1 1 14 14 VAL H H 14 7.785 7.785 7.937 -0.152 25037 4795 1 18 . 1 1 15 15 GLU N N 15 123.041 123.041 122.125 0.916 25037 4796 1 18 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.093 -0.024 25037 4797 1 18 . 1 1 15 15 GLU CA C 15 57.624 57.624 59.267 -1.643 25037 4798 1 18 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.334 -0.138 25037 4799 1 18 . 1 1 15 15 GLU H H 15 8.961 8.961 8.594 0.367 25037 4800 1 18 . 1 1 16 16 ASN N N 16 114.935 114.935 114.734 0.201 25037 4801 1 18 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.851 -0.024 25037 4802 1 18 . 1 1 16 16 ASN CB C 16 38.526 38.526 38.954 -0.428 25037 4803 1 18 . 1 1 16 16 ASN H H 16 7.863 7.863 7.756 0.107 25037 4804 1 18 . 1 1 17 17 GLU N N 17 113.841 113.841 115.162 -1.321 25037 4805 1 18 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.991 0.079 25037 4806 1 18 . 1 1 17 17 GLU CA C 17 57.624 57.624 57.930 -0.306 25037 4807 1 18 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.523 1.621 25037 4808 1 18 . 1 1 17 17 GLU H H 17 8.008 8.008 8.016 -0.008 25037 4809 1 18 . 1 1 18 18 GLU N N 18 117.787 117.787 116.556 1.231 25037 4810 1 18 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.147 0.163 25037 4811 1 18 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.776 -0.523 25037 4812 1 18 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.081 0.297 25037 4813 1 18 . 1 1 18 18 GLU H H 18 8.517 8.517 8.027 0.490 25037 4814 1 18 . 1 1 19 19 THR N N 19 110.292 110.292 111.020 -0.728 25037 4815 1 18 . 1 1 19 19 THR HA H 19 4.562 4.562 4.566 -0.004 25037 4816 1 18 . 1 1 19 19 THR CB C 19 68.196 68.196 70.731 -2.535 25037 4817 1 18 . 1 1 19 19 THR H H 19 7.457 7.457 7.399 0.058 25037 4818 1 18 . 1 1 20 20 THR N N 20 109.626 109.626 118.239 -8.613 25037 4819 1 18 . 1 1 20 20 THR HA H 20 4.633 4.633 4.756 -0.123 25037 4820 1 18 . 1 1 20 20 THR H H 20 8.188 8.188 8.318 -0.130 25037 4821 1 18 . 1 1 21 21 PHE N N 21 118.935 118.935 123.116 -4.181 25037 4822 1 18 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.028 0.210 25037 4823 1 18 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.019 -1.752 25037 4824 1 18 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.607 -0.811 25037 4825 1 18 . 1 1 21 21 PHE H H 21 8.714 8.714 8.705 0.009 25037 4826 1 18 . 1 1 22 22 LYS N N 22 116.962 116.962 119.450 -2.488 25037 4827 1 18 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.985 -0.104 25037 4828 1 18 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.599 -0.010 25037 4829 1 18 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.940 0.573 25037 4830 1 18 . 1 1 22 22 LYS H H 22 8.234 8.234 8.402 -0.168 25037 4831 1 18 . 1 1 23 23 GLN N N 23 121.042 121.042 119.197 1.845 25037 4832 1 18 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.088 -0.113 25037 4833 1 18 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.378 0.596 25037 4834 1 18 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.109 -0.169 25037 4835 1 18 . 1 1 23 23 GLN H H 23 7.859 7.859 7.678 0.181 25037 4836 1 18 . 1 1 24 24 ILE N N 24 118.125 118.125 119.970 -1.845 25037 4837 1 18 . 1 1 24 24 ILE HA H 24 2.842 2.842 2.857 -0.015 25037 4838 1 18 . 1 1 24 24 ILE CA C 24 65.094 65.094 64.548 0.546 25037 4839 1 18 . 1 1 24 24 ILE CB C 24 37.778 37.778 36.909 0.869 25037 4840 1 18 . 1 1 24 24 ILE H H 24 7.871 7.871 7.760 0.111 25037 4841 1 18 . 1 1 25 25 ALA N N 25 125.380 125.380 123.356 2.024 25037 4842 1 18 . 1 1 25 25 ALA HA H 25 3.855 3.855 3.977 -0.122 25037 4843 1 18 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.795 1.187 25037 4844 1 18 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.490 0.824 25037 4845 1 18 . 1 1 25 25 ALA H H 25 8.452 8.452 8.262 0.190 25037 4846 1 18 . 1 1 26 26 LEU N N 26 119.285 119.285 119.367 -0.082 25037 4847 1 18 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.923 0.118 25037 4848 1 18 . 1 1 26 26 LEU CA C 26 57.976 57.976 58.117 -0.141 25037 4849 1 18 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.839 0.498 25037 4850 1 18 . 1 1 26 26 LEU H H 26 7.936 7.936 8.045 -0.109 25037 4851 1 18 . 1 1 27 27 GLU N N 27 115.748 115.748 117.096 -1.348 25037 4852 1 18 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.200 0.009 25037 4853 1 18 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.640 -0.397 25037 4854 1 18 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.125 0.711 25037 4855 1 18 . 1 1 27 27 GLU H H 27 8.050 8.050 8.085 -0.035 25037 4856 1 18 . 1 1 28 28 SER N N 28 113.421 113.421 111.979 1.442 25037 4857 1 18 . 1 1 28 28 SER HA H 28 4.597 4.597 4.258 0.339 25037 4858 1 18 . 1 1 28 28 SER CB C 28 65.743 65.743 64.367 1.376 25037 4859 1 18 . 1 1 28 28 SER H H 28 8.476 8.476 8.003 0.473 25037 4860 1 18 . 1 1 29 29 GLY N N 29 112.001 112.001 110.732 1.269 25037 4861 1 18 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.077 0.817 25037 4862 1 18 . 1 1 29 29 GLY H H 29 8.074 8.074 7.890 0.184 25037 4863 1 18 . 1 1 30 30 LEU N N 30 120.750 120.750 120.387 0.363 25037 4864 1 18 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.401 0.208 25037 4865 1 18 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.846 1.331 25037 4866 1 18 . 1 1 30 30 LEU H H 30 7.545 7.545 7.461 0.084 25037 4867 1 18 . 1 1 31 31 SER N N 31 113.993 113.993 113.862 0.131 25037 4868 1 18 . 1 1 31 31 SER HA H 31 4.568 4.568 4.605 -0.037 25037 4869 1 18 . 1 1 31 31 SER CB C 31 64.928 64.928 64.428 0.500 25037 4870 1 18 . 1 1 31 31 SER H H 31 8.326 8.326 8.196 0.130 25037 4871 1 18 . 1 1 32 32 THR HA H 32 3.606 3.606 4.018 -0.412 25037 4872 1 18 . 1 1 32 32 THR CA C 32 66.547 66.547 66.566 -0.019 25037 4873 1 18 . 1 1 32 32 THR CB C 32 67.740 67.740 68.670 -0.930 25037 4874 1 18 . 1 1 33 33 GLY CA C 33 46.761 46.761 47.588 -0.827 25037 4875 1 18 . 1 1 33 33 GLY H H 33 7.877 7.877 8.254 -0.377 25037 4876 1 18 . 1 1 34 34 THR N N 34 121.948 121.948 120.033 1.915 25037 4877 1 18 . 1 1 34 34 THR HA H 34 3.737 3.737 4.136 -0.399 25037 4878 1 18 . 1 1 34 34 THR CA C 34 66.578 66.578 66.542 0.036 25037 4879 1 18 . 1 1 34 34 THR CB C 34 67.956 67.956 68.650 -0.694 25037 4880 1 18 . 1 1 34 34 THR H H 34 7.877 7.877 8.025 -0.148 25037 4881 1 18 . 1 1 35 35 ILE N N 35 120.301 120.301 121.638 -1.337 25037 4882 1 18 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.590 -0.391 25037 4883 1 18 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.870 -0.356 25037 4884 1 18 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.705 0.164 25037 4885 1 18 . 1 1 35 35 ILE H H 35 7.750 7.750 7.948 -0.198 25037 4886 1 18 . 1 1 36 36 SER N N 36 113.120 113.120 116.103 -2.983 25037 4887 1 18 . 1 1 36 36 SER HA H 36 3.535 3.535 4.331 -0.796 25037 4888 1 18 . 1 1 36 36 SER CA C 36 61.365 61.365 62.093 -0.728 25037 4889 1 18 . 1 1 36 36 SER CB C 36 62.114 62.114 62.428 -0.314 25037 4890 1 18 . 1 1 36 36 SER H H 36 8.322 8.322 8.046 0.276 25037 4891 1 18 . 1 1 37 37 SER N N 37 116.941 116.941 118.695 -1.754 25037 4892 1 18 . 1 1 37 37 SER HA H 37 4.196 4.196 4.268 -0.072 25037 4893 1 18 . 1 1 37 37 SER CA C 37 61.201 61.201 61.458 -0.257 25037 4894 1 18 . 1 1 37 37 SER CB C 37 63.821 63.821 62.870 0.951 25037 4895 1 18 . 1 1 37 37 SER H H 37 8.096 8.096 8.466 -0.370 25037 4896 1 18 . 1 1 38 38 PHE N N 38 123.225 123.225 124.326 -1.101 25037 4897 1 18 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.296 0.058 25037 4898 1 18 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.931 -0.032 25037 4899 1 18 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.167 0.143 25037 4900 1 18 . 1 1 38 38 PHE H H 38 8.541 8.541 8.466 0.075 25037 4901 1 18 . 1 1 39 39 ILE N N 39 121.189 121.189 119.342 1.847 25037 4902 1 18 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.608 -0.178 25037 4903 1 18 . 1 1 39 39 ILE CA C 39 65.804 65.804 64.910 0.894 25037 4904 1 18 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.898 -0.040 25037 4905 1 18 . 1 1 39 39 ILE H H 39 8.619 8.619 8.429 0.190 25037 4906 1 18 . 1 1 40 40 ASN N N 40 115.447 115.447 116.299 -0.852 25037 4907 1 18 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.605 0.043 25037 4908 1 18 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.762 0.481 25037 4909 1 18 . 1 1 40 40 ASN H H 40 7.547 7.547 8.209 -0.662 25037 4910 1 18 . 1 1 41 41 ASP N N 41 119.335 119.335 114.786 4.549 25037 4911 1 18 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.243 0.150 25037 4912 1 18 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.954 -1.423 25037 4913 1 18 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.059 0.522 25037 4914 1 18 . 1 1 41 41 ASP H H 41 7.933 7.933 7.791 0.142 25037 4915 1 18 . 1 1 42 42 LYS N N 42 117.025 117.025 116.087 0.938 25037 4916 1 18 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.300 0.220 25037 4917 1 18 . 1 1 42 42 LYS CB C 42 33.693 33.693 33.012 0.681 25037 4918 1 18 . 1 1 42 42 LYS H H 42 8.418 8.418 8.171 0.247 25037 4919 1 18 . 1 1 43 43 TYR N N 43 122.804 122.804 121.821 0.983 25037 4920 1 18 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.279 0.384 25037 4921 1 18 . 1 1 43 43 TYR CB C 43 38.132 38.132 39.135 -1.003 25037 4922 1 18 . 1 1 43 43 TYR H H 43 8.437 8.437 7.696 0.741 25037 4923 1 18 . 1 1 44 44 ASN CB C 44 38.647 38.647 41.301 -2.654 25037 4924 1 18 . 1 1 45 45 GLY CA C 45 45.034 45.034 44.635 0.399 25037 4925 1 18 . 1 1 46 46 ASP CB C 46 40.065 40.065 39.639 0.425 25037 4926 1 18 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.664 -0.144 25037 4927 1 18 . 1 1 47 47 ASN CA C 47 54.705 54.705 55.752 -1.047 25037 4928 1 18 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.489 1.773 25037 4929 1 18 . 1 1 47 47 ASN H H 47 8.291 8.291 8.918 -0.627 25037 4930 1 18 . 1 1 48 48 GLU N N 48 121.849 121.849 120.816 1.033 25037 4931 1 18 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.085 0.042 25037 4932 1 18 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.701 0.351 25037 4933 1 18 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.525 -0.370 25037 4934 1 18 . 