data_18087 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18087 _Entry.PDB_ID 2LLS 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 18087 _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 2 2 SER N N 2 117.254 117.254 117.058 0.196 18087 2 1 1 . 1 1 2 2 SER HA H 2 4.737 4.737 4.425 0.312 18087 3 1 1 . 1 1 2 2 SER C C 2 175.320 175.320 175.314 0.006 18087 4 1 1 . 1 1 2 2 SER CA C 2 57.476 57.476 58.090 -0.614 18087 5 1 1 . 1 1 2 2 SER CB C 2 64.594 64.594 64.147 0.447 18087 6 1 1 . 1 1 2 2 SER H H 2 8.686 8.686 8.753 -0.067 18087 7 1 1 . 1 1 3 3 GLU N N 3 124.640 124.640 122.681 1.959 18087 8 1 1 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.014 0.094 18087 9 1 1 . 1 1 3 3 GLU C C 3 178.972 178.972 178.542 0.430 18087 10 1 1 . 1 1 3 3 GLU CA C 3 60.375 60.375 60.458 -0.083 18087 11 1 1 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.215 0.529 18087 12 1 1 . 1 1 3 3 GLU H H 3 9.242 9.242 8.920 0.322 18087 13 1 1 . 1 1 4 4 LEU N N 4 119.682 119.682 118.876 0.806 18087 14 1 1 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.025 -0.073 18087 15 1 1 . 1 1 4 4 LEU C C 4 178.027 178.027 178.982 -0.955 18087 16 1 1 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.702 -0.523 18087 17 1 1 . 1 1 4 4 LEU CB C 4 42.308 42.308 41.035 1.273 18087 18 1 1 . 1 1 4 4 LEU H H 4 8.952 8.952 8.422 0.530 18087 19 1 1 . 1 1 5 5 GLU N N 5 118.542 118.542 118.835 -0.293 18087 20 1 1 . 1 1 5 5 GLU HA H 5 3.792 3.792 3.975 -0.183 18087 21 1 1 . 1 1 5 5 GLU C C 5 178.389 178.389 179.168 -0.779 18087 22 1 1 . 1 1 5 5 GLU CA C 5 60.051 60.051 60.037 0.014 18087 23 1 1 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.263 0.720 18087 24 1 1 . 1 1 5 5 GLU H H 5 7.968 7.968 8.371 -0.403 18087 25 1 1 . 1 1 6 6 THR N N 6 114.278 114.278 116.826 -2.548 18087 26 1 1 . 1 1 6 6 THR HA H 6 4.015 4.015 4.025 -0.010 18087 27 1 1 . 1 1 6 6 THR C C 6 176.990 176.990 176.940 0.050 18087 28 1 1 . 1 1 6 6 THR CA C 6 66.450 66.450 66.956 -0.506 18087 29 1 1 . 1 1 6 6 THR CB C 6 68.637 68.637 68.763 -0.126 18087 30 1 1 . 1 1 6 6 THR H H 6 8.177 8.177 8.625 -0.448 18087 31 1 1 . 1 1 7 7 ALA N N 7 126.659 126.659 126.066 0.593 18087 32 1 1 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.048 0.115 18087 33 1 1 . 1 1 7 7 ALA C C 7 179.338 179.338 179.742 -0.404 18087 34 1 1 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.440 0.375 18087 35 1 1 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.232 -0.048 18087 36 1 1 . 1 1 7 7 ALA H H 7 8.166 8.166 9.104 -0.938 18087 37 1 1 . 1 1 8 8 MET N N 8 117.727 117.727 117.272 0.455 18087 38 1 1 . 1 1 8 8 MET HA H 8 3.731 3.731 4.290 -0.559 18087 39 1 1 . 1 1 8 8 MET C C 8 178.071 178.071 179.057 -0.986 18087 40 1 1 . 1 1 8 8 MET CA C 8 60.447 60.447 57.221 3.227 18087 41 1 1 . 1 1 8 8 MET CB C 8 34.928 34.928 31.417 3.511 18087 42 1 1 . 1 1 8 8 MET H H 8 8.090 8.090 8.975 -0.885 18087 43 1 1 . 1 1 9 9 GLU N N 9 117.303 117.303 120.402 -3.099 18087 44 1 1 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.976 -0.069 18087 45 1 1 . 1 1 9 9 GLU C C 9 179.261 179.261 179.165 0.096 18087 46 1 1 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.574 0.456 18087 47 1 1 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.468 0.031 18087 48 1 1 . 1 1 9 9 GLU H H 9 8.603 8.603 8.718 -0.115 18087 49 1 1 . 1 1 10 10 THR N N 10 117.583 117.583 118.063 -0.480 18087 50 1 1 . 1 1 10 10 THR HA H 10 4.088 4.088 4.046 0.042 18087 51 1 1 . 1 1 10 10 THR C C 10 175.758 175.758 176.856 -1.098 18087 52 1 1 . 1 1 10 10 THR CA C 10 67.439 67.439 67.159 0.280 18087 53 1 1 . 1 1 10 10 THR CB C 10 68.014 68.014 68.684 -0.670 18087 54 1 1 . 1 1 10 10 THR H H 10 8.483 8.483 8.500 -0.017 18087 55 1 1 . 1 1 11 11 LEU N N 11 119.623 119.623 122.366 -2.743 18087 56 1 1 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.276 -0.306 18087 57 1 1 . 1 1 11 11 LEU C C 11 178.935 178.935 179.391 -0.456 18087 58 1 1 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.546 0.629 18087 59 1 1 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.717 0.144 18087 60 1 1 . 1 1 11 11 LEU H H 11 8.013 8.013 8.311 -0.298 18087 61 1 1 . 1 1 12 12 ILE N N 12 119.751 119.751 120.353 -0.602 18087 62 1 1 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.560 0.433 18087 63 1 1 . 1 1 12 12 ILE C C 12 177.717 177.717 178.082 -0.365 18087 64 1 1 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.251 1.497 18087 65 1 1 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.239 3.027 18087 66 1 1 . 1 1 12 12 ILE H H 12 7.708 7.708 8.612 -0.904 18087 67 1 1 . 1 1 13 13 ASN N N 13 121.260 121.260 119.562 1.698 18087 68 1 1 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.555 0.012 18087 69 1 1 . 1 1 13 13 ASN C C 13 178.941 178.941 178.311 0.630 18087 70 1 1 . 1 1 13 13 ASN CA C 13 56.339 56.339 57.475 -1.136 18087 71 1 1 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.676 -0.582 18087 72 1 1 . 1 1 13 13 ASN H H 13 9.125 9.125 8.720 0.405 18087 73 1 1 . 1 1 14 14 VAL N N 14 120.868 120.868 120.702 0.166 18087 74 1 1 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.720 0.147 18087 75 1 1 . 1 1 14 14 VAL C C 14 177.827 177.827 177.763 0.064 18087 76 1 1 . 1 1 14 14 VAL CA C 14 66.715 66.715 67.143 -0.428 18087 77 1 1 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.999 -0.097 18087 78 1 1 . 1 1 14 14 VAL H H 14 8.965 8.965 8.383 0.582 18087 79 1 1 . 1 1 15 15 PHE N N 15 117.672 117.672 121.902 -4.230 18087 80 1 1 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.944 -0.498 18087 81 1 1 . 1 1 15 15 PHE C C 15 177.713 177.713 177.041 0.672 18087 82 1 1 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.165 0.276 18087 83 1 1 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.168 0.013 18087 84 1 1 . 1 1 15 15 PHE H H 15 6.968 6.968 9.087 -2.119 18087 85 1 1 . 1 1 16 16 HIS N N 16 115.122 115.122 119.149 -4.027 18087 86 1 1 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.199 0.170 18087 87 1 1 . 1 1 16 16 HIS C C 16 176.987 176.987 177.937 -0.950 18087 88 1 1 . 1 1 16 16 HIS CA C 16 58.413 58.413 59.328 -0.915 18087 89 1 1 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.373 -1.113 18087 90 1 1 . 1 1 16 16 HIS H H 16 8.020 8.020 9.305 -1.285 18087 91 1 1 . 1 1 17 17 ALA N N 17 122.533 122.533 122.210 0.323 18087 92 1 1 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.942 0.175 18087 93 1 1 . 1 1 17 17 ALA CA C 17 54.064 54.064 55.171 -1.107 18087 94 1 1 . 1 1 17 17 ALA CB C 17 17.908 17.908 17.998 -0.090 18087 95 1 1 . 1 1 17 17 ALA H H 17 8.282 8.282 8.568 -0.286 18087 96 1 1 . 1 1 18 18 HIS N N 18 113.127 113.127 117.070 -3.943 18087 97 1 1 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.255 0.153 18087 98 1 1 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.327 -2.079 18087 99 1 1 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.571 1.691 18087 100 1 1 . 1 1 18 18 HIS H H 18 7.124 7.124 8.520 -1.396 18087 101 1 1 . 1 1 19 19 SER HA H 19 3.963 3.963 4.186 -0.223 18087 102 1 1 . 1 1 19 19 SER CA C 19 59.969 59.969 62.709 -2.740 18087 103 1 1 . 1 1 19 19 SER CB C 19 62.416 62.416 62.608 -0.192 18087 104 1 1 . 1 1 20 20 GLY N N 20 107.243 107.243 109.578 -2.335 18087 105 1 1 . 1 1 20 20 GLY CA C 20 46.114 46.114 47.190 -1.076 18087 106 1 1 . 1 1 20 20 GLY H H 20 7.915 7.915 8.617 -0.702 18087 107 1 1 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.102 -0.145 18087 108 1 1 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.062 -0.017 18087 109 1 1 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.109 -0.172 18087 110 1 1 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.136 -0.094 18087 111 1 1 . 