1 1 48 48 GLU H H 48 8.695 8.695 8.965 -0.270 25037 4935 1 18 . 1 1 49 49 ARG N N 49 120.467 120.467 119.737 0.730 25037 4936 1 18 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.078 0.027 25037 4937 1 18 . 1 1 49 49 ARG CA C 49 59.130 59.130 59.291 -0.161 25037 4938 1 18 . 1 1 49 49 ARG CB C 49 30.078 30.078 30.188 -0.110 25037 4939 1 18 . 1 1 49 49 ARG H H 49 7.958 7.958 7.691 0.267 25037 4940 1 18 . 1 1 50 50 VAL N N 50 119.496 119.496 118.486 1.010 25037 4941 1 18 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.364 -0.002 25037 4942 1 18 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.042 0.966 25037 4943 1 18 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.249 0.510 25037 4944 1 18 . 1 1 50 50 VAL H H 50 7.767 7.767 7.447 0.320 25037 4945 1 18 . 1 1 51 51 SER N N 51 114.856 114.856 115.505 -0.649 25037 4946 1 18 . 1 1 51 51 SER HA H 51 3.665 3.665 3.866 -0.201 25037 4947 1 18 . 1 1 51 51 SER CA C 51 62.288 62.288 61.904 0.384 25037 4948 1 18 . 1 1 51 51 SER CB C 51 62.823 62.823 62.920 -0.097 25037 4949 1 18 . 1 1 51 51 SER H H 51 8.296 8.296 8.407 -0.111 25037 4950 1 18 . 1 1 52 52 GLN N N 52 120.482 120.482 120.986 -0.504 25037 4951 1 18 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.051 0.116 25037 4952 1 18 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.892 0.287 25037 4953 1 18 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.262 0.180 25037 4954 1 18 . 1 1 52 52 GLN H H 52 8.012 8.012 8.472 -0.460 25037 4955 1 18 . 1 1 53 53 THR N N 53 117.745 117.745 117.086 0.659 25037 4956 1 18 . 1 1 53 53 THR HA H 53 3.981 3.981 4.032 -0.051 25037 4957 1 18 . 1 1 53 53 THR CA C 53 67.070 67.070 66.735 0.335 25037 4958 1 18 . 1 1 53 53 THR CB C 53 68.860 68.860 68.698 0.162 25037 4959 1 18 . 1 1 53 53 THR H H 53 7.960 7.960 7.800 0.160 25037 4960 1 18 . 1 1 54 54 LEU N N 54 122.166 122.166 121.712 0.454 25037 4961 1 18 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.945 0.389 25037 4962 1 18 . 1 1 54 54 LEU CA C 54 57.483 57.483 58.098 -0.615 25037 4963 1 18 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.311 -0.231 25037 4964 1 18 . 1 1 54 54 LEU H H 54 8.376 8.376 7.830 0.546 25037 4965 1 18 . 1 1 55 55 GLN N N 55 122.381 122.381 118.812 3.569 25037 4966 1 18 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.915 0.145 25037 4967 1 18 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.866 -0.439 25037 4968 1 18 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.416 -0.868 25037 4969 1 18 . 1 1 55 55 GLN H H 55 9.086 9.086 8.561 0.525 25037 4970 1 18 . 1 1 56 56 ARG N N 56 117.595 117.595 118.535 -0.940 25037 4971 1 18 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.279 -0.100 25037 4972 1 18 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.208 -1.760 25037 4973 1 18 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.139 0.053 25037 4974 1 18 . 1 1 56 56 ARG H H 56 7.690 7.690 7.612 0.078 25037 4975 1 18 . 1 1 57 57 TRP N N 57 120.743 120.743 122.076 -1.333 25037 4976 1 18 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.402 -0.306 25037 4977 1 18 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.425 -2.569 25037 4978 1 18 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.223 -0.666 25037 4979 1 18 . 1 1 57 57 TRP H H 57 7.754 7.754 7.474 0.280 25037 4980 1 18 . 1 1 58 58 LEU N N 58 121.472 121.472 119.833 1.639 25037 4981 1 18 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.377 0.303 25037 4982 1 18 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.463 -0.285 25037 4983 1 18 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.735 1.212 25037 4984 1 18 . 1 1 58 58 LEU H H 58 8.699 8.699 8.988 -0.289 25037 4985 1 18 . 1 1 59 59 GLU N N 59 117.216 117.216 117.393 -0.177 25037 4986 1 18 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.923 0.034 25037 4987 1 18 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.589 -0.754 25037 4988 1 18 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.674 0.149 25037 4989 1 18 . 1 1 59 59 GLU H H 59 8.301 8.301 8.461 -0.160 25037 4990 1 18 . 1 1 60 60 LYS N N 60 118.414 118.414 115.717 2.697 25037 4991 1 18 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.114 -0.091 25037 4992 1 18 . 1 1 60 60 LYS CA C 60 57.884 57.884 57.911 -0.027 25037 4993 1 18 . 1 1 60 60 LYS CB C 60 32.425 32.425 32.385 0.040 25037 4994 1 18 . 1 1 60 60 LYS H H 60 7.499 7.499 7.467 0.032 25037 4995 1 18 . 1 1 61 61 TYR N N 61 120.082 120.082 122.122 -2.040 25037 4996 1 18 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.865 -0.116 25037 4997 1 18 . 1 1 61 61 TYR CA C 61 59.050 59.050 61.245 -2.196 25037 4998 1 18 . 1 1 61 61 TYR CB C 61 38.630 38.630 37.973 0.657 25037 4999 1 18 . 1 1 61 61 TYR H H 61 7.852 7.852 7.904 -0.052 25037 5000 1 18 . 1 1 62 62 HIS N N 62 117.180 117.180 114.823 2.357 25037 5001 1 18 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.486 0.016 25037 5002 1 18 . 1 1 62 62 HIS CA C 62 55.698 55.698 56.382 -0.684 25037 5003 1 18 . 1 1 62 62 HIS CB C 62 30.235 30.235 29.357 0.878 25037 5004 1 18 . 1 1 62 62 HIS H H 62 7.600 7.600 7.954 -0.354 25037 5005 1 19 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.481 0.075 25037 5006 1 19 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.803 0.396 25037 5007 1 19 . 1 1 0 0 PRO CB C 0 32.310 32.310 31.326 0.984 25037 5008 1 19 . 1 1 1 1 MET N N 1 122.140 122.140 123.694 -1.554 25037 5009 1 19 . 1 1 1 1 MET HA H 1 4.507 4.507 4.114 0.393 25037 5010 1 19 . 1 1 1 1 MET CB C 1 34.854 34.854 32.932 1.921 25037 5011 1 19 . 1 1 1 1 MET H H 1 8.665 8.665 8.070 0.595 25037 5012 1 19 . 1 1 2 2 ASN N N 2 121.514 121.514 121.707 -0.193 25037 5013 1 19 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.748 0.059 25037 5014 1 19 . 1 1 2 2 ASN CB C 2 39.205 39.205 39.676 -0.471 25037 5015 1 19 . 1 1 2 2 ASN H H 2 8.927 8.927 8.663 0.264 25037 5016 1 19 . 1 1 3 3 ILE N N 3 123.748 123.748 121.980 1.768 25037 5017 1 19 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.878 0.081 25037 5018 1 19 . 1 1 3 3 ILE CA C 3 65.293 65.293 65.526 -0.233 25037 5019 1 19 . 1 1 3 3 ILE CB C 3 38.104 38.104 38.016 0.088 25037 5020 1 19 . 1 1 3 3 ILE H H 3 8.721 8.721 8.677 0.044 25037 5021 1 19 . 1 1 4 4 SER N N 4 115.783 115.783 115.403 0.380 25037 5022 1 19 . 1 1 4 4 SER HA H 4 4.147 4.147 4.035 0.112 25037 5023 1 19 . 1 1 4 4 SER CA C 4 61.528 61.528 61.559 -0.031 25037 5024 1 19 . 1 1 4 4 SER CB C 4 62.284 62.284 62.441 -0.157 25037 5025 1 19 . 1 1 4 4 SER H H 4 8.386 8.386 8.505 -0.119 25037 5026 1 19 . 1 1 5 5 ASP N N 5 122.493 122.493 121.520 0.973 25037 5027 1 19 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.390 0.233 25037 5028 1 19 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.617 0.224 25037 5029 1 19 . 1 1 5 5 ASP H H 5 7.855 7.855 8.357 -0.502 25037 5030 1 19 . 1 1 6 6 ILE N N 6 123.982 123.982 119.527 4.455 25037 5031 1 19 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.726 0.071 25037 5032 1 19 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.688 -0.916 25037 5033 1 19 . 1 1 6 6 ILE CB C 6 38.324 38.324 37.984 0.340 25037 5034 1 19 . 1 1 6 6 ILE H H 6 8.048 8.048 8.475 -0.427 25037 5035 1 19 . 1 1 7 7 ARG N N 7 118.105 118.105 119.552 -1.447 25037 5036 1 19 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.139 -0.322 25037 5037 1 19 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.392 0.340 25037 5038 1 19 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.477 0.571 25037 5039 1 19 . 1 1 7 7 ARG H H 7 8.285 8.285 7.835 0.450 25037 5040 1 19 . 1 1 8 8 ALA N N 8 118.807 118.807 120.311 -1.504 25037 5041 1 19 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.250 -0.127 25037 5042 1 19 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.383 0.710 25037 5043 1 19 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.262 0.291 25037 5044 1 19 . 1 1 8 8 ALA H H 8 8.093 8.093 8.108 -0.015 25037 5045 1 19 . 1 1 9 9 GLY N N 9 107.079 107.079 107.017 0.062 25037 5046 1 19 . 1 1 9 9 GLY CA C 9 47.084 47.084 45.909 1.175 25037 5047 1 19 . 1 1 9 9 GLY H H 9 8.358 8.358 7.672 0.686 25037 5048 1 19 . 1 1 10 10 LEU N N 10 121.077 121.077 122.744 -1.667 25037 5049 1 19 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.993 0.138 25037 5050 1 19 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.683 0.296 25037 5051 1 19 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.531 1.121 25037 5052 1 19 . 1 1 10 10 LEU H H 10 8.116 8.116 7.911 0.205 25037 5053 1 19 . 1 1 11 11 ARG N N 11 118.227 118.227 117.901 0.326 25037 5054 1 19 . 1 1 11 11 ARG HA H 11 3.803 3.803 3.955 -0.152 25037 5055 1 19 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.651 0.774 25037 5056 1 19 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.064 1.257 25037 5057 1 19 . 1 1 11 11 ARG H H 11 8.472 8.472 7.851 0.621 25037 5058 1 19 . 1 1 12 12 THR N N 12 114.121 114.121 117.146 -3.025 25037 5059 1 19 . 1 1 12 12 THR HA H 12 3.965 3.965 4.052 -0.087 25037 5060 1 19 . 1 1 12 12 THR CA C 12 66.730 66.730 65.917 0.813 25037 5061 1 19 . 1 1 12 12 THR CB C 12 69.178 69.178 68.450 0.728 25037 5062 1 19 . 1 1 12 12 THR H H 12 8.180 8.180 7.679 0.501 25037 5063 1 19 . 1 1 13 13 LEU N N 13 119.606 119.606 120.640 -1.034 25037 5064 1 19 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.155 -0.055 25037 5065 1 19 . 1 1 13 13 LEU CA C 13 58.068 58.068 57.762 0.306 25037 5066 1 19 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.204 1.815 25037 5067 1 19 . 1 1 13 13 LEU H H 13 7.156 7.156 7.462 -0.306 25037 5068 1 19 . 1 1 14 14 VAL N N 14 117.777 117.777 114.917 2.860 25037 5069 1 19 . 1 1 14 14 VAL HA H 14 3.808 3.808 3.715 0.093 25037 5070 1 19 . 1 1 14 14 VAL CA C 14 65.464 65.464 65.298 0.166 25037 5071 1 19 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.351 0.544 25037 5072 1 19 . 