1 1 22 22 GLU CA C 22 58.755 58.755 57.712 1.043 18087 112 1 1 . 1 1 22 22 GLU CB C 22 30.184 30.184 30.016 0.168 18087 113 1 1 . 1 1 23 23 GLY N N 23 111.113 111.113 106.942 4.171 18087 114 1 1 . 1 1 23 23 GLY CA C 23 46.790 46.790 44.410 2.380 18087 115 1 1 . 1 1 23 23 GLY H H 23 8.435 8.435 8.319 0.116 18087 116 1 1 . 1 1 24 24 ASP N N 24 123.994 123.994 121.513 2.481 18087 117 1 1 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.610 -0.114 18087 118 1 1 . 1 1 24 24 ASP CA C 24 54.286 54.286 53.434 0.851 18087 119 1 1 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.336 -0.334 18087 120 1 1 . 1 1 24 24 ASP H H 24 8.501 8.501 8.264 0.237 18087 121 1 1 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.036 0.406 18087 122 1 1 . 1 1 25 25 LYS CA C 25 56.523 56.523 57.925 -1.402 18087 123 1 1 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.561 0.710 18087 124 1 1 . 1 1 26 26 TYR N N 26 119.967 119.967 113.330 6.637 18087 125 1 1 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.873 -0.081 18087 126 1 1 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.680 0.339 18087 127 1 1 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.992 -0.561 18087 128 1 1 . 1 1 26 26 TYR H H 26 8.712 8.712 8.453 0.259 18087 129 1 1 . 1 1 27 27 LYS HA H 27 5.299 5.299 5.001 0.298 18087 130 1 1 . 1 1 27 27 LYS C C 27 174.308 174.308 173.938 0.370 18087 131 1 1 . 1 1 27 27 LYS CA C 27 54.365 54.365 55.314 -0.949 18087 132 1 1 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.416 -0.022 18087 133 1 1 . 1 1 28 28 LEU N N 28 121.194 121.194 123.087 -1.893 18087 134 1 1 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.665 0.055 18087 135 1 1 . 1 1 28 28 LEU C C 28 178.895 178.895 174.509 4.386 18087 136 1 1 . 1 1 28 28 LEU CA C 28 52.968 52.968 53.537 -0.569 18087 137 1 1 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.472 0.739 18087 138 1 1 . 1 1 28 28 LEU H H 28 8.632 8.632 9.380 -0.748 18087 139 1 1 . 1 1 29 29 SER N N 29 119.705 119.705 122.061 -2.356 18087 140 1 1 . 1 1 29 29 SER HA H 29 4.987 4.987 4.617 0.370 18087 141 1 1 . 1 1 29 29 SER C C 29 175.742 175.742 175.428 0.314 18087 142 1 1 . 1 1 29 29 SER CA C 29 57.873 57.873 57.542 0.331 18087 143 1 1 . 1 1 29 29 SER CB C 29 64.531 64.531 64.089 0.442 18087 144 1 1 . 1 1 29 29 SER H H 29 8.901 8.901 8.888 0.013 18087 145 1 1 . 1 1 30 30 LYS N N 30 124.208 124.208 123.732 0.476 18087 146 1 1 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.091 -0.277 18087 147 1 1 . 1 1 30 30 LYS C C 30 178.469 178.469 178.576 -0.107 18087 148 1 1 . 1 1 30 30 LYS CA C 30 61.433 61.433 58.551 2.882 18087 149 1 1 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.678 0.591 18087 150 1 1 . 1 1 30 30 LYS H H 30 8.836 8.836 8.985 -0.149 18087 151 1 1 . 1 1 31 31 LYS N N 31 119.570 119.570 120.721 -1.151 18087 152 1 1 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.064 -0.018 18087 153 1 1 . 1 1 31 31 LYS C C 31 179.409 179.409 178.511 0.898 18087 154 1 1 . 1 1 31 31 LYS CA C 31 59.223 59.223 60.041 -0.818 18087 155 1 1 . 1 1 31 31 LYS CB C 31 32.386 32.386 31.912 0.475 18087 156 1 1 . 1 1 31 31 LYS H H 31 8.597 8.597 8.244 0.353 18087 157 1 1 . 1 1 32 32 GLU N N 32 119.551 119.551 118.561 0.990 18087 158 1 1 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.488 -0.442 18087 159 1 1 . 1 1 32 32 GLU CA C 32 58.998 58.998 57.733 1.265 18087 160 1 1 . 1 1 32 32 GLU CB C 32 28.470 28.470 30.344 -1.874 18087 161 1 1 . 1 1 32 32 GLU H H 32 7.442 7.442 7.648 -0.206 18087 162 1 1 . 1 1 33 33 LEU N N 33 121.725 121.725 121.253 0.472 18087 163 1 1 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.936 0.132 18087 164 1 1 . 1 1 33 33 LEU C C 33 177.279 177.279 178.225 -0.946 18087 165 1 1 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.579 -1.183 18087 166 1 1 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.633 -1.048 18087 167 1 1 . 1 1 33 33 LEU H H 33 8.579 8.579 8.039 0.540 18087 168 1 1 . 1 1 34 34 LYS N N 34 120.543 120.543 117.407 3.136 18087 169 1 1 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.976 -0.340 18087 170 1 1 . 1 1 34 34 LYS C C 34 177.868 177.868 178.726 -0.858 18087 171 1 1 . 1 1 34 34 LYS CA C 34 60.704 60.704 59.788 0.916 18087 172 1 1 . 1 1 34 34 LYS CB C 34 31.870 31.870 31.767 0.103 18087 173 1 1 . 1 1 34 34 LYS H H 34 8.618 8.618 7.580 1.038 18087 174 1 1 . 1 1 35 35 GLU N N 35 117.340 117.340 120.639 -3.299 18087 175 1 1 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.042 -0.035 18087 176 1 1 . 1 1 35 35 GLU C C 35 179.008 179.008 179.268 -0.260 18087 177 1 1 . 1 1 35 35 GLU CA C 35 59.366 59.366 59.184 0.181 18087 178 1 1 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.595 -0.400 18087 179 1 1 . 1 1 35 35 GLU H H 35 7.713 7.713 7.958 -0.245 18087 180 1 1 . 1 1 36 36 LEU N N 36 122.745 122.745 123.500 -0.755 18087 181 1 1 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.212 -0.199 18087 182 1 1 . 1 1 36 36 LEU C C 36 178.646 178.646 178.754 -0.108 18087 183 1 1 . 1 1 36 36 LEU CA C 36 58.376 58.376 57.989 0.387 18087 184 1 1 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.310 0.578 18087 185 1 1 . 1 1 36 36 LEU H H 36 8.150 8.150 8.850 -0.700 18087 186 1 1 . 1 1 37 37 LEU N N 37 118.881 118.881 119.570 -0.689 18087 187 1 1 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.074 -0.326 18087 188 1 1 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.527 -0.166 18087 189 1 1 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.244 0.169 18087 190 1 1 . 1 1 37 37 LEU H H 37 8.495 8.495 8.730 -0.235 18087 191 1 1 . 1 1 38 38 GLN N N 38 115.311 115.311 117.158 -1.847 18087 192 1 1 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.061 -0.272 18087 193 1 1 . 1 1 38 38 GLN C C 38 177.826 177.826 178.096 -0.270 18087 194 1 1 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.692 0.168 18087 195 1 1 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.261 0.060 18087 196 1 1 . 1 1 38 38 GLN H H 38 8.348 8.348 8.169 0.179 18087 197 1 1 . 1 1 39 39 THR N N 39 112.151 112.151 117.072 -4.921 18087 198 1 1 . 1 1 39 39 THR HA H 39 4.186 4.186 4.178 0.008 18087 199 1 1 . 1 1 39 39 THR C C 39 177.166 177.166 177.639 -0.473 18087 200 1 1 . 1 1 39 39 THR CA C 39 65.284 65.284 66.945 -1.661 18087 201 1 1 . 1 1 39 39 THR CB C 39 69.179 69.179 68.802 0.377 18087 202 1 1 . 1 1 39 39 THR H H 39 7.872 7.872 8.235 -0.363 18087 203 1 1 . 1 1 40 40 GLU N N 40 119.602 119.602 122.574 -2.972 18087 204 1 1 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.243 0.123 18087 205 1 1 . 1 1 40 40 GLU C C 40 178.228 178.228 178.123 0.105 18087 206 1 1 . 1 1 40 40 GLU CA C 40 58.623 58.623 59.251 -0.627 18087 207 1 1 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.743 1.191 18087 208 1 1 . 1 1 40 40 GLU H H 40 8.713 8.713 8.606 0.107 18087 209 1 1 . 1 1 41 41 LEU N N 41 118.018 118.018 120.054 -2.036 18087 210 1 1 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.714 0.418 18087 211 1 1 . 1 1 41 41 LEU C C 41 176.993 176.993 177.026 -0.033 18087 212 1 1 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.882 -1.062 18087 213 1 1 . 1 1 41 41 LEU CB C 41 41.962 41.962 41.065 0.897 18087 214 1 1 . 1 1 41 41 LEU H H 41 8.243 8.243 7.851 0.392 18087 215 1 1 . 1 1 42 42 SER N N 42 114.483 114.483 117.701 -3.218 18087 216 1 1 . 1 1 42 42 SER HA H 42 3.950 3.950 4.360 -0.410 18087 217 1 1 . 1 1 42 42 SER C C 42 176.651 176.651 176.820 -0.169 18087 218 1 1 . 1 1 42 42 SER CA C 42 62.225 62.225 63.356 -1.131 18087 219 1 1 . 1 1 42 42 SER CB C 42 62.675 62.675 62.957 -0.282 18087 220 1 1 . 1 1 42 42 SER H H 42 7.019 7.019 7.739 -0.720 18087 221 1 1 . 1 1 43 43 GLY N N 43 109.381 109.381 108.942 0.439 18087 222 1 1 . 1 1 43 43 GLY C C 43 176.476 176.476 176.083 0.393 18087 223 1 1 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.814 0.205 18087 224 1 1 . 1 1 43 43 GLY H H 43 8.666 8.666 8.747 -0.081 18087 225 1 1 . 1 1 44 44 PHE N N 44 124.390 124.390 121.109 3.281 18087 226 1 1 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.306 0.021 18087 227 1 1 . 1 1 44 44 PHE C C 44 176.516 176.516 177.371 -0.855 18087 228 1 1 . 1 1 44 44 PHE CA C 44 60.094 60.094 60.595 -0.501 18087 229 1 1 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.822 0.403 18087 230 1 1 . 1 1 44 44 PHE H H 44 8.226 8.226 7.705 0.521 18087 231 1 1 . 1 1 45 45 LEU N N 45 117.156 117.156 120.494 -3.338 18087 232 1 1 . 1 1 45 45 LEU HA H 45 3.418 3.418 4.044 -0.626 18087 233 1 1 . 1 1 45 45 LEU C C 45 179.673 179.673 178.871 0.802 18087 234 1 1 . 1 1 45 45 LEU CA C 45 57.522 57.522 58.106 -0.584 18087 235 1 1 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.554 -0.940 18087 236 1 1 . 1 1 45 45 LEU H H 45 8.627 8.627 8.915 -0.288 18087 237 1 1 . 1 1 46 46 ASP N N 46 117.663 117.663 119.900 -2.237 18087 238 1 1 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.378 -0.033 18087 239 1 1 . 1 1 46 46 ASP C C 46 177.844 177.844 178.683 -0.839 18087 240 1 1 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.228 -0.444 18087 241 1 1 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.856 0.274 18087 242 1 1 . 1 1 46 46 ASP H H 46 7.933 7.933 8.819 -0.886 18087 243 1 1 . 1 1 47 47 ALA N N 47 119.795 119.795 120.048 -0.253 18087 244 1 1 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.162 0.041 18087 245 1 1 . 1 1 47 47 ALA C C 47 179.300 179.300 177.744 1.556 18087 246 1 1 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.220 -0.858 18087 247 1 1 . 1 1 47 47 ALA CB C 47 19.011 19.011 19.185 -0.174 18087 248 1 1 . 1 1 47 47 ALA H H 47 7.380 7.380 7.952 -0.572 18087 249 1 1 . 1 1 48 48 GLN N N 48 115.955 115.955 114.934 1.021 18087 250 1 1 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.405 -0.135 18087 251 1 1 . 1 1 48 48 GLN C C 48 175.355 175.355 176.134 -0.779 18087 252 1 1 . 1 1 48 48 GLN CA C 48 54.026 54.026 55.270 -1.244 18087 253 1 1 . 1 1 48 48 GLN CB C 48 28.560 28.560 28.338 0.222 18087 254 1 1 . 1 1 48 48 GLN H H 48 7.369 7.369 7.744 -0.375 18087 255 1 1 . 1 1 49 49 LYS N N 49 119.402 119.402 121.077 -1.675 18087 256 1 1 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.018 -0.002 18087 257 1 1 . 1 1 49 49 LYS C C 49 176.255 176.255 177.223 -0.968 18087 258 1 1 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.962 -1.778 18087 259 1 1 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.452 -0.349 18087 260 1 1 . 1 1 49 49 LYS H H 49 7.152 7.152 7.694 -0.542 18087 261 1 1 . 1 1 50 50 ASP N N 50 117.172 117.172 115.064 2.108 18087 262 1 1 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.606 -0.011 18087 263 1 1 . 1 1 50 50 ASP C C 50 175.916 175.916 176.280 -0.364 18087 264 1 1 . 1 1 50 50 ASP CA C 50 54.217 54.217 54.144 0.073 18087 265 1 1 . 1 1 50 50 ASP CB C 50 40.309 40.309 41.125 -0.816 18087 266 1 1 . 1 1 50 50 ASP H H 50 8.338 8.338 8.284 0.054 18087 267 1 1 . 1 1 51 51 VAL N N 51 121.648 121.648 120.355 1.293 18087 268 1 1 . 1 1 51 51 VAL HA H 51 3.997 3.997 3.974 0.023 18087 269 1 1 . 1 1 51 51 VAL C C 51 177.128 177.128 177.092 0.036 18087 270 1 1 . 1 1 51 51 VAL CA C 51 62.404 62.404 63.366 -0.962 18087 271 1 1 . 1 1 51 51 VAL CB C 51 31.921 31.921 32.439 -0.518 18087 272 1 1 . 1 1 51 51 VAL H H 51 7.604 7.604 7.046 0.558 18087 273 1 1 . 1 1 52 52 ASP N N 52 129.202 129.202 127.459 1.743 18087 274 1 1 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.318 -0.045 18087 275 1 1 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.561 0.622 18087 276 1 1 . 1 1 52 52 ASP CB C 52 40.935 40.935 41.183 -0.248 18087 277 1 1 . 1 1 52 52 ASP H H 52 8.702 8.702 8.946 -0.244 18087 278 1 1 . 1 1 53 53 ALA N N 53 118.401 118.401 122.079 -3.678 18087 279 1 1 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.127 -0.115 18087 280 1 1 . 1 1 53 53 ALA C C 53 179.448 179.448 179.526 -0.078 18087 281 1 1 . 1 1 53 53 ALA CA C 53 55.053 55.053 54.837 0.216 18087 282 1 1 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.064 1.300 18087 283 1 1 . 1 1 53 53 ALA H H 53 8.478 8.478 8.460 0.018 18087 284 1 1 . 1 1 54 54 VAL N N 54 115.050 115.050 117.913 -2.863 18087 285 1 1 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.659 -0.117 18087 286 1 1 . 1 1 54 54 VAL C C 54 177.000 177.000 176.942 0.058 18087 287 1 1 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.475 -1.255 18087 288 1 1 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.922 0.137 18087 289 1 1 . 1 1 54 54 VAL H H 54 6.988 6.988 7.673 -0.685 18087 290 1 1 . 1 1 55 55 ASP N N 55 120.834 120.834 120.000 0.834 18087 291 1 1 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.331 -0.053 18087 292 1 1 . 1 1 55 55 ASP C C 55 178.307 178.307 178.184 0.123 18087 293 1 1 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.610 0.013 18087 294 1 1 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.715 1.062 18087 295 1 1 . 1 1 55 55 ASP H H 55 8.157 8.157 7.767 0.390 18087 296 1 1 . 1 1 56 56 LYS N N 56 115.672 115.672 119.730 -4.058 18087 297 1 1 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.017 -0.129 18087 298 1 1 . 1 1 56 56 LYS C C 56 179.372 179.372 179.209 0.163 18087 299 1 1 . 1 1 56 56 LYS CA C 56 59.608 59.608 59.863 -0.255 18087 300 1 1 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.656 -0.278 18087 301 1 1 . 1 1 56 56 LYS H H 56 8.348 8.348 7.678 0.670 18087 302 1 1 . 1 1 57 57 VAL N N 57 118.238 118.238 120.534 -2.296 18087 303 1 1 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.562 0.167 18087 304 1 1 . 1 1 57 57 VAL C C 57 177.541 177.541 177.936 -0.395 18087 305 1 1 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.659 -0.957 18087 306 1 1 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.787 0.131 18087 307 1 1 . 1 1 57 57 VAL H H 57 7.003 7.003 8.683 -1.680 18087 308 1 1 . 1 1 58 58 MET N N 58 115.998 115.998 118.260 -2.262 18087 309 1 1 . 1 1 58 58 MET HA H 58 4.313 4.313 4.135 0.178 18087 310 1 1 . 1 1 58 58 MET C C 58 179.857 179.857 178.319 1.538 18087 311 1 1 . 1 1 58 58 MET CA C 58 56.717 56.717 58.819 -2.103 18087 312 1 1 . 1 1 58 58 MET CB C 58 32.366 32.366 32.515 -0.149 18087 313 1 1 . 1 1 58 58 MET H H 58 7.836 7.836 8.516 -0.680 18087 314 1 1 . 1 1 59 59 LYS N N 59 119.682 119.682 119.412 0.270 18087 315 1 1 . 1 1 59 59 LYS HA H 59 4.088 4.088 4.079 0.009 18087 316 1 1 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.249 0.193 18087 317 1 1 . 1 1 59 59 LYS CB C 59 32.504 32.504 32.624 -0.120 18087 318 1 1 . 1 1 59 59 LYS H H 59 8.619 8.619 8.416 0.203 18087 319 1 1 . 1 1 60 60 GLU N N 60 119.917 119.917 118.600 1.317 18087 320 1 1 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.103 -0.167 18087 321 1 1 . 1 1 60 60 GLU CA C 60 59.240 59.240 58.984 0.256 18087 322 1 1 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.168 0.921 18087 323 1 1 . 1 1 60 60 GLU H H 60 7.721 7.721 8.936 -1.215 18087 324 1 1 . 