1 1 14 14 VAL H H 14 7.785 7.785 7.752 0.033 25037 5073 1 19 . 1 1 15 15 GLU N N 15 123.041 123.041 120.484 2.557 25037 5074 1 19 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.128 -0.059 25037 5075 1 19 . 1 1 15 15 GLU CA C 15 57.624 57.624 58.936 -1.312 25037 5076 1 19 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.358 -0.162 25037 5077 1 19 . 1 1 15 15 GLU H H 15 8.961 8.961 8.656 0.305 25037 5078 1 19 . 1 1 16 16 ASN N N 16 114.935 114.935 115.106 -0.171 25037 5079 1 19 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.841 -0.014 25037 5080 1 19 . 1 1 16 16 ASN CB C 16 38.526 38.526 38.958 -0.432 25037 5081 1 19 . 1 1 16 16 ASN H H 16 7.863 7.863 7.688 0.175 25037 5082 1 19 . 1 1 17 17 GLU N N 17 113.841 113.841 116.109 -2.268 25037 5083 1 19 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.977 0.093 25037 5084 1 19 . 1 1 17 17 GLU CA C 17 57.624 57.624 58.112 -0.488 25037 5085 1 19 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.727 1.417 25037 5086 1 19 . 1 1 17 17 GLU H H 17 8.008 8.008 8.197 -0.189 25037 5087 1 19 . 1 1 18 18 GLU N N 18 117.787 117.787 115.560 2.227 25037 5088 1 19 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.054 0.256 25037 5089 1 19 . 1 1 18 18 GLU CA C 18 58.253 58.253 59.018 -0.765 25037 5090 1 19 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.261 0.117 25037 5091 1 19 . 1 1 18 18 GLU H H 18 8.517 8.517 7.929 0.588 25037 5092 1 19 . 1 1 19 19 THR N N 19 110.292 110.292 111.911 -1.619 25037 5093 1 19 . 1 1 19 19 THR HA H 19 4.562 4.562 4.579 -0.017 25037 5094 1 19 . 1 1 19 19 THR CB C 19 68.196 68.196 70.374 -2.178 25037 5095 1 19 . 1 1 19 19 THR H H 19 7.457 7.457 7.352 0.105 25037 5096 1 19 . 1 1 20 20 THR N N 20 109.626 109.626 119.487 -9.861 25037 5097 1 19 . 1 1 20 20 THR HA H 20 4.633 4.633 4.565 0.068 25037 5098 1 19 . 1 1 20 20 THR H H 20 8.188 8.188 8.310 -0.122 25037 5099 1 19 . 1 1 21 21 PHE N N 21 118.935 118.935 122.751 -3.816 25037 5100 1 19 . 1 1 21 21 PHE HA H 21 4.238 4.238 3.987 0.251 25037 5101 1 19 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.671 -2.404 25037 5102 1 19 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.396 -0.600 25037 5103 1 19 . 1 1 21 21 PHE H H 21 8.714 8.714 8.936 -0.222 25037 5104 1 19 . 1 1 22 22 LYS N N 22 116.962 116.962 117.922 -0.960 25037 5105 1 19 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.992 -0.111 25037 5106 1 19 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.590 -0.001 25037 5107 1 19 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.757 0.756 25037 5108 1 19 . 1 1 22 22 LYS H H 22 8.234 8.234 8.398 -0.164 25037 5109 1 19 . 1 1 23 23 GLN N N 23 121.042 121.042 119.692 1.350 25037 5110 1 19 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.154 -0.179 25037 5111 1 19 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.412 0.562 25037 5112 1 19 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.157 -0.217 25037 5113 1 19 . 1 1 23 23 GLN H H 23 7.859 7.859 7.704 0.155 25037 5114 1 19 . 1 1 24 24 ILE N N 24 118.125 118.125 119.932 -1.807 25037 5115 1 19 . 1 1 24 24 ILE HA H 24 2.842 2.842 2.890 -0.048 25037 5116 1 19 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.002 0.092 25037 5117 1 19 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.012 0.766 25037 5118 1 19 . 1 1 24 24 ILE H H 24 7.871 7.871 7.763 0.108 25037 5119 1 19 . 1 1 25 25 ALA N N 25 125.380 125.380 122.768 2.612 25037 5120 1 19 . 1 1 25 25 ALA HA H 25 3.855 3.855 4.007 -0.152 25037 5121 1 19 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.719 1.263 25037 5122 1 19 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.551 0.763 25037 5123 1 19 . 1 1 25 25 ALA H H 25 8.452 8.452 7.919 0.533 25037 5124 1 19 . 1 1 26 26 LEU N N 26 119.285 119.285 119.232 0.053 25037 5125 1 19 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.969 0.072 25037 5126 1 19 . 1 1 26 26 LEU CA C 26 57.976 57.976 58.056 -0.080 25037 5127 1 19 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.904 0.433 25037 5128 1 19 . 1 1 26 26 LEU H H 26 7.936 7.936 7.894 0.042 25037 5129 1 19 . 1 1 27 27 GLU N N 27 115.748 115.748 116.954 -1.206 25037 5130 1 19 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.248 -0.039 25037 5131 1 19 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.521 -0.278 25037 5132 1 19 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.262 0.574 25037 5133 1 19 . 1 1 27 27 GLU H H 27 8.050 8.050 8.281 -0.231 25037 5134 1 19 . 1 1 28 28 SER N N 28 113.421 113.421 112.041 1.380 25037 5135 1 19 . 1 1 28 28 SER HA H 28 4.597 4.597 4.335 0.262 25037 5136 1 19 . 1 1 28 28 SER CB C 28 65.743 65.743 64.565 1.178 25037 5137 1 19 . 1 1 28 28 SER H H 28 8.476 8.476 8.068 0.408 25037 5138 1 19 . 1 1 29 29 GLY N N 29 112.001 112.001 110.731 1.270 25037 5139 1 19 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.409 0.484 25037 5140 1 19 . 1 1 29 29 GLY H H 29 8.074 8.074 7.969 0.105 25037 5141 1 19 . 1 1 30 30 LEU N N 30 120.750 120.750 120.492 0.258 25037 5142 1 19 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.255 0.354 25037 5143 1 19 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.624 1.553 25037 5144 1 19 . 1 1 30 30 LEU H H 30 7.545 7.545 7.216 0.329 25037 5145 1 19 . 1 1 31 31 SER N N 31 113.993 113.993 113.740 0.253 25037 5146 1 19 . 1 1 31 31 SER HA H 31 4.568 4.568 4.684 -0.116 25037 5147 1 19 . 1 1 31 31 SER CB C 31 64.928 64.928 64.746 0.182 25037 5148 1 19 . 1 1 31 31 SER H H 31 8.326 8.326 8.011 0.315 25037 5149 1 19 . 1 1 32 32 THR HA H 32 3.606 3.606 4.099 -0.493 25037 5150 1 19 . 1 1 32 32 THR CA C 32 66.547 66.547 65.417 1.130 25037 5151 1 19 . 1 1 32 32 THR CB C 32 67.740 67.740 68.625 -0.885 25037 5152 1 19 . 1 1 33 33 GLY CA C 33 46.761 46.761 46.986 -0.225 25037 5153 1 19 . 1 1 33 33 GLY H H 33 7.877 7.877 8.609 -0.732 25037 5154 1 19 . 1 1 34 34 THR N N 34 121.948 121.948 119.705 2.243 25037 5155 1 19 . 1 1 34 34 THR HA H 34 3.737 3.737 3.972 -0.235 25037 5156 1 19 . 1 1 34 34 THR CA C 34 66.578 66.578 66.312 0.266 25037 5157 1 19 . 1 1 34 34 THR CB C 34 67.956 67.956 68.556 -0.600 25037 5158 1 19 . 1 1 34 34 THR H H 34 7.877 7.877 7.389 0.488 25037 5159 1 19 . 1 1 35 35 ILE N N 35 120.301 120.301 121.649 -1.348 25037 5160 1 19 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.503 -0.304 25037 5161 1 19 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.627 -0.114 25037 5162 1 19 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.573 0.296 25037 5163 1 19 . 1 1 35 35 ILE H H 35 7.750 7.750 7.390 0.360 25037 5164 1 19 . 1 1 36 36 SER N N 36 113.120 113.120 114.587 -1.467 25037 5165 1 19 . 1 1 36 36 SER HA H 36 3.535 3.535 4.070 -0.535 25037 5166 1 19 . 1 1 36 36 SER CA C 36 61.365 61.365 61.643 -0.278 25037 5167 1 19 . 1 1 36 36 SER CB C 36 62.114 62.114 62.814 -0.700 25037 5168 1 19 . 1 1 36 36 SER H H 36 8.322 8.322 7.934 0.388 25037 5169 1 19 . 1 1 37 37 SER N N 37 116.941 116.941 118.423 -1.482 25037 5170 1 19 . 1 1 37 37 SER HA H 37 4.196 4.196 4.203 -0.007 25037 5171 1 19 . 1 1 37 37 SER CA C 37 61.201 61.201 61.124 0.077 25037 5172 1 19 . 1 1 37 37 SER CB C 37 63.821 63.821 63.321 0.500 25037 5173 1 19 . 1 1 37 37 SER H H 37 8.096 8.096 7.800 0.296 25037 5174 1 19 . 1 1 38 38 PHE N N 38 123.225 123.225 124.207 -0.982 25037 5175 1 19 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.319 0.035 25037 5176 1 19 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.803 0.096 25037 5177 1 19 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.154 0.156 25037 5178 1 19 . 1 1 38 38 PHE H H 38 8.541 8.541 8.340 0.201 25037 5179 1 19 . 1 1 39 39 ILE N N 39 121.189 121.189 118.929 2.260 25037 5180 1 19 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.539 -0.109 25037 5181 1 19 . 1 1 39 39 ILE CA C 39 65.804 65.804 65.440 0.364 25037 5182 1 19 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.924 -0.066 25037 5183 1 19 . 1 1 39 39 ILE H H 39 8.619 8.619 8.569 0.050 25037 5184 1 19 . 1 1 40 40 ASN N N 40 115.447 115.447 114.737 0.710 25037 5185 1 19 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.669 -0.021 25037 5186 1 19 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.645 0.598 25037 5187 1 19 . 1 1 40 40 ASN H H 40 7.547 7.547 7.595 -0.048 25037 5188 1 19 . 1 1 41 41 ASP N N 41 119.335 119.335 116.032 3.303 25037 5189 1 19 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.196 0.197 25037 5190 1 19 . 1 1 41 41 ASP CA C 41 54.531 54.531 56.123 -1.592 25037 5191 1 19 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.140 0.441 25037 5192 1 19 . 1 1 41 41 ASP H H 41 7.933 7.933 8.120 -0.187 25037 5193 1 19 . 1 1 42 42 LYS N N 42 117.025 117.025 116.394 0.631 25037 5194 1 19 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.219 0.301 25037 5195 1 19 . 1 1 42 42 LYS CB C 42 33.693 33.693 32.461 1.232 25037 5196 1 19 . 1 1 42 42 LYS H H 42 8.418 8.418 7.832 0.586 25037 5197 1 19 . 1 1 43 43 TYR N N 43 122.804 122.804 121.177 1.627 25037 5198 1 19 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.313 0.350 25037 5199 1 19 . 1 1 43 43 TYR CB C 43 38.132 38.132 39.190 -1.058 25037 5200 1 19 . 1 1 43 43 TYR H H 43 8.437 8.437 7.725 0.712 25037 5201 1 19 . 1 1 44 44 ASN CB C 44 38.647 38.647 39.350 -0.703 25037 5202 1 19 . 1 1 45 45 GLY CA C 45 45.034 45.034 45.434 -0.400 25037 5203 1 19 . 1 1 46 46 ASP CB C 46 40.065 40.065 39.327 0.738 25037 5204 1 19 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.728 -0.208 25037 5205 1 19 . 1 1 47 47 ASN CA C 47 54.705 54.705 56.728 -2.023 25037 5206 1 19 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.514 1.748 25037 5207 1 19 . 1 1 47 47 ASN H H 47 8.291 8.291 9.041 -0.750 25037 5208 1 19 . 1 1 48 48 GLU N N 48 121.849 121.849 119.501 2.348 25037 5209 1 19 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.145 -0.018 25037 5210 1 19 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.284 0.768 25037 5211 1 19 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.135 0.020 25037 5212 1 19 . 