1 1 61 61 LEU N N 61 116.614 116.614 119.195 -2.581 18087 325 1 1 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.264 -0.241 18087 326 1 1 . 1 1 61 61 LEU C C 61 175.845 175.845 178.424 -2.579 18087 327 1 1 . 1 1 61 61 LEU CA C 61 56.515 56.515 55.742 0.773 18087 328 1 1 . 1 1 61 61 LEU CB C 61 41.218 41.218 40.538 0.680 18087 329 1 1 . 1 1 61 61 LEU H H 61 7.429 7.429 7.436 -0.007 18087 330 1 1 . 1 1 62 62 ASP N N 62 116.147 116.147 121.573 -5.426 18087 331 1 1 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.426 0.097 18087 332 1 1 . 1 1 62 62 ASP C C 62 177.790 177.790 178.941 -1.151 18087 333 1 1 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.747 -2.321 18087 334 1 1 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.243 1.637 18087 335 1 1 . 1 1 62 62 ASP H H 62 7.423 7.423 9.123 -1.700 18087 336 1 1 . 1 1 63 63 GLU N N 63 119.660 119.660 118.946 0.714 18087 337 1 1 . 1 1 63 63 GLU HA H 63 4.136 4.136 4.031 0.105 18087 338 1 1 . 1 1 63 63 GLU CA C 63 57.377 57.377 59.386 -2.009 18087 339 1 1 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.490 0.499 18087 340 1 1 . 1 1 63 63 GLU H H 63 7.837 7.837 7.755 0.082 18087 341 1 1 . 1 1 64 64 ASN N N 64 118.376 118.376 115.114 3.262 18087 342 1 1 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.678 0.184 18087 343 1 1 . 1 1 64 64 ASN C C 64 176.216 176.216 176.169 0.047 18087 344 1 1 . 1 1 64 64 ASN CA C 64 52.688 52.688 53.589 -0.901 18087 345 1 1 . 1 1 64 64 ASN CB C 64 38.185 38.185 37.918 0.267 18087 346 1 1 . 1 1 64 64 ASN H H 64 8.012 8.012 7.471 0.541 18087 347 1 1 . 1 1 65 65 GLY N N 65 107.248 107.248 107.513 -0.265 18087 348 1 1 . 1 1 65 65 GLY C C 65 173.971 173.971 174.562 -0.591 18087 349 1 1 . 1 1 65 65 GLY CA C 65 47.136 47.136 44.794 2.341 18087 350 1 1 . 1 1 65 65 GLY H H 65 7.989 7.989 8.369 -0.380 18087 351 1 1 . 1 1 66 66 ASP N N 66 116.989 116.989 121.017 -4.028 18087 352 1 1 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.385 0.403 18087 353 1 1 . 1 1 66 66 ASP C C 66 177.289 177.289 176.909 0.380 18087 354 1 1 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.482 -2.316 18087 355 1 1 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.078 -0.091 18087 356 1 1 . 1 1 66 66 ASP H H 66 8.233 8.233 7.620 0.613 18087 357 1 1 . 1 1 67 67 GLY N N 67 108.642 108.642 106.355 2.287 18087 358 1 1 . 1 1 67 67 GLY C C 67 172.757 172.757 173.368 -0.611 18087 359 1 1 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.744 -0.528 18087 360 1 1 . 1 1 67 67 GLY H H 67 8.274 8.274 8.040 0.234 18087 361 1 1 . 1 1 68 68 GLU N N 68 118.614 118.614 118.873 -0.259 18087 362 1 1 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.620 0.335 18087 363 1 1 . 1 1 68 68 GLU C C 68 175.881 175.881 174.642 1.239 18087 364 1 1 . 1 1 68 68 GLU CA C 68 55.365 55.365 54.980 0.385 18087 365 1 1 . 1 1 68 68 GLU CB C 68 33.488 33.488 32.582 0.906 18087 366 1 1 . 1 1 68 68 GLU H H 68 8.404 8.404 7.729 0.675 18087 367 1 1 . 1 1 69 69 VAL N N 69 117.572 117.572 121.270 -3.698 18087 368 1 1 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.750 0.015 18087 369 1 1 . 1 1 69 69 VAL C C 69 174.820 174.820 173.956 0.864 18087 370 1 1 . 1 1 69 69 VAL CA C 69 59.951 59.951 60.152 -0.201 18087 371 1 1 . 1 1 69 69 VAL CB C 69 34.352 34.352 34.706 -0.354 18087 372 1 1 . 1 1 69 69 VAL H H 69 9.167 9.167 9.046 0.121 18087 373 1 1 . 1 1 70 70 ASP N N 70 122.616 122.616 127.317 -4.701 18087 374 1 1 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.423 -0.209 18087 375 1 1 . 1 1 70 70 ASP C C 70 175.822 175.822 176.305 -0.483 18087 376 1 1 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.317 -0.941 18087 377 1 1 . 1 1 70 70 ASP CB C 70 42.192 42.192 42.971 -0.779 18087 378 1 1 . 1 1 70 70 ASP H H 70 8.292 8.292 9.391 -1.099 18087 379 1 1 . 1 1 71 71 PHE N N 71 119.243 119.243 119.435 -0.192 18087 380 1 1 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.621 -0.870 18087 381 1 1 . 1 1 71 71 PHE C C 71 176.387 176.387 177.118 -0.731 18087 382 1 1 . 1 1 71 71 PHE CA C 71 62.965 62.965 62.316 0.649 18087 383 1 1 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.231 -0.090 18087 384 1 1 . 1 1 71 71 PHE H H 71 8.889 8.889 8.241 0.648 18087 385 1 1 . 1 1 72 72 GLN N N 72 116.655 116.655 116.876 -0.221 18087 386 1 1 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.820 -0.112 18087 387 1 1 . 1 1 72 72 GLN C C 72 177.102 177.102 178.475 -1.373 18087 388 1 1 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.444 -0.169 18087 389 1 1 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.413 -0.246 18087 390 1 1 . 1 1 72 72 GLN H H 72 8.021 8.021 9.059 -1.038 18087 391 1 1 . 1 1 73 73 GLU N N 73 119.195 119.195 119.844 -0.649 18087 392 1 1 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.051 0.442 18087 393 1 1 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.275 -4.096 18087 394 1 1 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.455 2.359 18087 395 1 1 . 1 1 73 73 GLU H H 73 8.066 8.066 7.846 0.220 18087 396 1 1 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.166 -0.080 18087 397 1 1 . 1 1 74 74 TYR CA C 74 60.497 60.497 60.962 -0.465 18087 398 1 1 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.719 -0.893 18087 399 1 1 . 1 1 75 75 VAL N N 75 120.072 120.072 117.135 2.937 18087 400 1 1 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.035 -0.052 18087 401 1 1 . 1 1 75 75 VAL C C 75 177.295 177.295 177.208 0.087 18087 402 1 1 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.615 0.077 18087 403 1 1 . 1 1 75 75 VAL CB C 75 30.618 30.618 29.922 0.696 18087 404 1 1 . 1 1 75 75 VAL H H 75 8.291 8.291 8.280 0.011 18087 405 1 1 . 1 1 76 76 VAL N N 76 121.367 121.367 120.319 1.048 18087 406 1 1 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.518 0.002 18087 407 1 1 . 1 1 76 76 VAL C C 76 178.847 178.847 177.336 1.511 18087 408 1 1 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.951 0.602 18087 409 1 1 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.421 -0.033 18087 410 1 1 . 1 1 76 76 VAL H H 76 7.571 7.571 7.083 0.488 18087 411 1 1 . 1 1 77 77 LEU N N 77 123.054 123.054 120.832 2.222 18087 412 1 1 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.984 0.145 18087 413 1 1 . 1 1 77 77 LEU C C 77 179.065 179.065 178.077 0.988 18087 414 1 1 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.172 0.320 18087 415 1 1 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.495 -0.199 18087 416 1 1 . 1 1 77 77 LEU H H 77 7.360 7.360 7.384 -0.024 18087 417 1 1 . 1 1 78 78 VAL N N 78 119.163 119.163 117.144 2.019 18087 418 1 1 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.629 -0.356 18087 419 1 1 . 1 1 78 78 VAL C C 78 180.217 180.217 177.917 2.300 18087 420 1 1 . 1 1 78 78 VAL CA C 78 67.270 67.270 65.293 1.977 18087 421 1 1 . 1 1 78 78 VAL CB C 78 31.181 31.181 29.906 1.275 18087 422 1 1 . 1 1 78 78 VAL H H 78 8.192 8.192 7.741 0.451 18087 423 1 1 . 1 1 79 79 ALA N N 79 125.884 125.884 124.120 1.764 18087 424 1 1 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.839 -0.042 18087 425 1 1 . 1 1 79 79 ALA C C 79 178.708 178.708 178.897 -0.189 18087 426 1 1 . 1 1 79 79 ALA CA C 79 55.891 55.891 54.993 0.898 18087 427 1 1 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.811 -0.448 18087 428 1 1 . 1 1 79 79 ALA H H 79 9.067 9.067 8.480 0.587 18087 429 1 1 . 1 1 80 80 ALA N N 80 121.108 121.108 121.809 -0.701 18087 430 1 1 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.935 0.189 18087 431 1 1 . 1 1 80 80 ALA C C 80 182.175 182.175 179.609 2.566 18087 432 1 1 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.133 0.290 18087 433 1 1 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.051 -0.382 18087 434 1 1 . 1 1 80 80 ALA H H 80 7.776 7.776 8.596 -0.820 18087 435 1 1 . 1 1 81 81 LEU N N 81 118.519 118.519 118.521 -0.002 18087 436 1 1 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.948 0.170 18087 437 1 1 . 1 1 81 81 LEU C C 81 177.959 177.959 179.449 -1.490 18087 438 1 1 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.540 -0.051 18087 439 1 1 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.528 0.641 18087 440 1 1 . 1 1 81 81 LEU H H 81 8.097 8.097 7.819 0.278 18087 441 1 1 . 1 1 82 82 THR N N 82 119.572 119.572 116.587 2.985 18087 442 1 1 . 1 1 82 82 THR HA H 82 3.777 3.777 3.037 0.740 18087 443 1 1 . 1 1 82 82 THR C C 82 176.911 176.911 176.481 0.430 18087 444 1 1 . 1 1 82 82 THR CA C 82 68.058 68.058 66.494 1.564 18087 445 1 1 . 1 1 82 82 THR CB C 82 67.402 67.402 67.971 -0.569 18087 446 1 1 . 1 1 82 82 THR H H 82 8.537 8.537 8.234 0.303 18087 447 1 1 . 1 1 83 83 VAL N N 83 123.805 123.805 122.052 1.753 18087 448 1 1 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.666 0.064 18087 449 1 1 . 1 1 83 83 VAL C C 83 177.787 177.787 176.965 0.822 18087 450 1 1 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.681 1.713 18087 451 1 1 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.412 0.279 18087 452 1 1 . 1 1 83 83 VAL H H 83 8.283 8.283 8.470 -0.187 18087 453 1 1 . 1 1 84 84 ALA N N 84 121.134 121.134 122.097 -0.963 18087 454 1 1 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.866 0.370 18087 455 1 1 . 1 1 84 84 ALA C C 84 180.511 180.511 179.786 0.725 18087 456 1 1 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.216 -0.041 18087 457 1 1 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.289 -0.862 18087 458 1 1 . 1 1 84 84 ALA H H 84 7.466 7.466 8.063 -0.597 18087 459 1 1 . 1 1 85 85 MET N N 85 121.755 121.755 117.680 4.075 18087 460 1 1 . 1 1 85 85 MET HA H 85 3.796 3.796 4.538 -0.742 18087 461 1 1 . 1 1 85 85 MET CA C 85 59.656 59.656 57.825 1.831 18087 462 1 1 . 1 1 85 85 MET CB C 85 33.653 33.653 32.509 1.144 18087 463 1 1 . 1 1 85 85 MET H H 85 8.549 8.549 8.501 0.048 18087 464 1 1 . 1 1 86 86 ASN N N 86 119.410 119.410 118.576 0.834 18087 465 1 1 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.435 -0.283 18087 466 1 1 . 1 1 86 86 ASN C C 86 176.834 176.834 176.160 0.674 18087 467 1 1 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.343 1.719 18087 468 1 1 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.069 1.861 18087 469 1 1 . 1 1 86 86 ASN H H 86 8.615 8.615 8.874 -0.259 18087 470 1 1 . 1 1 87 87 ASN N N 87 117.077 117.077 118.485 -1.408 18087 471 1 1 . 1 1 87 87 ASN HA H 87 4.446 4.446 3.188 1.258 18087 472 1 1 . 1 1 87 87 ASN C C 87 176.906 176.906 176.297 0.609 18087 473 1 1 . 1 1 87 87 ASN CA C 87 55.602 55.602 55.661 -0.059 18087 474 1 1 . 1 1 87 87 ASN CB C 87 37.576 37.576 37.884 -0.308 18087 475 1 1 . 1 1 87 87 ASN H H 87 8.286 8.286 8.023 0.263 18087 476 1 1 . 1 1 88 88 PHE N N 88 119.698 119.698 118.052 1.646 18087 477 1 1 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.153 0.325 18087 478 1 1 . 1 1 88 88 PHE C C 88 177.057 177.057 178.062 -1.005 18087 479 1 1 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.271 -1.725 18087 480 1 1 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.292 1.319 18087 481 1 1 . 1 1 88 88 PHE H H 88 7.909 7.909 7.515 0.394 18087 482 1 1 . 1 1 89 89 PHE N N 89 116.219 116.219 120.202 -3.983 18087 483 1 1 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.198 0.012 18087 484 1 1 . 1 1 89 89 PHE C C 89 177.637 177.637 178.171 -0.534 18087 485 1 1 . 1 1 89 89 PHE CA C 89 58.752 58.752 61.978 -3.226 18087 486 1 1 . 1 1 89 89 PHE CB C 89 39.781 39.781 38.846 0.935 18087 487 1 1 . 1 1 89 89 PHE H H 89 8.049 8.049 7.560 0.489 18087 488 1 1 . 1 1 90 90 TRP N N 90 117.712 117.712 118.036 -0.324 18087 489 1 1 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.509 0.019 18087 490 1 1 . 1 1 90 90 TRP C C 90 176.741 176.741 178.201 -1.460 18087 491 1 1 . 1 1 90 90 TRP CA C 90 58.109 58.109 58.732 -0.623 18087 492 1 1 . 1 1 90 90 TRP CB C 90 29.720 29.720 28.393 1.327 18087 493 1 1 . 1 1 90 90 TRP H H 90 8.257 8.257 7.871 0.386 18087 494 1 1 . 1 1 91 91 GLU N N 91 120.493 120.493 116.535 3.958 18087 495 1 1 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.250 0.178 18087 496 1 1 . 1 1 91 91 GLU C C 91 176.393 176.393 177.343 -0.950 18087 497 1 1 . 1 1 91 91 GLU CA C 91 57.193 57.193 57.911 -0.718 18087 498 1 1 . 1 1 91 91 GLU CB C 91 29.850 29.850 30.315 -0.465 18087 499 1 1 . 1 1 91 91 GLU H H 91 7.988 7.988 8.177 -0.189 18087 500 1 1 . 1 1 92 92 ASN N N 92 119.006 119.006 118.528 0.478 18087 501 1 1 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.824 -0.037 18087 502 1 1 . 1 1 92 92 ASN C C 92 174.284 174.284 173.429 0.855 18087 503 1 1 . 1 1 92 92 ASN CA C 92 53.198 53.198 52.931 0.267 18087 504 1 1 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.254 0.979 18087 505 1 1 . 1 1 92 92 ASN H H 92 8.203 8.203 8.225 -0.022 18087 506 1 2 . 1 1 2 2 SER N N 2 117.254 117.254 115.942 1.312 18087 507 1 2 . 1 1 2 2 SER HA H 2 4.737 4.737 4.630 0.107 18087 508 1 2 . 1 1 2 2 SER C C 2 175.320 175.320 175.470 -0.150 18087 509 1 2 . 1 1 2 2 SER CA C 2 57.476 57.476 57.508 -0.032 18087 510 1 2 . 1 1 2 2 SER CB C 2 64.594 64.594 64.356 0.239 18087 511 1 2 . 1 1 2 2 SER H H 2 8.686 8.686 8.220 0.466 18087 512 1 2 . 1 1 3 3 GLU N N 3 124.640 124.640 121.409 3.231 18087 513 1 2 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.024 0.084 18087 514 1 2 . 1 1 3 3 GLU C C 3 178.972 178.972 178.500 0.472 18087 515 1 2 . 1 1 3 3 GLU CA C 3 60.375 60.375 59.695 0.680 18087 516 1 2 . 1 1 3 3 GLU CB C 3 29.744 29.744 28.981 0.763 18087 517 1 2 . 1 1 3 3 GLU H H 3 9.242 9.242 8.748 0.494 18087 518 1 2 . 1 1 4 4 LEU N N 4 119.682 119.682 119.874 -0.192 18087 519 1 2 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.062 -0.110 18087 520 1 2 . 1 1 4 4 LEU C C 4 178.027 178.027 179.267 -1.240 18087 521 1 2 . 1 1 4 4 LEU CA C 4 58.179 58.179 57.924 0.255 18087 522 1 2 . 1 1 4 4 LEU CB C 4 42.308 42.308 40.849 1.459 18087 523 1 2 . 1 1 4 4 LEU H H 4 8.952 8.952 8.146 0.806 18087 524 1 2 . 1 1 5 5 GLU N N 5 118.542 118.542 119.194 -0.652 18087 525 1 2 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.015 -0.223 18087 526 1 2 . 1 1 5 5 GLU C C 5 178.389 178.389 178.963 -0.574 18087 527 1 2 . 1 1 5 5 GLU CA C 5 60.051 60.051 59.958 0.093 18087 528 1 2 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.445 0.538 18087 529 1 2 . 1 1 5 5 GLU H H 5 7.968 7.968 8.891 -0.923 18087 530 1 2 . 1 1 6 6 THR N N 6 114.278 114.278 117.236 -2.958 18087 531 1 2 . 1 1 6 6 THR HA H 6 4.015 4.015 3.966 0.049 18087 532 1 2 . 1 1 6 6 THR C C 6 176.990 176.990 176.706 0.284 18087 533 1 2 . 1 1 6 6 THR CA C 6 66.450 66.450 66.908 -0.458 18087 534 1 2 . 1 1 6 6 THR CB C 6 68.637 68.637 68.183 0.454 18087 535 1 2 . 1 1 6 6 THR H H 6 8.177 8.177 7.573 0.604 18087 536 1 2 . 1 1 7 7 ALA N N 7 126.659 126.659 125.838 0.821 18087 537 1 2 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.056 0.107 18087 538 1 2 . 1 1 7 7 ALA C C 7 179.338 179.338 179.519 -0.181 18087 539 1 2 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.294 0.521 18087 540 1 2 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.207 -0.023 18087 541 1 2 . 1 1 7 7 ALA H H 7 8.166 8.166 8.897 -0.731 18087 542 1 2 . 