1 1 48 48 GLU H H 48 8.695 8.695 9.065 -0.370 25037 5213 1 19 . 1 1 49 49 ARG N N 49 120.467 120.467 120.220 0.247 25037 5214 1 19 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.155 -0.050 25037 5215 1 19 . 1 1 49 49 ARG CA C 49 59.130 59.130 58.486 0.645 25037 5216 1 19 . 1 1 49 49 ARG CB C 49 30.078 30.078 29.962 0.116 25037 5217 1 19 . 1 1 49 49 ARG H H 49 7.958 7.958 7.576 0.382 25037 5218 1 19 . 1 1 50 50 VAL N N 50 119.496 119.496 119.436 0.060 25037 5219 1 19 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.417 -0.055 25037 5220 1 19 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.887 0.121 25037 5221 1 19 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.138 0.621 25037 5222 1 19 . 1 1 50 50 VAL H H 50 7.767 7.767 8.027 -0.260 25037 5223 1 19 . 1 1 51 51 SER N N 51 114.856 114.856 115.422 -0.566 25037 5224 1 19 . 1 1 51 51 SER HA H 51 3.665 3.665 3.693 -0.028 25037 5225 1 19 . 1 1 51 51 SER CA C 51 62.288 62.288 62.131 0.157 25037 5226 1 19 . 1 1 51 51 SER CB C 51 62.823 62.823 62.365 0.458 25037 5227 1 19 . 1 1 51 51 SER H H 51 8.296 8.296 8.398 -0.102 25037 5228 1 19 . 1 1 52 52 GLN N N 52 120.482 120.482 120.845 -0.363 25037 5229 1 19 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.107 0.060 25037 5230 1 19 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.377 0.802 25037 5231 1 19 . 1 1 52 52 GLN CB C 52 28.441 28.441 27.903 0.538 25037 5232 1 19 . 1 1 52 52 GLN H H 52 8.012 8.012 7.704 0.308 25037 5233 1 19 . 1 1 53 53 THR N N 53 117.745 117.745 117.440 0.305 25037 5234 1 19 . 1 1 53 53 THR HA H 53 3.981 3.981 4.091 -0.110 25037 5235 1 19 . 1 1 53 53 THR CA C 53 67.070 67.070 66.557 0.513 25037 5236 1 19 . 1 1 53 53 THR CB C 53 68.860 68.860 68.638 0.222 25037 5237 1 19 . 1 1 53 53 THR H H 53 7.960 7.960 7.578 0.382 25037 5238 1 19 . 1 1 54 54 LEU N N 54 122.166 122.166 122.154 0.012 25037 5239 1 19 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.840 0.494 25037 5240 1 19 . 1 1 54 54 LEU CA C 54 57.483 57.483 58.151 -0.668 25037 5241 1 19 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.217 -0.137 25037 5242 1 19 . 1 1 54 54 LEU H H 54 8.376 8.376 8.285 0.091 25037 5243 1 19 . 1 1 55 55 GLN N N 55 122.381 122.381 118.112 4.269 25037 5244 1 19 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.914 0.146 25037 5245 1 19 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.792 -0.366 25037 5246 1 19 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.278 -0.730 25037 5247 1 19 . 1 1 55 55 GLN H H 55 9.086 9.086 8.635 0.451 25037 5248 1 19 . 1 1 56 56 ARG N N 56 117.595 117.595 119.221 -1.626 25037 5249 1 19 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.050 0.129 25037 5250 1 19 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.424 -1.976 25037 5251 1 19 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.124 0.068 25037 5252 1 19 . 1 1 56 56 ARG H H 56 7.690 7.690 7.558 0.132 25037 5253 1 19 . 1 1 57 57 TRP N N 57 120.743 120.743 121.836 -1.093 25037 5254 1 19 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.408 -0.312 25037 5255 1 19 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.758 -2.902 25037 5256 1 19 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.273 -0.716 25037 5257 1 19 . 1 1 57 57 TRP H H 57 7.754 7.754 7.653 0.101 25037 5258 1 19 . 1 1 58 58 LEU N N 58 121.472 121.472 119.806 1.666 25037 5259 1 19 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.722 -0.042 25037 5260 1 19 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.215 -0.037 25037 5261 1 19 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.886 1.061 25037 5262 1 19 . 1 1 58 58 LEU H H 58 8.699 8.699 8.911 -0.212 25037 5263 1 19 . 1 1 59 59 GLU N N 59 117.216 117.216 119.394 -2.178 25037 5264 1 19 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.941 0.016 25037 5265 1 19 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.677 -0.842 25037 5266 1 19 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.352 0.472 25037 5267 1 19 . 1 1 59 59 GLU H H 59 8.301 8.301 8.647 -0.346 25037 5268 1 19 . 1 1 60 60 LYS N N 60 118.414 118.414 117.800 0.614 25037 5269 1 19 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.031 -0.008 25037 5270 1 19 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.762 -0.878 25037 5271 1 19 . 1 1 60 60 LYS CB C 60 32.425 32.425 31.875 0.550 25037 5272 1 19 . 1 1 60 60 LYS H H 60 7.499 7.499 7.780 -0.281 25037 5273 1 19 . 1 1 61 61 TYR N N 61 120.082 120.082 119.314 0.768 25037 5274 1 19 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.993 -0.244 25037 5275 1 19 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.614 -1.564 25037 5276 1 19 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.585 0.045 25037 5277 1 19 . 1 1 61 61 TYR H H 61 7.852 7.852 7.601 0.251 25037 5278 1 19 . 1 1 62 62 HIS N N 62 117.180 117.180 114.232 2.948 25037 5279 1 19 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.546 -0.044 25037 5280 1 19 . 1 1 62 62 HIS CA C 62 55.698 55.698 57.244 -1.546 25037 5281 1 19 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.951 -0.716 25037 5282 1 19 . 1 1 62 62 HIS H H 62 7.600 7.600 8.308 -0.708 25037 5283 1 20 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.479 0.077 25037 5284 1 20 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.971 0.228 25037 5285 1 20 . 1 1 0 0 PRO CB C 0 32.310 32.310 32.264 0.047 25037 5286 1 20 . 1 1 1 1 MET N N 1 122.140 122.140 117.838 4.302 25037 5287 1 20 . 1 1 1 1 MET HA H 1 4.507 4.507 4.774 -0.267 25037 5288 1 20 . 1 1 1 1 MET CB C 1 34.854 34.854 35.216 -0.362 25037 5289 1 20 . 1 1 1 1 MET H H 1 8.665 8.665 8.151 0.514 25037 5290 1 20 . 1 1 2 2 ASN N N 2 121.514 121.514 121.758 -0.244 25037 5291 1 20 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.724 0.083 25037 5292 1 20 . 1 1 2 2 ASN CB C 2 39.205 39.205 39.974 -0.769 25037 5293 1 20 . 1 1 2 2 ASN H H 2 8.927 8.927 8.584 0.343 25037 5294 1 20 . 1 1 3 3 ILE N N 3 123.748 123.748 122.413 1.335 25037 5295 1 20 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.750 0.209 25037 5296 1 20 . 1 1 3 3 ILE CA C 3 65.293 65.293 64.759 0.534 25037 5297 1 20 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.802 0.302 25037 5298 1 20 . 1 1 3 3 ILE H H 3 8.721 8.721 8.543 0.178 25037 5299 1 20 . 1 1 4 4 SER N N 4 115.783 115.783 114.129 1.654 25037 5300 1 20 . 1 1 4 4 SER HA H 4 4.147 4.147 4.050 0.097 25037 5301 1 20 . 1 1 4 4 SER CA C 4 61.528 61.528 61.673 -0.145 25037 5302 1 20 . 1 1 4 4 SER CB C 4 62.284 62.284 62.549 -0.265 25037 5303 1 20 . 1 1 4 4 SER H H 4 8.386 8.386 8.460 -0.074 25037 5304 1 20 . 1 1 5 5 ASP N N 5 122.493 122.493 122.723 -0.230 25037 5305 1 20 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.565 0.058 25037 5306 1 20 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.695 0.147 25037 5307 1 20 . 1 1 5 5 ASP H H 5 7.855 7.855 7.936 -0.081 25037 5308 1 20 . 1 1 6 6 ILE N N 6 123.982 123.982 120.422 3.560 25037 5309 1 20 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.747 0.050 25037 5310 1 20 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.507 -0.735 25037 5311 1 20 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.101 0.223 25037 5312 1 20 . 1 1 6 6 ILE H H 6 8.048 8.048 7.730 0.318 25037 5313 1 20 . 1 1 7 7 ARG N N 7 118.105 118.105 118.903 -0.798 25037 5314 1 20 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.101 -0.284 25037 5315 1 20 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.308 0.424 25037 5316 1 20 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.265 0.782 25037 5317 1 20 . 1 1 7 7 ARG H H 7 8.285 8.285 7.849 0.436 25037 5318 1 20 . 1 1 8 8 ALA N N 8 118.807 118.807 121.339 -2.532 25037 5319 1 20 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.160 -0.037 25037 5320 1 20 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.855 0.238 25037 5321 1 20 . 1 1 8 8 ALA CB C 8 18.553 18.553 17.857 0.696 25037 5322 1 20 . 1 1 8 8 ALA H H 8 8.093 8.093 7.503 0.590 25037 5323 1 20 . 1 1 9 9 GLY N N 9 107.079 107.079 107.375 -0.296 25037 5324 1 20 . 1 1 9 9 GLY CA C 9 47.084 47.084 47.084 0.000 25037 5325 1 20 . 1 1 9 9 GLY H H 9 8.358 8.358 7.722 0.636 25037 5326 1 20 . 1 1 10 10 LEU N N 10 121.077 121.077 121.856 -0.779 25037 5327 1 20 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.950 0.180 25037 5328 1 20 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.715 0.264 25037 5329 1 20 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.426 1.226 25037 5330 1 20 . 1 1 10 10 LEU H H 10 8.116 8.116 7.539 0.577 25037 5331 1 20 . 1 1 11 11 ARG N N 11 118.227 118.227 118.954 -0.727 25037 5332 1 20 . 1 1 11 11 ARG HA H 11 3.803 3.803 4.007 -0.204 25037 5333 1 20 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.827 0.598 25037 5334 1 20 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.945 0.376 25037 5335 1 20 . 1 1 11 11 ARG H H 11 8.472 8.472 7.798 0.674 25037 5336 1 20 . 1 1 12 12 THR N N 12 114.121 114.121 117.455 -3.334 25037 5337 1 20 . 1 1 12 12 THR HA H 12 3.965 3.965 4.025 -0.060 25037 5338 1 20 . 1 1 12 12 THR CA C 12 66.730 66.730 67.042 -0.312 25037 5339 1 20 . 1 1 12 12 THR CB C 12 69.178 69.178 68.404 0.774 25037 5340 1 20 . 1 1 12 12 THR H H 12 8.180 8.180 8.029 0.151 25037 5341 1 20 . 1 1 13 13 LEU N N 13 119.606 119.606 120.501 -0.895 25037 5342 1 20 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.020 0.080 25037 5343 1 20 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.092 -0.024 25037 5344 1 20 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.700 1.319 25037 5345 1 20 . 1 1 13 13 LEU H H 13 7.156 7.156 8.238 -1.082 25037 5346 1 20 . 1 1 14 14 VAL N N 14 117.777 117.777 115.561 2.216 25037 5347 1 20 . 1 1 14 14 VAL HA H 14 3.808 3.808 4.004 -0.196 25037 5348 1 20 . 1 1 14 14 VAL CA C 14 65.464 65.464 65.102 0.362 25037 5349 1 20 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.149 0.746 25037 5350 1 20 . 1 1 14 14 VAL H H 14 7.785 7.785 7.820 -0.035 25037 5351 1 20 . 1 1 15 15 GLU N N 15 123.041 123.041 120.710 2.331 25037 5352 1 20 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.128 -0.060 25037 5353 1 20 . 1 1 15 15 GLU CA C 15 57.624 57.624 58.931 -1.307 25037 5354 1 20 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.514 -0.318 25037 5355 1 20 . 1 1 15 15 GLU H H 15 8.961 8.961 8.502 0.459 25037 5356 1 20 . 1 1 16 16 ASN N N 16 114.935 114.935 115.337 -0.402 25037 5357 1 20 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.839 -0.012 25037 5358 1 20 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.137 -0.611 25037 5359 1 20 . 1 1 16 16 ASN H H 16 7.863 7.863 7.579 0.284 25037 5360 1 20 . 1 1 17 17 GLU N N 17 113.841 113.841 115.706 -1.865 25037 5361 1 20 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.941 0.129 25037 5362 1 20 . 1 1 17 17 GLU CA C 17 57.624 57.624 58.230 -0.606 25037 5363 1 20 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.442 1.702 25037 5364 1 20 . 1 1 17 17 GLU H H 17 8.008 8.008 7.936 0.072 25037 5365 1 20 . 1 1 18 18 GLU N N 18 117.787 117.787 116.615 1.172 25037 5366 1 20 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.205 0.105 25037 5367 1 20 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.648 -0.395 25037 5368 1 20 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.231 0.146 25037 5369 1 20 . 1 1 18 18 GLU H H 18 8.517 8.517 8.299 0.218 25037 5370 1 20 . 1 1 19 19 THR N N 19 110.292 110.292 111.766 -1.474 25037 5371 1 20 . 1 1 19 19 THR HA H 19 4.562 4.562 4.671 -0.109 25037 5372 1 20 . 1 1 19 19 THR CB C 19 68.196 68.196 71.222 -3.026 25037 5373 1 20 . 1 1 19 19 THR H H 19 7.457 7.457 7.390 0.067 25037 5374 1 20 . 1 1 20 20 THR N N 20 109.626 109.626 116.876 -7.250 25037 5375 1 20 . 1 1 20 20 THR HA H 20 4.633 4.633 4.552 0.081 25037 5376 1 20 . 1 1 20 20 THR H H 20 8.188 8.188 8.096 0.092 25037 5377 1 20 . 1 1 21 21 PHE N N 21 118.935 118.935 123.344 -4.409 25037 5378 1 20 . 1 1 21 21 PHE HA H 21 4.238 4.238 3.987 0.251 25037 5379 1 20 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.271 -2.004 25037 5380 1 20 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.060 -0.264 25037 5381 1 20 . 1 1 21 21 PHE H H 21 8.714 8.714 8.662 0.052 25037 5382 1 20 . 1 1 22 22 LYS N N 22 116.962 116.962 117.072 -0.110 25037 5383 1 20 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.927 -0.046 25037 5384 1 20 . 1 1 22 22 LYS CA C 22 59.589 59.589 60.241 -0.652 25037 5385 1 20 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.671 0.842 25037 5386 1 20 . 1 1 22 22 LYS H H 22 8.234 8.234 8.684 -0.450 25037 5387 1 20 . 1 1 23 23 GLN N N 23 121.042 121.042 119.194 1.848 25037 5388 1 20 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.182 -0.207 25037 5389 1 20 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.715 0.259 25037 5390 1 20 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.240 -0.300 25037 5391 1 20 . 1 1 23 23 GLN H H 23 7.859 7.859 7.580 0.279 25037 5392 1 20 . 1 1 24 24 ILE N N 24 118.125 118.125 120.467 -2.342 25037 5393 1 20 . 1 1 24 24 ILE HA H 24 2.842 2.842 2.947 -0.105 25037 5394 1 20 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.250 -0.156 25037 5395 1 20 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.073 0.705 25037 5396 1 20 . 1 1 24 24 ILE H H 24 7.871 7.871 8.327 -0.456 25037 5397 1 20 . 1 1 25 25 ALA N N 25 125.380 125.380 122.585 2.795 25037 5398 1 20 . 1 1 25 25 ALA HA H 25 3.855 3.855 4.013 -0.158 25037 5399 1 20 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.721 1.261 25037 5400 1 20 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.624 0.690 25037 5401 1 20 . 1 1 25 25 ALA H H 25 8.452 8.452 8.118 0.334 25037 5402 1 20 . 1 1 26 26 LEU N N 26 119.285 119.285 119.760 -0.475 25037 5403 1 20 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.916 0.125 25037 5404 1 20 . 1 1 26 26 LEU CA C 26 57.976 57.976 58.197 -0.221 25037 5405 1 20 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.914 0.423 25037 5406 1 20 . 1 1 26 26 LEU H H 26 7.936 7.936 8.035 -0.099 25037 5407 1 20 . 1 1 27 27 GLU N N 27 115.748 115.748 117.285 -1.537 25037 5408 1 20 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.156 0.053 25037 5409 1 20 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.731 -0.488 25037 5410 1 20 . 1 1 27 27 GLU CB C 27 30.836 30.836 29.811 1.025 25037 5411 1 20 . 1 1 27 27 GLU H H 27 8.050 8.050 8.615 -0.565 25037 5412 1 20 . 1 1 28 28 SER N N 28 113.421 113.421 111.566 1.855 25037 5413 1 20 . 1 1 28 28 SER HA H 28 4.597 4.597 4.370 0.227 25037 5414 1 20 . 1 1 28 28 SER CB C 28 65.743 65.743 64.501 1.242 25037 5415 1 20 . 1 1 28 28 SER H H 28 8.476 8.476 8.190 0.286 25037 5416 1 20 . 1 1 29 29 GLY N N 29 112.001 112.001 110.396 1.605 25037 5417 1 20 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.238 0.655 25037 5418 1 20 . 1 1 29 29 GLY H H 29 8.074 8.074 8.006 0.068 25037 5419 1 20 . 1 1 30 30 LEU N N 30 120.750 120.750 119.079 1.671 25037 5420 1 20 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.400 0.209 25037 5421 1 20 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.872 1.305 25037 5422 1 20 . 1 1 30 30 LEU H H 30 7.545 7.545 7.397 0.148 25037 5423 1 20 . 1 1 31 31 SER N N 31 113.993 113.993 114.647 -0.654 25037 5424 1 20 . 1 1 31 31 SER HA H 31 4.568 4.568 4.516 0.052 25037 5425 1 20 . 1 1 31 31 SER CB C 31 64.928 64.928 64.121 0.807 25037 5426 1 20 . 1 1 31 31 SER H H 31 8.326 8.326 8.359 -0.033 25037 5427 1 20 . 1 1 32 32 THR HA H 32 3.606 3.606 4.054 -0.448 25037 5428 1 20 . 1 1 32 32 THR CA C 32 66.547 66.547 64.780 1.767 25037 5429 1 20 . 1 1 32 32 THR CB C 32 67.740 67.740 68.585 -0.845 25037 5430 1 20 . 1 1 33 33 GLY CA C 33 46.761 46.761 47.178 -0.417 25037 5431 1 20 . 1 1 33 33 GLY H H 33 7.877 7.877 8.678 -0.801 25037 5432 1 20 . 1 1 34 34 THR N N 34 121.948 121.948 119.379 2.569 25037 5433 1 20 . 1 1 34 34 THR HA H 34 3.737 3.737 3.846 -0.109 25037 5434 1 20 . 1 1 34 34 THR CA C 34 66.578 66.578 66.389 0.189 25037 5435 1 20 . 1 1 34 34 THR CB C 34 67.956 67.956 68.515 -0.559 25037 5436 1 20 . 1 1 34 34 THR H H 34 7.877 7.877 7.096 0.781 25037 5437 1 20 . 1 1 35 35 ILE N N 35 120.301 120.301 121.663 -1.362 25037 5438 1 20 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.487 -0.288 25037 5439 1 20 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.583 -0.069 25037 5440 1 20 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.776 0.093 25037 5441 1 20 . 1 1 35 35 ILE H H 35 7.750 7.750 7.474 0.276 25037 5442 1 20 . 1 1 36 36 SER N N 36 113.120 113.120 114.516 -1.396 25037 5443 1 20 . 1 1 36 36 SER HA H 36 3.535 3.535 3.930 -0.395 25037 5444 1 20 . 1 1 36 36 SER CA C 36 61.365 61.365 61.767 -0.402 25037 5445 1 20 . 1 1 36 36 SER CB C 36 62.114 62.114 62.328 -0.214 25037 5446 1 20 . 1 1 36 36 SER H H 36 8.322 8.322 8.177 0.145 25037 5447 1 20 . 1 1 37 37 SER N N 37 116.941 116.941 117.931 -0.990 25037 5448 1 20 . 1 1 37 37 SER HA H 37 4.196 4.196 4.291 -0.095 25037 5449 1 20 . 1 1 37 37 SER CA C 37 61.201 61.201 61.085 0.116 25037 5450 1 20 . 1 1 37 37 SER CB C 37 63.821 63.821 63.233 0.588 25037 5451 1 20 . 1 1 37 37 SER H H 37 8.096 8.096 7.594 0.502 25037 5452 1 20 . 1 1 38 38 PHE N N 38 123.225 123.225 124.082 -0.857 25037 5453 1 20 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.269 0.085 25037 5454 1 20 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.607 0.292 25037 5455 1 20 . 1 1 38 38 PHE CB C 38 39.310 39.310 38.988 0.322 25037 5456 1 20 . 1 1 38 38 PHE H H 38 8.541 8.541 8.660 -0.119 25037 5457 1 20 . 1 1 39 39 ILE N N 39 121.189 121.189 119.361 1.828 25037 5458 1 20 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.365 0.065 25037 5459 1 20 . 1 1 39 39 ILE CA C 39 65.804 65.804 65.666 0.138 25037 5460 1 20 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.593 0.265 25037 5461 1 20 . 1 1 39 39 ILE H H 39 8.619 8.619 8.664 -0.045 25037 5462 1 20 . 1 1 40 40 ASN N N 40 115.447 115.447 115.415 0.032 25037 5463 1 20 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.651 -0.003 25037 5464 1 20 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.152 1.091 25037 5465 1 20 . 1 1 40 40 ASN H H 40 7.547 7.547 7.657 -0.110 25037 5466 1 20 . 1 1 41 41 ASP N N 41 119.335 119.335 117.713 1.622 25037 5467 1 20 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.380 0.013 25037 5468 1 20 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.585 -1.054 25037 5469 1 20 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.580 0.001 25037 5470 1 20 . 1 1 41 41 ASP H H 41 7.933 7.933 8.026 -0.093 25037 5471 1 20 . 1 1 42 42 LYS N N 42 117.025 117.025 115.228 1.797 25037 5472 1 20 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.432 0.088 25037 5473 1 20 . 1 1 42 42 LYS CB C 42 33.693 33.693 33.944 -0.251 25037 5474 1 20 . 1 1 42 42 LYS H H 42 8.418 8.418 8.211 0.207 25037 5475 1 20 . 1 1 43 43 TYR N N 43 122.804 122.804 121.843 0.961 25037 5476 1 20 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.342 0.321 25037 5477 1 20 . 1 1 43 43 TYR CB C 43 38.132 38.132 38.723 -0.591 25037 5478 1 20 . 1 1 43 43 TYR H H 43 8.437 8.437 7.537 0.900 25037 5479 1 20 . 1 1 44 44 ASN CB C 44 38.647 38.647 39.804 -1.157 25037 5480 1 20 . 1 1 45 45 GLY CA C 45 45.034 45.034 45.983 -0.949 25037 5481 1 20 . 1 1 46 46 ASP CB C 46 40.065 40.065 39.169 0.896 25037 5482 1 20 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.730 -0.210 25037 5483 1 20 . 1 1 47 47 ASN CA C 47 54.705 54.705 56.330 -1.625 25037 5484 1 20 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.916 1.346 25037 5485 1 20 . 1 1 47 47 ASN H H 47 8.291 8.291 8.547 -0.256 25037 5486 1 20 . 1 1 48 48 GLU N N 48 121.849 121.849 121.058 0.791 25037 5487 1 20 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.066 0.061 25037 5488 1 20 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.771 0.281 25037 5489 1 20 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.643 -0.488 25037 5490 1 20 . 