1 1 8 8 MET N N 8 117.727 117.727 117.428 0.299 18087 543 1 2 . 1 1 8 8 MET HA H 8 3.731 3.731 4.285 -0.553 18087 544 1 2 . 1 1 8 8 MET C C 8 178.071 178.071 179.051 -0.980 18087 545 1 2 . 1 1 8 8 MET CA C 8 60.447 60.447 57.096 3.351 18087 546 1 2 . 1 1 8 8 MET CB C 8 34.928 34.928 31.414 3.514 18087 547 1 2 . 1 1 8 8 MET H H 8 8.090 8.090 8.560 -0.470 18087 548 1 2 . 1 1 9 9 GLU N N 9 117.303 117.303 120.454 -3.151 18087 549 1 2 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.951 -0.044 18087 550 1 2 . 1 1 9 9 GLU C C 9 179.261 179.261 179.131 0.130 18087 551 1 2 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.717 0.313 18087 552 1 2 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.480 0.019 18087 553 1 2 . 1 1 9 9 GLU H H 9 8.603 8.603 9.240 -0.637 18087 554 1 2 . 1 1 10 10 THR N N 10 117.583 117.583 117.618 -0.035 18087 555 1 2 . 1 1 10 10 THR HA H 10 4.088 4.088 4.094 -0.006 18087 556 1 2 . 1 1 10 10 THR C C 10 175.758 175.758 176.842 -1.084 18087 557 1 2 . 1 1 10 10 THR CA C 10 67.439 67.439 66.655 0.784 18087 558 1 2 . 1 1 10 10 THR CB C 10 68.014 68.014 68.264 -0.250 18087 559 1 2 . 1 1 10 10 THR H H 10 8.483 8.483 8.758 -0.275 18087 560 1 2 . 1 1 11 11 LEU N N 11 119.623 119.623 122.300 -2.677 18087 561 1 2 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.361 -0.391 18087 562 1 2 . 1 1 11 11 LEU C C 11 178.935 178.935 179.617 -0.682 18087 563 1 2 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.443 0.732 18087 564 1 2 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.841 0.020 18087 565 1 2 . 1 1 11 11 LEU H H 11 8.013 8.013 8.092 -0.079 18087 566 1 2 . 1 1 12 12 ILE N N 12 119.751 119.751 120.239 -0.488 18087 567 1 2 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.442 0.551 18087 568 1 2 . 1 1 12 12 ILE C C 12 177.717 177.717 178.372 -0.655 18087 569 1 2 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.345 1.403 18087 570 1 2 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.297 2.970 18087 571 1 2 . 1 1 12 12 ILE H H 12 7.708 7.708 8.817 -1.109 18087 572 1 2 . 1 1 13 13 ASN N N 13 121.260 121.260 119.311 1.949 18087 573 1 2 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.482 0.085 18087 574 1 2 . 1 1 13 13 ASN C C 13 178.941 178.941 178.180 0.761 18087 575 1 2 . 1 1 13 13 ASN CA C 13 56.339 56.339 56.795 -0.457 18087 576 1 2 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.392 -0.298 18087 577 1 2 . 1 1 13 13 ASN H H 13 9.125 9.125 8.940 0.185 18087 578 1 2 . 1 1 14 14 VAL N N 14 120.868 120.868 120.458 0.410 18087 579 1 2 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.852 0.015 18087 580 1 2 . 1 1 14 14 VAL C C 14 177.827 177.827 177.971 -0.144 18087 581 1 2 . 1 1 14 14 VAL CA C 14 66.715 66.715 66.608 0.107 18087 582 1 2 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.279 0.623 18087 583 1 2 . 1 1 14 14 VAL H H 14 8.965 8.965 8.125 0.840 18087 584 1 2 . 1 1 15 15 PHE N N 15 117.672 117.672 121.760 -4.088 18087 585 1 2 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.897 -0.452 18087 586 1 2 . 1 1 15 15 PHE C C 15 177.713 177.713 177.596 0.117 18087 587 1 2 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.225 0.216 18087 588 1 2 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.263 -0.082 18087 589 1 2 . 1 1 15 15 PHE H H 15 6.968 6.968 8.816 -1.848 18087 590 1 2 . 1 1 16 16 HIS N N 16 115.122 115.122 119.040 -3.918 18087 591 1 2 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.323 0.046 18087 592 1 2 . 1 1 16 16 HIS C C 16 176.987 176.987 177.400 -0.413 18087 593 1 2 . 1 1 16 16 HIS CA C 16 58.413 58.413 60.110 -1.697 18087 594 1 2 . 1 1 16 16 HIS CB C 16 28.260 28.260 30.148 -1.888 18087 595 1 2 . 1 1 16 16 HIS H H 16 8.020 8.020 9.254 -1.234 18087 596 1 2 . 1 1 17 17 ALA N N 17 122.533 122.533 121.621 0.912 18087 597 1 2 . 1 1 17 17 ALA HA H 17 4.117 4.117 4.001 0.116 18087 598 1 2 . 1 1 17 17 ALA CA C 17 54.064 54.064 54.765 -0.701 18087 599 1 2 . 1 1 17 17 ALA CB C 17 17.908 17.908 18.349 -0.441 18087 600 1 2 . 1 1 17 17 ALA H H 17 8.282 8.282 8.577 -0.295 18087 601 1 2 . 1 1 18 18 HIS N N 18 113.127 113.127 114.605 -1.478 18087 602 1 2 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.434 -0.026 18087 603 1 2 . 1 1 18 18 HIS CA C 18 57.248 57.248 58.035 -0.787 18087 604 1 2 . 1 1 18 18 HIS CB C 18 31.262 31.262 30.034 1.228 18087 605 1 2 . 1 1 18 18 HIS H H 18 7.124 7.124 8.520 -1.396 18087 606 1 2 . 1 1 19 19 SER HA H 19 3.963 3.963 4.202 -0.239 18087 607 1 2 . 1 1 19 19 SER CA C 19 59.969 59.969 61.849 -1.880 18087 608 1 2 . 1 1 19 19 SER CB C 19 62.416 62.416 62.303 0.113 18087 609 1 2 . 1 1 20 20 GLY N N 20 107.243 107.243 108.264 -1.021 18087 610 1 2 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.453 -0.339 18087 611 1 2 . 1 1 20 20 GLY H H 20 7.915 7.915 7.735 0.180 18087 612 1 2 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.042 -0.085 18087 613 1 2 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.238 -0.193 18087 614 1 2 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.420 -0.483 18087 615 1 2 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.362 -0.320 18087 616 1 2 . 1 1 22 22 GLU CA C 22 58.755 58.755 55.778 2.977 18087 617 1 2 . 1 1 22 22 GLU CB C 22 30.184 30.184 32.388 -2.204 18087 618 1 2 . 1 1 23 23 GLY N N 23 111.113 111.113 108.697 2.416 18087 619 1 2 . 1 1 23 23 GLY CA C 23 46.790 46.790 45.228 1.562 18087 620 1 2 . 1 1 23 23 GLY H H 23 8.435 8.435 8.006 0.429 18087 621 1 2 . 1 1 24 24 ASP N N 24 123.994 123.994 123.964 0.030 18087 622 1 2 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.308 0.188 18087 623 1 2 . 1 1 24 24 ASP CA C 24 54.286 54.286 56.845 -2.559 18087 624 1 2 . 1 1 24 24 ASP CB C 24 42.002 42.002 41.256 0.746 18087 625 1 2 . 1 1 24 24 ASP H H 24 8.501 8.501 8.764 -0.263 18087 626 1 2 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.176 0.266 18087 627 1 2 . 1 1 25 25 LYS CA C 25 56.523 56.523 56.449 0.074 18087 628 1 2 . 1 1 25 25 LYS CB C 25 33.271 33.271 33.267 0.005 18087 629 1 2 . 1 1 26 26 TYR N N 26 119.967 119.967 119.385 0.582 18087 630 1 2 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.460 0.332 18087 631 1 2 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.130 0.889 18087 632 1 2 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.122 0.309 18087 633 1 2 . 1 1 26 26 TYR H H 26 8.712 8.712 7.599 1.113 18087 634 1 2 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.908 0.391 18087 635 1 2 . 1 1 27 27 LYS C C 27 174.308 174.308 173.645 0.663 18087 636 1 2 . 1 1 27 27 LYS CA C 27 54.365 54.365 54.946 -0.581 18087 637 1 2 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.288 0.106 18087 638 1 2 . 1 1 28 28 LEU N N 28 121.194 121.194 122.245 -1.051 18087 639 1 2 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.639 0.081 18087 640 1 2 . 1 1 28 28 LEU C C 28 178.895 178.895 174.740 4.155 18087 641 1 2 . 1 1 28 28 LEU CA C 28 52.968 52.968 52.858 0.110 18087 642 1 2 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.656 0.555 18087 643 1 2 . 1 1 28 28 LEU H H 28 8.632 8.632 8.977 -0.345 18087 644 1 2 . 1 1 29 29 SER N N 29 119.705 119.705 120.829 -1.124 18087 645 1 2 . 1 1 29 29 SER HA H 29 4.987 4.987 5.006 -0.019 18087 646 1 2 . 1 1 29 29 SER C C 29 175.742 175.742 175.565 0.177 18087 647 1 2 . 1 1 29 29 SER CA C 29 57.873 57.873 57.832 0.041 18087 648 1 2 . 1 1 29 29 SER CB C 29 64.531 64.531 64.627 -0.096 18087 649 1 2 . 1 1 29 29 SER H H 29 8.901 8.901 8.657 0.244 18087 650 1 2 . 