1 1 48 48 GLU H H 48 8.695 8.695 8.702 -0.007 25037 5491 1 20 . 1 1 49 49 ARG N N 49 120.467 120.467 119.223 1.244 25037 5492 1 20 . 1 1 49 49 ARG HA H 49 4.105 4.105 3.987 0.118 25037 5493 1 20 . 1 1 49 49 ARG CA C 49 59.130 59.130 59.446 -0.316 25037 5494 1 20 . 1 1 49 49 ARG CB C 49 30.078 30.078 29.832 0.246 25037 5495 1 20 . 1 1 49 49 ARG H H 49 7.958 7.958 8.346 -0.388 25037 5496 1 20 . 1 1 50 50 VAL N N 50 119.496 119.496 118.169 1.327 25037 5497 1 20 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.376 -0.014 25037 5498 1 20 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.365 0.643 25037 5499 1 20 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.115 0.644 25037 5500 1 20 . 1 1 50 50 VAL H H 50 7.767 7.767 7.374 0.393 25037 5501 1 20 . 1 1 51 51 SER N N 51 114.856 114.856 115.946 -1.090 25037 5502 1 20 . 1 1 51 51 SER HA H 51 3.665 3.665 3.904 -0.239 25037 5503 1 20 . 1 1 51 51 SER CA C 51 62.288 62.288 61.803 0.485 25037 5504 1 20 . 1 1 51 51 SER CB C 51 62.823 62.823 62.999 -0.176 25037 5505 1 20 . 1 1 51 51 SER H H 51 8.296 8.296 8.361 -0.065 25037 5506 1 20 . 1 1 52 52 GLN N N 52 120.482 120.482 120.179 0.303 25037 5507 1 20 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.091 0.076 25037 5508 1 20 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.579 0.600 25037 5509 1 20 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.079 0.362 25037 5510 1 20 . 1 1 52 52 GLN H H 52 8.012 8.012 8.483 -0.471 25037 5511 1 20 . 1 1 53 53 THR N N 53 117.745 117.745 117.168 0.577 25037 5512 1 20 . 1 1 53 53 THR HA H 53 3.981 3.981 4.083 -0.102 25037 5513 1 20 . 1 1 53 53 THR CA C 53 67.070 67.070 66.399 0.671 25037 5514 1 20 . 1 1 53 53 THR CB C 53 68.860 68.860 68.544 0.316 25037 5515 1 20 . 1 1 53 53 THR H H 53 7.960 7.960 7.843 0.117 25037 5516 1 20 . 1 1 54 54 LEU N N 54 122.166 122.166 121.070 1.096 25037 5517 1 20 . 1 1 54 54 LEU HA H 54 4.334 4.334 4.010 0.324 25037 5518 1 20 . 1 1 54 54 LEU CA C 54 57.483 57.483 57.693 -0.210 25037 5519 1 20 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.128 -0.048 25037 5520 1 20 . 1 1 54 54 LEU H H 54 8.376 8.376 8.329 0.047 25037 5521 1 20 . 1 1 55 55 GLN N N 55 122.381 122.381 119.333 3.048 25037 5522 1 20 . 1 1 55 55 GLN HA H 55 4.060 4.060 4.052 0.008 25037 5523 1 20 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.778 -0.351 25037 5524 1 20 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.496 -0.948 25037 5525 1 20 . 1 1 55 55 GLN H H 55 9.086 9.086 8.420 0.666 25037 5526 1 20 . 1 1 56 56 ARG N N 56 117.595 117.595 118.720 -1.125 25037 5527 1 20 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.356 -0.177 25037 5528 1 20 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.256 -1.808 25037 5529 1 20 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.142 0.050 25037 5530 1 20 . 1 1 56 56 ARG H H 56 7.690 7.690 7.727 -0.037 25037 5531 1 20 . 1 1 57 57 TRP N N 57 120.743 120.743 121.443 -0.700 25037 5532 1 20 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.493 -0.397 25037 5533 1 20 . 1 1 57 57 TRP CA C 57 58.856 58.856 60.648 -1.792 25037 5534 1 20 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.511 -0.954 25037 5535 1 20 . 1 1 57 57 TRP H H 57 7.754 7.754 7.551 0.203 25037 5536 1 20 . 1 1 58 58 LEU N N 58 121.472 121.472 121.351 0.121 25037 5537 1 20 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.707 -0.027 25037 5538 1 20 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.055 0.123 25037 5539 1 20 . 1 1 58 58 LEU CB C 58 42.947 42.947 42.056 0.891 25037 5540 1 20 . 1 1 58 58 LEU H H 58 8.699 8.699 8.367 0.332 25037 5541 1 20 . 1 1 59 59 GLU N N 59 117.216 117.216 119.111 -1.895 25037 5542 1 20 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.850 0.107 25037 5543 1 20 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.639 -0.804 25037 5544 1 20 . 1 1 59 59 GLU CB C 59 29.824 29.824 28.960 0.864 25037 5545 1 20 . 1 1 59 59 GLU H H 59 8.301 8.301 8.632 -0.331 25037 5546 1 20 . 1 1 60 60 LYS N N 60 118.414 118.414 118.552 -0.138 25037 5547 1 20 . 1 1 60 60 LYS HA H 60 4.023 4.023 3.997 0.026 25037 5548 1 20 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.497 -0.613 25037 5549 1 20 . 1 1 60 60 LYS CB C 60 32.425 32.425 31.862 0.563 25037 5550 1 20 . 1 1 60 60 LYS H H 60 7.499 7.499 7.594 -0.095 25037 5551 1 20 . 1 1 61 61 TYR N N 61 120.082 120.082 120.012 0.070 25037 5552 1 20 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.867 -0.118 25037 5553 1 20 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.585 -1.535 25037 5554 1 20 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.183 0.447 25037 5555 1 20 . 1 1 61 61 TYR H H 61 7.852 7.852 7.520 0.332 25037 5556 1 20 . 1 1 62 62 HIS N N 62 117.180 117.180 115.860 1.320 25037 5557 1 20 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.324 0.178 25037 5558 1 20 . 1 1 62 62 HIS CA C 62 55.698 55.698 57.842 -2.144 25037 5559 1 20 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.821 -0.586 25037 5560 1 20 . 1 1 62 62 HIS H H 62 7.600 7.600 8.104 -0.504 25037 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 56 1.742 -0.137 1.753 25037 2 1 1 "Average Difference" HA 65 0.213 -0.000 0.215 25037 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25037 4 1 1 "Average Difference" CA 49 0.932 0.156 0.928 25037 5 1 1 "Average Difference" CB 58 0.772 -0.297 0.719 25037 6 1 1 "Average Difference" HN 58 0.349 -0.121 0.330 25037 7 1 2 "Average Difference" N 56 1.892 0.023 1.909 25037 8 1 2 "Average Difference" HA 65 0.219 -0.007 0.220 25037 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25037 10 1 2 "Average Difference" CA 49 0.982 0.302 0.944 25037 11 1 2 "Average Difference" CB 58 0.800 -0.244 0.768 25037 12 1 2 "Average Difference" HN 58 0.343 -0.053 0.342 25037 13 1 3 "Average Difference" N 56 2.147 -0.130 2.163 25037 14 1 3 "Average Difference" HA 65 0.239 0.032 0.239 25037 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25037 16 1 3 "Average Difference" CA 49 0.905 0.247 0.880 25037 17 1 3 "Average Difference" CB 58 0.786 -0.295 0.735 25037 18 1 3 "Average Difference" HN 58 0.386 -0.086 0.379 25037 19 1 4 "Average Difference" N 56 2.156 -0.044 2.175 25037 20 1 4 "Average Difference" HA 65 0.204 -0.011 0.205 25037 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25037 22 1 4 "Average Difference" CA 49 0.955 0.174 0.949 25037 23 1 4 "Average Difference" CB 58 0.755 -0.235 0.724 25037 24 1 4 "Average Difference" HN 58 0.383 -0.074 0.379 25037 25 1 5 "Average Difference" N 56 1.797 -0.133 1.808 25037 26 1 5 "Average Difference" HA 65 0.223 0.016 0.225 25037 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25037 28 1 5 "Average Difference" CA 49 0.821 0.157 0.815 25037 29 1 5 "Average Difference" CB 58 0.804 -0.134 0.799 25037 30 1 5 "Average Difference" HN 58 0.407 -0.114 0.394 25037 31 1 6 "Average Difference" N 56 1.889 -0.358 1.872 25037 32 1 6 "Average Difference" HA 65 0.215 0.008 0.217 25037 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25037 34 1 6 "Average Difference" CA 49 0.859 0.151 0.854 25037 35 1 6 "Average Difference" CB 58 0.821 -0.144 0.816 25037 36 1 6 "Average Difference" HN 58 0.409 -0.139 0.388 25037 37 1 7 "Average Difference" N 56 2.051 -0.161 2.063 25037 38 1 7 "Average Difference" HA 65 0.198 0.013 0.199 25037 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25037 40 1 7 "Average Difference" CA 49 0.961 0.103 0.965 25037 41 1 7 "Average Difference" CB 58 0.759 -0.247 0.724 25037 42 1 7 "Average Difference" HN 58 0.391 -0.135 0.370 25037 43 1 8 "Average Difference" N 56 2.154 -0.082 2.172 25037 44 1 8 "Average Difference" HA 65 0.244 0.010 0.245 25037 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25037 46 1 8 "Average Difference" CA 49 0.955 0.138 0.955 25037 47 1 8 "Average Difference" CB 58 0.932 -0.180 0.922 25037 48 1 8 "Average Difference" HN 58 0.357 -0.093 0.347 25037 49 1 9 "Average Difference" N 56 2.093 -0.034 2.112 25037 50 1 9 "Average Difference" HA 65 0.215 0.007 0.217 25037 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25037 52 1 9 "Average Difference" CA 49 0.908 0.151 0.904 25037 53 1 9 "Average Difference" CB 58 0.749 -0.184 0.733 25037 54 1 9 "Average Difference" HN 58 0.364 -0.023 0.366 25037 55 1 10 "Average Difference" N 56 2.010 0.047 2.028 25037 56 1 10 "Average Difference" HA 65 0.208 -0.006 0.209 25037 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25037 58 1 10 "Average Difference" CA 49 0.941 0.247 0.917 25037 59 1 10 "Average Difference" CB 58 0.811 -0.246 0.780 25037 60 1 10 "Average Difference" HN 58 0.388 -0.059 0.387 25037 61 1 11 "Average Difference" N 56 1.985 -0.030 2.003 25037 62 1 11 "Average Difference" HA 65 0.219 0.010 0.221 25037 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25037 64 1 11 "Average Difference" CA 49 0.920 0.221 0.902 25037 65 1 11 "Average Difference" CB 58 0.785 -0.252 0.750 25037 66 1 11 "Average Difference" HN 58 0.390 -0.055 0.389 25037 67 1 12 "Average Difference" N 56 1.938 -0.295 1.933 25037 68 1 12 "Average Difference" HA 65 0.221 0.015 0.222 25037 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25037 70 1 12 "Average Difference" CA 49 0.924 0.153 0.920 25037 71 1 12 "Average Difference" CB 58 0.795 -0.188 0.779 25037 72 1 12 "Average Difference" HN 58 0.407 -0.120 0.392 25037 73 1 13 "Average Difference" N 56 2.276 -0.363 2.267 25037 74 1 13 "Average Difference" HA 65 0.208 0.007 0.210 25037 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25037 76 1 13 "Average Difference" CA 49 0.897 0.175 0.889 25037 77 1 13 "Average Difference" CB 58 0.757 -0.215 0.732 25037 78 1 13 "Average Difference" HN 58 0.378 -0.126 0.359 25037 79 1 14 "Average Difference" N 56 1.904 -0.074 1.920 25037 80 1 14 "Average Difference" HA 65 0.219 0.001 0.221 25037 