1 1 30 30 LYS N N 30 124.208 124.208 121.864 2.344 18087 651 1 2 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.117 -0.303 18087 652 1 2 . 1 1 30 30 LYS C C 30 178.469 178.469 178.833 -0.364 18087 653 1 2 . 1 1 30 30 LYS CA C 30 61.433 61.433 56.778 4.655 18087 654 1 2 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.553 0.716 18087 655 1 2 . 1 1 30 30 LYS H H 30 8.836 8.836 8.883 -0.047 18087 656 1 2 . 1 1 31 31 LYS N N 31 119.570 119.570 119.565 0.005 18087 657 1 2 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.055 -0.009 18087 658 1 2 . 1 1 31 31 LYS C C 31 179.409 179.409 178.621 0.788 18087 659 1 2 . 1 1 31 31 LYS CA C 31 59.223 59.223 60.139 -0.916 18087 660 1 2 . 1 1 31 31 LYS CB C 31 32.386 32.386 31.929 0.457 18087 661 1 2 . 1 1 31 31 LYS H H 31 8.597 8.597 8.329 0.268 18087 662 1 2 . 1 1 32 32 GLU N N 32 119.551 119.551 119.002 0.549 18087 663 1 2 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.146 -0.100 18087 664 1 2 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.591 0.407 18087 665 1 2 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.211 -0.741 18087 666 1 2 . 1 1 32 32 GLU H H 32 7.442 7.442 7.747 -0.305 18087 667 1 2 . 1 1 33 33 LEU N N 33 121.725 121.725 121.659 0.066 18087 668 1 2 . 1 1 33 33 LEU HA H 33 4.068 4.068 4.010 0.058 18087 669 1 2 . 1 1 33 33 LEU C C 33 177.279 177.279 178.664 -1.385 18087 670 1 2 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.459 -1.063 18087 671 1 2 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.636 -1.051 18087 672 1 2 . 1 1 33 33 LEU H H 33 8.579 8.579 7.883 0.696 18087 673 1 2 . 1 1 34 34 LYS N N 34 120.543 120.543 117.986 2.557 18087 674 1 2 . 1 1 34 34 LYS HA H 34 3.636 3.636 4.004 -0.368 18087 675 1 2 . 1 1 34 34 LYS C C 34 177.868 177.868 179.276 -1.408 18087 676 1 2 . 1 1 34 34 LYS CA C 34 60.704 60.704 60.080 0.624 18087 677 1 2 . 1 1 34 34 LYS CB C 34 31.870 31.870 32.387 -0.517 18087 678 1 2 . 1 1 34 34 LYS H H 34 8.618 8.618 7.745 0.873 18087 679 1 2 . 1 1 35 35 GLU N N 35 117.340 117.340 119.429 -2.089 18087 680 1 2 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.101 -0.095 18087 681 1 2 . 1 1 35 35 GLU C C 35 179.008 179.008 179.291 -0.283 18087 682 1 2 . 1 1 35 35 GLU CA C 35 59.366 59.366 59.251 0.115 18087 683 1 2 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.891 -0.696 18087 684 1 2 . 1 1 35 35 GLU H H 35 7.713 7.713 7.802 -0.089 18087 685 1 2 . 1 1 36 36 LEU N N 36 122.745 122.745 120.521 2.224 18087 686 1 2 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.456 -0.443 18087 687 1 2 . 1 1 36 36 LEU C C 36 178.646 178.646 179.100 -0.454 18087 688 1 2 . 1 1 36 36 LEU CA C 36 58.376 58.376 57.785 0.591 18087 689 1 2 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.888 0.000 18087 690 1 2 . 1 1 36 36 LEU H H 36 8.150 8.150 8.681 -0.531 18087 691 1 2 . 1 1 37 37 LEU N N 37 118.881 118.881 121.613 -2.732 18087 692 1 2 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.103 -0.355 18087 693 1 2 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.480 -0.119 18087 694 1 2 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.147 0.266 18087 695 1 2 . 1 1 37 37 LEU H H 37 8.495 8.495 8.181 0.314 18087 696 1 2 . 1 1 38 38 GLN N N 38 115.311 115.311 116.730 -1.419 18087 697 1 2 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.022 -0.233 18087 698 1 2 . 1 1 38 38 GLN C C 38 177.826 177.826 177.820 0.006 18087 699 1 2 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.792 0.068 18087 700 1 2 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.164 0.157 18087 701 1 2 . 1 1 38 38 GLN H H 38 8.348 8.348 7.848 0.500 18087 702 1 2 . 1 1 39 39 THR N N 39 112.151 112.151 114.652 -2.501 18087 703 1 2 . 1 1 39 39 THR HA H 39 4.186 4.186 4.032 0.154 18087 704 1 2 . 1 1 39 39 THR C C 39 177.166 177.166 177.526 -0.360 18087 705 1 2 . 1 1 39 39 THR CA C 39 65.284 65.284 66.096 -0.812 18087 706 1 2 . 1 1 39 39 THR CB C 39 69.179 69.179 68.414 0.765 18087 707 1 2 . 1 1 39 39 THR H H 39 7.872 7.872 7.456 0.416 18087 708 1 2 . 1 1 40 40 GLU N N 40 119.602 119.602 121.633 -2.031 18087 709 1 2 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.296 0.070 18087 710 1 2 . 1 1 40 40 GLU C C 40 178.228 178.228 178.163 0.065 18087 711 1 2 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.540 0.083 18087 712 1 2 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.834 1.100 18087 713 1 2 . 1 1 40 40 GLU H H 40 8.713 8.713 8.491 0.222 18087 714 1 2 . 1 1 41 41 LEU N N 41 118.018 118.018 120.715 -2.697 18087 715 1 2 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.824 0.307 18087 716 1 2 . 1 1 41 41 LEU C C 41 176.993 176.993 176.895 0.098 18087 717 1 2 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.479 -0.660 18087 718 1 2 . 1 1 41 41 LEU CB C 41 41.962 41.962 41.429 0.533 18087 719 1 2 . 1 1 41 41 LEU H H 41 8.243 8.243 8.324 -0.081 18087 720 1 2 . 1 1 42 42 SER N N 42 114.483 114.483 117.297 -2.814 18087 721 1 2 . 1 1 42 42 SER HA H 42 3.950 3.950 4.300 -0.350 18087 722 1 2 . 1 1 42 42 SER C C 42 176.651 176.651 176.857 -0.206 18087 723 1 2 . 1 1 42 42 SER CA C 42 62.225 62.225 62.241 -0.016 18087 724 1 2 . 1 1 42 42 SER CB C 42 62.675 62.675 63.032 -0.357 18087 725 1 2 . 1 1 42 42 SER H H 42 7.019 7.019 7.536 -0.517 18087 726 1 2 . 1 1 43 43 GLY N N 43 109.381 109.381 109.670 -0.289 18087 727 1 2 . 1 1 43 43 GLY C C 43 176.476 176.476 175.875 0.601 18087 728 1 2 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.833 0.186 18087 729 1 2 . 1 1 43 43 GLY H H 43 8.666 8.666 8.658 0.008 18087 730 1 2 . 1 1 44 44 PHE N N 44 124.390 124.390 120.751 3.639 18087 731 1 2 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.319 0.008 18087 732 1 2 . 1 1 44 44 PHE C C 44 176.516 176.516 177.182 -0.666 18087 733 1 2 . 1 1 44 44 PHE CA C 44 60.094 60.094 61.148 -1.054 18087 734 1 2 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.914 0.310 18087 735 1 2 . 1 1 44 44 PHE H H 44 8.226 8.226 7.551 0.675 18087 736 1 2 . 1 1 45 45 LEU N N 45 117.156 117.156 120.963 -3.807 18087 737 1 2 . 1 1 45 45 LEU HA H 45 3.418 3.418 4.278 -0.860 18087 738 1 2 . 1 1 45 45 LEU C C 45 179.673 179.673 178.025 1.648 18087 739 1 2 . 1 1 45 45 LEU CA C 45 57.522 57.522 57.896 -0.374 18087 740 1 2 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.728 -1.114 18087 741 1 2 . 1 1 45 45 LEU H H 45 8.627 8.627 8.909 -0.282 18087 742 1 2 . 1 1 46 46 ASP N N 46 117.663 117.663 117.612 0.051 18087 743 1 2 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.445 -0.100 18087 744 1 2 . 1 1 46 46 ASP C C 46 177.844 177.844 178.814 -0.970 18087 745 1 2 . 1 1 46 46 ASP CA C 46 56.784 56.784 56.864 -0.079 18087 746 1 2 . 1 1 46 46 ASP CB C 46 41.130 41.130 41.347 -0.217 18087 747 1 2 . 1 1 46 46 ASP H H 46 7.933 7.933 8.485 -0.552 18087 748 1 2 . 1 1 47 47 ALA N N 47 119.795 119.795 121.847 -2.052 18087 749 1 2 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.160 0.043 18087 750 1 2 . 1 1 47 47 ALA C C 47 179.300 179.300 178.721 0.579 18087 751 1 2 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.573 -1.211 18087 752 1 2 . 1 1 47 47 ALA CB C 47 19.011 19.011 19.017 -0.006 18087 753 1 2 . 1 1 47 47 ALA H H 47 7.380 7.380 7.774 -0.394 18087 754 1 2 . 1 1 48 48 GLN N N 48 115.955 115.955 114.534 1.421 18087 755 1 2 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.626 -0.356 18087 756 1 2 . 1 1 48 48 GLN C C 48 175.355 175.355 176.410 -1.055 18087 757 1 2 . 1 1 48 48 GLN CA C 48 54.026 54.026 54.096 -0.070 18087 758 1 2 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.434 1.125 18087 759 1 2 . 