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25037 82 1 14 "Average Difference" CA 49 0.968 0.244 0.947 25037 83 1 14 "Average Difference" CB 58 0.898 -0.354 0.833 25037 84 1 14 "Average Difference" HN 58 0.387 -0.086 0.381 25037 85 1 15 "Average Difference" N 56 2.085 -0.272 2.086 25037 86 1 15 "Average Difference" HA 65 0.199 0.017 0.200 25037 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25037 88 1 15 "Average Difference" CA 49 0.943 0.114 0.946 25037 89 1 15 "Average Difference" CB 58 0.783 -0.296 0.731 25037 90 1 15 "Average Difference" HN 58 0.324 -0.105 0.309 25037 91 1 16 "Average Difference" N 56 1.733 -0.027 1.749 25037 92 1 16 "Average Difference" HA 65 0.241 -0.007 0.243 25037 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25037 94 1 16 "Average Difference" CA 49 0.861 0.221 0.841 25037 95 1 16 "Average Difference" CB 58 0.849 -0.312 0.797 25037 96 1 16 "Average Difference" HN 58 0.416 -0.062 0.415 25037 97 1 17 "Average Difference" N 56 1.891 -0.223 1.895 25037 98 1 17 "Average Difference" HA 65 0.225 0.022 0.226 25037 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25037 100 1 17 "Average Difference" CA 49 0.956 0.134 0.956 25037 101 1 17 "Average Difference" CB 58 0.968 -0.121 0.969 25037 102 1 17 "Average Difference" HN 58 0.313 -0.023 0.315 25037 103 1 18 "Average Difference" N 56 2.159 0.003 2.178 25037 104 1 18 "Average Difference" HA 65 0.223 -0.009 0.225 25037 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25037 106 1 18 "Average Difference" CA 49 0.836 0.220 0.815 25037 107 1 18 "Average Difference" CB 58 0.858 -0.182 0.846 25037 108 1 18 "Average Difference" HN 58 0.336 -0.073 0.331 25037 109 1 19 "Average Difference" N 56 2.229 -0.064 2.248 25037 110 1 19 "Average Difference" HA 65 0.220 -0.005 0.222 25037 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25037 112 1 19 "Average Difference" CA 49 0.955 0.196 0.944 25037 113 1 19 "Average Difference" CB 58 0.824 -0.293 0.777 25037 114 1 19 "Average Difference" HN 58 0.371 -0.094 0.362 25037 115 1 20 "Average Difference" N 56 1.980 -0.092 1.996 25037 116 1 20 "Average Difference" HA 65 0.196 -0.005 0.197 25037 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25037 118 1 20 "Average Difference" CA 49 0.850 0.225 0.828 25037 119 1 20 "Average Difference" CB 58 0.814 -0.203 0.795 25037 120 1 20 "Average Difference" HN 58 0.395 -0.094 0.386 25037 stop_ save_ save_delta_chem_shifts_average _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average _Entity_delta_chem_shifts.Model_type average _Entity_delta_chem_shifts.Entry_ID 25037 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 0 0 PRO HA H 0 4.556 4.556 4.573 -0.017 25037 2 1 . 1 1 0 0 PRO CA C 0 63.199 63.199 62.840 0.359 25037 3 1 . 1 1 0 0 PRO CB C 0 32.310 32.310 32.126 0.184 25037 4 1 . 1 1 1 1 MET N N 1 122.140 122.140 120.250 1.890 25037 5 1 . 1 1 1 1 MET HA H 1 4.507 4.507 4.532 -0.025 25037 6 1 . 1 1 1 1 MET CB C 1 34.854 34.854 34.428 0.426 25037 7 1 . 1 1 1 1 MET H H 1 8.665 8.665 8.139 0.526 25037 8 1 . 1 1 2 2 ASN N N 2 121.514 121.514 120.541 0.973 25037 9 1 . 1 1 2 2 ASN HA H 2 4.807 4.807 4.866 -0.059 25037 10 1 . 1 1 2 2 ASN CB C 2 39.205 39.205 40.344 -1.138 25037 11 1 . 1 1 2 2 ASN H H 2 8.927 8.927 8.597 0.330 25037 12 1 . 1 1 3 3 ILE N N 3 123.748 123.748 121.574 2.174 25037 13 1 . 1 1 3 3 ILE HA H 3 3.959 3.959 3.843 0.116 25037 14 1 . 1 1 3 3 ILE CA C 3 65.293 65.293 65.065 0.228 25037 15 1 . 1 1 3 3 ILE CB C 3 38.104 38.104 37.711 0.393 25037 16 1 . 1 1 3 3 ILE H H 3 8.721 8.721 8.648 0.073 25037 17 1 . 1 1 4 4 SER N N 4 115.783 115.783 114.796 0.987 25037 18 1 . 1 1 4 4 SER HA H 4 4.147 4.147 4.041 0.106 25037 19 1 . 1 1 4 4 SER CA C 4 61.528 61.528 61.697 -0.169 25037 20 1 . 1 1 4 4 SER CB C 4 62.284 62.284 62.531 -0.247 25037 21 1 . 1 1 4 4 SER H H 4 8.386 8.386 8.476 -0.090 25037 22 1 . 1 1 5 5 ASP N N 5 122.493 122.493 122.405 0.088 25037 23 1 . 1 1 5 5 ASP HA H 5 4.623 4.623 4.496 0.127 25037 24 1 . 1 1 5 5 ASP CB C 5 40.842 40.842 40.728 0.113 25037 25 1 . 1 1 5 5 ASP H H 5 7.855 7.855 7.872 -0.017 25037 26 1 . 1 1 6 6 ILE N N 6 123.982 123.982 120.170 3.812 25037 27 1 . 1 1 6 6 ILE HA H 6 3.797 3.797 3.748 0.049 25037 28 1 . 1 1 6 6 ILE CA C 6 64.772 64.772 65.572 -0.800 25037 29 1 . 1 1 6 6 ILE CB C 6 38.324 38.324 38.071 0.253 25037 30 1 . 1 1 6 6 ILE H H 6 8.048 8.048 7.989 0.059 25037 31 1 . 1 1 7 7 ARG N N 7 118.105 118.105 119.312 -1.207 25037 32 1 . 1 1 7 7 ARG HA H 7 3.817 3.817 4.182 -0.365 25037 33 1 . 1 1 7 7 ARG CA C 7 59.732 59.732 59.321 0.411 25037 34 1 . 1 1 7 7 ARG CB C 7 30.047 30.047 29.477 0.570 25037 35 1 . 1 1 7 7 ARG H H 7 8.285 8.285 8.206 0.079 25037 36 1 . 1 1 8 8 ALA N N 8 118.807 118.807 121.367 -2.560 25037 37 1 . 1 1 8 8 ALA HA H 8 4.123 4.123 4.174 -0.051 25037 38 1 . 1 1 8 8 ALA CA C 8 55.093 55.093 54.562 0.531 25037 39 1 . 1 1 8 8 ALA CB C 8 18.553 18.553 18.142 0.411 25037 40 1 . 1 1 8 8 ALA H H 8 8.093 8.093 7.818 0.275 25037 41 1 . 1 1 9 9 GLY N N 9 107.079 107.079 106.736 0.343 25037 42 1 . 1 1 9 9 GLY CA C 9 47.084 47.084 46.514 0.570 25037 43 1 . 1 1 9 9 GLY H H 9 8.358 8.358 7.795 0.563 25037 44 1 . 1 1 10 10 LEU N N 10 121.077 121.077 122.097 -1.020 25037 45 1 . 1 1 10 10 LEU HA H 10 4.130 4.130 3.956 0.173 25037 46 1 . 1 1 10 10 LEU CA C 10 57.979 57.979 57.620 0.359 25037 47 1 . 1 1 10 10 LEU CB C 10 42.652 42.652 41.477 1.175 25037 48 1 . 1 1 10 10 LEU H H 10 8.116 8.116 7.655 0.461 25037 49 1 . 1 1 11 11 ARG N N 11 118.227 118.227 118.463 -0.236 25037 50 1 . 1 1 11 11 ARG HA H 11 3.803 3.803 3.996 -0.193 25037 51 1 . 1 1 11 11 ARG CA C 11 60.425 60.425 59.578 0.847 25037 52 1 . 1 1 11 11 ARG CB C 11 30.321 30.321 29.476 0.845 25037 53 1 . 1 1 11 11 ARG H H 11 8.472 8.472 7.893 0.579 25037 54 1 . 1 1 12 12 THR N N 12 114.121 114.121 117.347 -3.226 25037 55 1 . 1 1 12 12 THR HA H 12 3.965 3.965 4.028 -0.063 25037 56 1 . 1 1 12 12 THR CA C 12 66.730 66.730 66.445 0.285 25037 57 1 . 1 1 12 12 THR CB C 12 69.178 69.178 68.448 0.730 25037 58 1 . 1 1 12 12 THR H H 12 8.180 8.180 7.698 0.482 25037 59 1 . 1 1 13 13 LEU N N 13 119.606 119.606 120.917 -1.311 25037 60 1 . 1 1 13 13 LEU HA H 13 4.100 4.100 4.109 -0.009 25037 61 1 . 1 1 13 13 LEU CA C 13 58.068 58.068 58.091 -0.023 25037 62 1 . 1 1 13 13 LEU CB C 13 43.019 43.019 41.392 1.627 25037 63 1 . 1 1 13 13 LEU H H 13 7.156 7.156 7.851 -0.695 25037 64 1 . 1 1 14 14 VAL N N 14 117.777 117.777 114.919 2.858 25037 65 1 . 1 1 14 14 VAL HA H 14 3.808 3.808 3.984 -0.176 25037 66 1 . 1 1 14 14 VAL CA C 14 65.464 65.464 65.053 0.411 25037 67 1 . 1 1 14 14 VAL CB C 14 31.895 31.895 31.247 0.648 25037 68 1 . 1 1 14 14 VAL H H 14 7.785 7.785 7.817 -0.032 25037 69 1 . 1 1 15 15 GLU N N 15 123.041 123.041 121.347 1.694 25037 70 1 . 1 1 15 15 GLU HA H 15 4.069 4.069 4.112 -0.043 25037 71 1 . 1 1 15 15 GLU CA C 15 57.624 57.624 59.040 -1.416 25037 72 1 . 1 1 15 15 GLU CB C 15 29.196 29.196 29.340 -0.145 25037 73 1 . 1 1 15 15 GLU H H 15 8.961 8.961 8.487 0.474 25037 74 1 . 1 1 16 16 ASN N N 16 114.935 114.935 114.979 -0.044 25037 75 1 . 1 1 16 16 ASN HA H 16 4.827 4.827 4.851 -0.024 25037 76 1 . 1 1 16 16 ASN CB C 16 38.526 38.526 39.085 -0.559 25037 77 1 . 1 1 16 16 ASN H H 16 7.863 7.863 7.739 0.124 25037 78 1 . 1 1 17 17 GLU N N 17 113.841 113.841 115.609 -1.768 25037 79 1 . 1 1 17 17 GLU HA H 17 4.070 4.070 3.972 0.098 25037 80 1 . 1 1 17 17 GLU CA C 17 57.624 57.624 57.926 -0.302 25037 81 1 . 1 1 17 17 GLU CB C 17 29.144 29.144 27.430 1.714 25037 82 1 . 1 1 17 17 GLU H H 17 8.008 8.008 7.951 0.057 25037 83 1 . 1 1 18 18 GLU N N 18 117.787 117.787 116.363 1.424 25037 84 1 . 1 1 18 18 GLU HA H 18 4.310 4.310 4.149 0.161 25037 85 1 . 1 1 18 18 GLU CA C 18 58.253 58.253 58.573 -0.320 25037 86 1 . 1 1 18 18 GLU CB C 18 30.377 30.377 30.287 0.090 25037 87 1 . 1 1 18 18 GLU H H 18 8.517 8.517 8.211 0.306 25037 88 1 . 1 1 19 19 THR N N 19 110.292 110.292 111.021 -0.729 25037 89 1 . 1 1 19 19 THR HA H 19 4.562 4.562 4.613 -0.051 25037 90 1 . 1 1 19 19 THR CB C 19 68.196 68.196 70.198 -2.002 25037 91 1 . 1 1 19 19 THR H H 19 7.457 7.457 7.390 0.067 25037 92 1 . 1 1 20 20 THR N N 20 109.626 109.626 115.605 -5.979 25037 93 1 . 1 1 20 20 THR HA H 20 4.633 4.633 4.632 0.001 25037 94 1 . 1 1 20 20 THR H H 20 8.188 8.188 8.226 -0.038 25037 95 1 . 1 1 21 21 PHE N N 21 118.935 118.935 122.884 -3.949 25037 96 1 . 1 1 21 21 PHE HA H 21 4.238 4.238 4.029 0.209 25037 97 1 . 1 1 21 21 PHE CA C 21 60.267 60.267 62.388 -2.121 25037 98 1 . 1 1 21 21 PHE CB C 21 37.796 37.796 38.403 -0.607 25037 99 1 . 1 1 21 21 PHE H H 21 8.714 8.714 8.716 -0.002 25037 100 1 . 1 1 22 22 LYS N N 22 116.962 116.962 118.297 -1.335 25037 101 1 . 1 1 22 22 LYS HA H 22 3.881 3.881 3.966 -0.085 25037 102 1 . 1 1 22 22 LYS CA C 22 59.589 59.589 59.798 -0.209 25037 103 1 . 1 1 22 22 LYS CB C 22 32.513 32.513 31.758 0.755 25037 104 1 . 1 1 22 22 LYS H H 22 8.234 8.234 8.434 -0.200 25037 105 1 . 1 1 23 23 GLN N N 23 121.042 121.042 119.486 1.556 25037 106 1 . 1 1 23 23 GLN HA H 23 3.975 3.975 4.140 -0.165 25037 107 1 . 1 1 23 23 GLN CA C 23 58.974 58.974 58.535 0.439 25037 108 1 . 1 1 23 23 GLN CB C 23 27.940 27.940 28.197 -0.257 25037 109 1 . 1 1 23 23 GLN H H 23 7.859 7.859 7.633 0.226 25037 110 1 . 1 1 24 24 ILE N N 24 118.125 118.125 120.114 -1.989 25037 111 1 . 1 1 24 24 ILE HA H 24 2.842 2.842 3.127 -0.285 25037 112 1 . 1 1 24 24 ILE CA C 24 65.094 65.094 65.054 0.040 25037 113 1 . 1 1 24 24 ILE CB C 24 37.778 37.778 37.120 0.658 25037 114 1 . 1 1 24 24 ILE H H 24 7.871 7.871 8.212 -0.341 25037 115 1 . 1 1 25 25 ALA N N 25 125.380 125.380 123.150 2.230 25037 116 1 . 1 1 25 25 ALA HA H 25 3.855 3.855 4.008 -0.153 25037 117 1 . 1 1 25 25 ALA CA C 25 55.982 55.982 54.810 1.172 25037 118 1 . 1 1 25 25 ALA CB C 25 19.314 19.314 18.545 0.769 25037 119 1 . 1 1 25 25 ALA H H 25 8.452 8.452 8.054 0.398 25037 120 1 . 1 1 26 26 LEU N N 26 119.285 119.285 119.124 0.161 25037 121 1 . 1 1 26 26 LEU HA H 26 4.041 4.041 3.974 0.067 25037 122 1 . 1 1 26 26 LEU CA C 26 57.976 57.976 57.953 0.023 25037 123 1 . 1 1 26 26 LEU CB C 26 42.337 42.337 41.799 0.538 25037 124 1 . 1 1 26 26 LEU H H 26 7.936 7.936 8.084 -0.148 25037 125 1 . 1 1 27 27 GLU N N 27 115.748 115.748 117.485 -1.737 25037 126 1 . 1 1 27 27 GLU HA H 27 4.209 4.209 4.232 -0.023 25037 127 1 . 1 1 27 27 GLU CA C 27 58.243 58.243 58.707 -0.464 25037 128 1 . 1 1 27 27 GLU CB C 27 30.836 30.836 30.111 0.725 25037 129 1 . 1 1 27 27 GLU H H 27 8.050 8.050 8.373 -0.323 25037 130 1 . 1 1 28 28 SER N N 28 113.421 113.421 112.266 1.155 25037 131 1 . 1 1 28 28 SER HA H 28 4.597 4.597 4.354 0.243 25037 132 1 . 1 1 28 28 SER CB C 28 65.743 65.743 64.454 1.289 25037 133 1 . 1 1 28 28 SER H H 28 8.476 8.476 8.197 0.279 25037 134 1 . 1 1 29 29 GLY N N 29 112.001 112.001 110.821 1.180 25037 135 1 . 1 1 29 29 GLY CA C 29 45.893 45.893 45.360 0.533 25037 136 1 . 1 1 29 29 GLY H H 29 8.074 8.074 8.008 0.066 25037 137 1 . 1 1 30 30 LEU N N 30 120.750 120.750 119.794 0.956 25037 138 1 . 1 1 30 30 LEU HA H 30 4.609 4.609 4.420 0.190 25037 139 1 . 1 1 30 30 LEU CB C 30 44.177 44.177 42.934 1.243 25037 140 1 . 1 1 30 30 LEU H H 30 7.545 7.545 7.380 0.165 25037 141 1 . 1 1 31 31 SER N N 31 113.993 113.993 114.228 -0.235 25037 142 1 . 1 1 31 31 SER HA H 31 4.568 4.568 4.608 -0.040 25037 143 1 . 1 1 31 31 SER CB C 31 64.928 64.928 64.547 0.381 25037 144 1 . 1 1 31 31 SER H H 31 8.326 8.326 8.291 0.035 25037 145 1 . 1 1 32 32 THR HA H 32 3.606 3.606 4.074 -0.468 25037 146 1 . 1 1 32 32 THR CA C 32 66.547 66.547 65.364 1.183 25037 147 1 . 1 1 32 32 THR CB C 32 67.740 67.740 68.556 -0.816 25037 148 1 . 1 1 33 33 GLY CA C 33 46.761 46.761 46.979 -0.218 25037 149 1 . 1 1 33 33 GLY H H 33 7.877 7.877 8.295 -0.418 25037 150 1 . 1 1 34 34 THR N N 34 121.948 121.948 119.654 2.294 25037 151 1 . 1 1 34 34 THR HA H 34 3.737 3.737 3.872 -0.135 25037 152 1 . 1 1 34 34 THR CA C 34 66.578 66.578 66.659 -0.081 25037 153 1 . 1 1 34 34 THR CB C 34 67.956 67.956 68.512 -0.556 25037 154 1 . 1 1 34 34 THR H H 34 7.877 7.877 7.535 0.342 25037 155 1 . 1 1 35 35 ILE N N 35 120.301 120.301 121.222 -0.921 25037 156 1 . 1 1 35 35 ILE HA H 35 3.199 3.199 3.505 -0.306 25037 157 1 . 1 1 35 35 ILE CA C 35 65.514 65.514 65.714 -0.200 25037 158 1 . 1 1 35 35 ILE CB C 35 37.869 37.869 37.656 0.213 25037 159 1 . 1 1 35 35 ILE H H 35 7.750 7.750 7.641 0.109 25037 160 1 . 1 1 36 36 SER N N 36 113.120 113.120 114.806 -1.687 25037 161 1 . 1 1 36 36 SER HA H 36 3.535 3.535 4.072 -0.537 25037 162 1 . 1 1 36 36 SER CA C 36 61.365 61.365 61.814 -0.449 25037 163 1 . 1 1 36 36 SER CB C 36 62.114 62.114 62.280 -0.166 25037 164 1 . 1 1 36 36 SER H H 36 8.322 8.322 7.831 0.491 25037 165 1 . 1 1 37 37 SER N N 37 116.941 116.941 118.375 -1.434 25037 166 1 . 1 1 37 37 SER HA H 37 4.196 4.196 4.242 -0.045 25037 167 1 . 1 1 37 37 SER CA C 37 61.201 61.201 61.500 -0.299 25037 168 1 . 1 1 37 37 SER CB C 37 63.821 63.821 63.152 0.669 25037 169 1 . 1 1 37 37 SER H H 37 8.096 8.096 7.950 0.146 25037 170 1 . 1 1 38 38 PHE N N 38 123.225 123.225 123.505 -0.280 25037 171 1 . 1 1 38 38 PHE HA H 38 4.354 4.354 4.268 0.086 25037 172 1 . 1 1 38 38 PHE CA C 38 61.899 61.899 61.658 0.241 25037 173 1 . 1 1 38 38 PHE CB C 38 39.310 39.310 39.122 0.188 25037 174 1 . 1 1 38 38 PHE H H 38 8.541 8.541 8.494 0.047 25037 175 1 . 1 1 39 39 ILE N N 39 121.189 121.189 119.159 2.030 25037 176 1 . 1 1 39 39 ILE HA H 39 3.430 3.430 3.549 -0.119 25037 177 1 . 1 1 39 39 ILE CA C 39 65.804 65.804 65.191 0.613 25037 178 1 . 1 1 39 39 ILE CB C 39 37.858 37.858 37.776 0.082 25037 179 1 . 1 1 39 39 ILE H H 39 8.619 8.619 8.445 0.174 25037 180 1 . 1 1 40 40 ASN N N 40 115.447 115.447 115.797 -0.350 25037 181 1 . 1 1 40 40 ASN HA H 40 4.648 4.648 4.607 0.041 25037 182 1 . 1 1 40 40 ASN CB C 40 39.243 39.243 38.631 0.613 25037 183 1 . 1 1 40 40 ASN H H 40 7.547 7.547 7.947 -0.400 25037 184 1 . 1 1 41 41 ASP N N 41 119.335 119.335 116.476 2.859 25037 185 1 . 1 1 41 41 ASP HA H 41 4.393 4.393 4.260 0.133 25037 186 1 . 1 1 41 41 ASP CA C 41 54.531 54.531 55.690 -1.159 25037 187 1 . 1 1 41 41 ASP CB C 41 39.581 39.581 39.396 0.184 25037 188 1 . 1 1 41 41 ASP H H 41 7.933 7.933 7.850 0.083 25037 189 1 . 1 1 42 42 LYS N N 42 117.025 117.025 115.913 1.111 25037 190 1 . 1 1 42 42 LYS HA H 42 4.520 4.520 4.392 0.128 25037 191 1 . 1 1 42 42 LYS CB C 42 33.693 33.693 33.608 0.085 25037 192 1 . 1 1 42 42 LYS H H 42 8.418 8.418 8.138 0.280 25037 193 1 . 1 1 43 43 TYR N N 43 122.804 122.804 122.061 0.743 25037 194 1 . 1 1 43 43 TYR HA H 43 4.663 4.663 4.341 0.322 25037 195 1 . 1 1 43 43 TYR CB C 43 38.132 38.132 38.814 -0.682 25037 196 1 . 1 1 43 43 TYR H H 43 8.437 8.437 7.701 0.736 25037 197 1 . 1 1 44 44 ASN CB C 44 38.647 38.647 39.204 -0.557 25037 198 1 . 1 1 45 45 GLY CA C 45 45.034 45.034 45.172 -0.138 25037 199 1 . 1 1 46 46 ASP CB C 46 40.065 40.065 39.911 0.154 25037 200 1 . 1 1 47 47 ASN HA H 47 4.520 4.520 4.648 -0.128 25037 201 1 . 1 1 47 47 ASN CA C 47 54.705 54.705 56.498 -1.793 25037 202 1 . 1 1 47 47 ASN CB C 47 40.262 40.262 38.619 1.643 25037 203 1 . 1 1 47 47 ASN H H 47 8.291 8.291 8.643 -0.352 25037 204 1 . 1 1 48 48 GLU N N 48 121.849 121.849 120.223 1.626 25037 205 1 . 1 1 48 48 GLU HA H 48 4.127 4.127 4.099 0.028 25037 206 1 . 1 1 48 48 GLU CA C 48 60.052 60.052 59.468 0.584 25037 207 1 . 1 1 48 48 GLU CB C 48 29.155 29.155 29.356 -0.201 25037 208 1 . 1 1 48 48 GLU H H 48 8.695 8.695 8.773 -0.078 25037 209 1 . 1 1 49 49 ARG N N 49 120.467 120.467 119.996 0.471 25037 210 1 . 1 1 49 49 ARG HA H 49 4.105 4.105 4.085 0.020 25037 211 1 . 1 1 49 49 ARG CA C 49 59.130 59.130 59.106 0.025 25037 212 1 . 1 1 49 49 ARG CB C 49 30.078 30.078 29.969 0.109 25037 213 1 . 1 1 49 49 ARG H H 49 7.958 7.958 7.773 0.185 25037 214 1 . 1 1 50 50 VAL N N 50 119.496 119.496 118.803 0.693 25037 215 1 . 1 1 50 50 VAL HA H 50 3.362 3.362 3.427 -0.066 25037 216 1 . 1 1 50 50 VAL CA C 50 67.008 67.008 66.435 0.573 25037 217 1 . 1 1 50 50 VAL CB C 50 31.759 31.759 31.196 0.563 25037 218 1 . 1 1 50 50 VAL H H 50 7.767 7.767 7.711 0.056 25037 219 1 . 1 1 51 51 SER N N 51 114.856 114.856 115.594 -0.738 25037 220 1 . 1 1 51 51 SER HA H 51 3.665 3.665 3.719 -0.054 25037 221 1 . 1 1 51 51 SER CA C 51 62.288 62.288 61.806 0.482 25037 222 1 . 1 1 51 51 SER CB C 51 62.823 62.823 62.770 0.053 25037 223 1 . 1 1 51 51 SER H H 51 8.296 8.296 8.417 -0.121 25037 224 1 . 1 1 52 52 GLN N N 52 120.482 120.482 120.443 0.039 25037 225 1 . 1 1 52 52 GLN HA H 52 4.167 4.167 4.087 0.080 25037 226 1 . 1 1 52 52 GLN CA C 52 59.179 59.179 58.563 0.616 25037 227 1 . 1 1 52 52 GLN CB C 52 28.441 28.441 28.153 0.288 25037 228 1 . 1 1 52 52 GLN H H 52 8.012 8.012 8.153 -0.141 25037 229 1 . 1 1 53 53 THR N N 53 117.745 117.745 117.359 0.386 25037 230 1 . 1 1 53 53 THR HA H 53 3.981 3.981 4.073 -0.092 25037 231 1 . 1 1 53 53 THR CA C 53 67.070 67.070 66.567 0.503 25037 232 1 . 1 1 53 53 THR CB C 53 68.860 68.860 68.527 0.333 25037 233 1 . 1 1 53 53 THR H H 53 7.960 7.960 7.665 0.294 25037 234 1 . 1 1 54 54 LEU N N 54 122.166 122.166 121.714 0.452 25037 235 1 . 1 1 54 54 LEU HA H 54 4.334 4.334 3.887 0.447 25037 236 1 . 1 1 54 54 LEU CA C 54 57.483 57.483 58.039 -0.556 25037 237 1 . 1 1 54 54 LEU CB C 54 41.080 41.080 41.135 -0.055 25037 238 1 . 1 1 54 54 LEU H H 54 8.376 8.376 8.135 0.241 25037 239 1 . 1 1 55 55 GLN N N 55 122.381 122.381 118.836 3.545 25037 240 1 . 1 1 55 55 GLN HA H 55 4.060 4.060 3.976 0.084 25037 241 1 . 1 1 55 55 GLN CA C 55 59.427 59.427 59.677 -0.251 25037 242 1 . 1 1 55 55 GLN CB C 55 27.548 27.548 28.363 -0.815 25037 243 1 . 1 1 55 55 GLN H H 55 9.086 9.086 8.522 0.564 25037 244 1 . 1 1 56 56 ARG N N 56 117.595 117.595 119.037 -1.442 25037 245 1 . 1 1 56 56 ARG HA H 56 4.179 4.179 4.123 0.056 25037 246 1 . 1 1 56 56 ARG CA C 56 57.448 57.448 59.369 -1.921 25037 247 1 . 1 1 56 56 ARG CB C 56 30.192 30.192 30.068 0.124 25037 248 1 . 1 1 56 56 ARG H H 56 7.690 7.690 7.667 0.023 25037 249 1 . 1 1 57 57 TRP N N 57 120.743 120.743 121.898 -1.155 25037 250 1 . 1 1 57 57 TRP HA H 57 4.096 4.096 4.390 -0.294 25037 251 1 . 1 1 57 57 TRP CA C 57 58.856 58.856 61.412 -2.556 25037 252 1 . 1 1 57 57 TRP CB C 57 28.557 28.557 29.318 -0.761 25037 253 1 . 1 1 57 57 TRP H H 57 7.754 7.754 7.668 0.086 25037 254 1 . 1 1 58 58 LEU N N 58 121.472 121.472 119.972 1.500 25037 255 1 . 1 1 58 58 LEU HA H 58 3.680 3.680 3.671 0.009 25037 256 1 . 1 1 58 58 LEU CA C 58 58.178 58.178 58.396 -0.218 25037 257 1 . 1 1 58 58 LEU CB C 58 42.947 42.947 41.886 1.060 25037 258 1 . 1 1 58 58 LEU H H 58 8.699 8.699 8.899 -0.200 25037 259 1 . 1 1 59 59 GLU N N 59 117.216 117.216 118.958 -1.742 25037 260 1 . 1 1 59 59 GLU HA H 59 3.957 3.957 3.955 0.002 25037 261 1 . 1 1 59 59 GLU CA C 59 58.835 58.835 59.742 -0.907 25037 262 1 . 1 1 59 59 GLU CB C 59 29.824 29.824 29.466 0.358 25037 263 1 . 1 1 59 59 GLU H H 59 8.301 8.301 8.536 -0.235 25037 264 1 . 1 1 60 60 LYS N N 60 118.414 118.414 117.779 0.635 25037 265 1 . 1 1 60 60 LYS HA H 60 4.023 4.023 4.083 -0.060 25037 266 1 . 1 1 60 60 LYS CA C 60 57.884 57.884 58.372 -0.488 25037 267 1 . 1 1 60 60 LYS CB C 60 32.425 32.425 32.066 0.359 25037 268 1 . 1 1 60 60 LYS H H 60 7.499 7.499 7.598 -0.099 25037 269 1 . 1 1 61 61 TYR N N 61 120.082 120.082 120.596 -0.514 25037 270 1 . 1 1 61 61 TYR HA H 61 3.749 3.749 3.917 -0.168 25037 271 1 . 1 1 61 61 TYR CA C 61 59.050 59.050 60.743 -1.693 25037 272 1 . 1 1 61 61 TYR CB C 61 38.630 38.630 38.186 0.444 25037 273 1 . 1 1 61 61 TYR H H 61 7.852 7.852 7.796 0.056 25037 274 1 . 1 1 62 62 HIS N N 62 117.180 117.180 114.615 2.565 25037 275 1 . 1 1 62 62 HIS HA H 62 4.502 4.502 4.460 0.042 25037 276 1 . 1 1 62 62 HIS CA C 62 55.698 55.698 57.114 -1.416 25037 277 1 . 1 1 62 62 HIS CB C 62 30.235 30.235 30.331 -0.096 25037 278 1 . 1 1 62 62 HIS H H 62 7.600 7.600 8.170 -0.570 25037 stop_ save_