1 1 48 48 GLN H H 48 7.369 7.369 8.209 -0.840 18087 760 1 2 . 1 1 49 49 LYS N N 49 119.402 119.402 120.910 -1.508 18087 761 1 2 . 1 1 49 49 LYS HA H 49 4.016 4.016 3.984 0.032 18087 762 1 2 . 1 1 49 49 LYS C C 49 176.255 176.255 176.647 -0.392 18087 763 1 2 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.579 -1.395 18087 764 1 2 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.438 -0.335 18087 765 1 2 . 1 1 49 49 LYS H H 49 7.152 7.152 7.531 -0.379 18087 766 1 2 . 1 1 50 50 ASP N N 50 117.172 117.172 114.717 2.455 18087 767 1 2 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.547 0.048 18087 768 1 2 . 1 1 50 50 ASP C C 50 175.916 175.916 175.715 0.201 18087 769 1 2 . 1 1 50 50 ASP CA C 50 54.217 54.217 53.182 1.035 18087 770 1 2 . 1 1 50 50 ASP CB C 50 40.309 40.309 40.151 0.158 18087 771 1 2 . 1 1 50 50 ASP H H 50 8.338 8.338 8.303 0.035 18087 772 1 2 . 1 1 51 51 VAL N N 51 121.648 121.648 121.562 0.086 18087 773 1 2 . 1 1 51 51 VAL HA H 51 3.997 3.997 4.032 -0.035 18087 774 1 2 . 1 1 51 51 VAL C C 51 177.128 177.128 176.403 0.725 18087 775 1 2 . 1 1 51 51 VAL CA C 51 62.404 62.404 61.344 1.060 18087 776 1 2 . 1 1 51 51 VAL CB C 51 31.921 31.921 33.172 -1.250 18087 777 1 2 . 1 1 51 51 VAL H H 51 7.604 7.604 7.117 0.487 18087 778 1 2 . 1 1 52 52 ASP N N 52 129.202 129.202 129.189 0.013 18087 779 1 2 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.181 0.092 18087 780 1 2 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.545 0.638 18087 781 1 2 . 1 1 52 52 ASP CB C 52 40.935 40.935 40.925 0.010 18087 782 1 2 . 1 1 52 52 ASP H H 52 8.702 8.702 8.978 -0.276 18087 783 1 2 . 1 1 53 53 ALA N N 53 118.401 118.401 121.657 -3.256 18087 784 1 2 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.126 -0.114 18087 785 1 2 . 1 1 53 53 ALA C C 53 179.448 179.448 179.632 -0.184 18087 786 1 2 . 1 1 53 53 ALA CA C 53 55.053 55.053 54.458 0.595 18087 787 1 2 . 1 1 53 53 ALA CB C 53 19.364 19.364 17.969 1.395 18087 788 1 2 . 1 1 53 53 ALA H H 53 8.478 8.478 8.314 0.164 18087 789 1 2 . 1 1 54 54 VAL N N 54 115.050 115.050 118.236 -3.186 18087 790 1 2 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.549 -0.007 18087 791 1 2 . 1 1 54 54 VAL C C 54 177.000 177.000 177.196 -0.196 18087 792 1 2 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.569 -1.349 18087 793 1 2 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.822 0.237 18087 794 1 2 . 1 1 54 54 VAL H H 54 6.988 6.988 7.911 -0.923 18087 795 1 2 . 1 1 55 55 ASP N N 55 120.834 120.834 119.215 1.619 18087 796 1 2 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.382 -0.104 18087 797 1 2 . 1 1 55 55 ASP C C 55 178.307 178.307 178.378 -0.071 18087 798 1 2 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.395 0.228 18087 799 1 2 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.814 0.963 18087 800 1 2 . 1 1 55 55 ASP H H 55 8.157 8.157 7.763 0.394 18087 801 1 2 . 1 1 56 56 LYS N N 56 115.672 115.672 119.947 -4.275 18087 802 1 2 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.051 -0.163 18087 803 1 2 . 1 1 56 56 LYS C C 56 179.372 179.372 179.074 0.298 18087 804 1 2 . 1 1 56 56 LYS CA C 56 59.608 59.608 58.827 0.782 18087 805 1 2 . 1 1 56 56 LYS CB C 56 32.378 32.378 31.922 0.456 18087 806 1 2 . 1 1 56 56 LYS H H 56 8.348 8.348 7.559 0.789 18087 807 1 2 . 1 1 57 57 VAL N N 57 118.238 118.238 119.691 -1.453 18087 808 1 2 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.546 0.183 18087 809 1 2 . 1 1 57 57 VAL C C 57 177.541 177.541 177.899 -0.358 18087 810 1 2 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.571 -0.869 18087 811 1 2 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.532 0.386 18087 812 1 2 . 1 1 57 57 VAL H H 57 7.003 7.003 8.304 -1.301 18087 813 1 2 . 1 1 58 58 MET N N 58 115.998 115.998 117.758 -1.760 18087 814 1 2 . 1 1 58 58 MET HA H 58 4.313 4.313 4.088 0.225 18087 815 1 2 . 1 1 58 58 MET C C 58 179.857 179.857 178.278 1.579 18087 816 1 2 . 1 1 58 58 MET CA C 58 56.717 56.717 59.197 -2.480 18087 817 1 2 . 1 1 58 58 MET CB C 58 32.366 32.366 31.760 0.606 18087 818 1 2 . 1 1 58 58 MET H H 58 7.836 7.836 7.483 0.353 18087 819 1 2 . 1 1 59 59 LYS N N 59 119.682 119.682 120.982 -1.300 18087 820 1 2 . 1 1 59 59 LYS HA H 59 4.088 4.088 3.995 0.093 18087 821 1 2 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.497 -0.055 18087 822 1 2 . 1 1 59 59 LYS CB C 59 32.504 32.504 31.797 0.707 18087 823 1 2 . 1 1 59 59 LYS H H 59 8.619 8.619 8.454 0.165 18087 824 1 2 . 1 1 60 60 GLU N N 60 119.917 119.917 118.970 0.947 18087 825 1 2 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.096 -0.160 18087 826 1 2 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.271 -0.031 18087 827 1 2 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.423 0.666 18087 828 1 2 . 1 1 60 60 GLU H H 60 7.721 7.721 8.434 -0.713 18087 829 1 2 . 1 1 61 61 LEU N N 61 116.614 116.614 120.821 -4.207 18087 830 1 2 . 1 1 61 61 LEU HA H 61 4.023 4.023 3.935 0.088 18087 831 1 2 . 1 1 61 61 LEU C C 61 175.845 175.845 179.006 -3.161 18087 832 1 2 . 1 1 61 61 LEU CA C 61 56.515 56.515 57.614 -1.099 18087 833 1 2 . 1 1 61 61 LEU CB C 61 41.218 41.218 41.707 -0.489 18087 834 1 2 . 1 1 61 61 LEU H H 61 7.429 7.429 8.043 -0.614 18087 835 1 2 . 1 1 62 62 ASP N N 62 116.147 116.147 118.962 -2.815 18087 836 1 2 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.430 0.093 18087 837 1 2 . 1 1 62 62 ASP C C 62 177.790 177.790 179.827 -2.037 18087 838 1 2 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.180 -1.754 18087 839 1 2 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.406 1.474 18087 840 1 2 . 1 1 62 62 ASP H H 62 7.423 7.423 8.653 -1.230 18087 841 1 2 . 1 1 63 63 GLU N N 63 119.660 119.660 119.764 -0.104 18087 842 1 2 . 1 1 63 63 GLU HA H 63 4.136 4.136 4.099 0.037 18087 843 1 2 . 1 1 63 63 GLU CA C 63 57.377 57.377 58.817 -1.440 18087 844 1 2 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.621 0.368 18087 845 1 2 . 1 1 63 63 GLU H H 63 7.837 7.837 8.478 -0.641 18087 846 1 2 . 1 1 64 64 ASN N N 64 118.376 118.376 115.991 2.385 18087 847 1 2 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.743 0.119 18087 848 1 2 . 1 1 64 64 ASN C C 64 176.216 176.216 175.562 0.654 18087 849 1 2 . 1 1 64 64 ASN CA C 64 52.688 52.688 53.350 -0.662 18087 850 1 2 . 1 1 64 64 ASN CB C 64 38.185 38.185 38.908 -0.723 18087 851 1 2 . 1 1 64 64 ASN H H 64 8.012 8.012 7.864 0.148 18087 852 1 2 . 1 1 65 65 GLY N N 65 107.248 107.248 107.567 -0.319 18087 853 1 2 . 1 1 65 65 GLY C C 65 173.971 173.971 174.466 -0.495 18087 854 1 2 . 1 1 65 65 GLY CA C 65 47.136 47.136 44.663 2.473 18087 855 1 2 . 1 1 65 65 GLY H H 65 7.989 7.989 8.087 -0.098 18087 856 1 2 . 1 1 66 66 ASP N N 66 116.989 116.989 120.277 -3.288 18087 857 1 2 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.360 0.428 18087 858 1 2 . 1 1 66 66 ASP C C 66 177.289 177.289 176.837 0.452 18087 859 1 2 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.005 -1.839 18087 860 1 2 . 1 1 66 66 ASP CB C 66 40.987 40.987 40.996 -0.009 18087 861 1 2 . 1 1 66 66 ASP H H 66 8.233 8.233 8.063 0.170 18087 862 1 2 . 1 1 67 67 GLY N N 67 108.642 108.642 105.167 3.475 18087 863 1 2 . 1 1 67 67 GLY C C 67 172.757 172.757 172.716 0.041 18087 864 1 2 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.813 -0.597 18087 865 1 2 . 1 1 67 67 GLY H H 67 8.274 8.274 8.161 0.113 18087 866 1 2 . 1 1 68 68 GLU N N 68 118.614 118.614 121.578 -2.964 18087 867 1 2 . 1 1 68 68 GLU HA H 68 4.955 4.955 5.110 -0.155 18087 868 1 2 . 1 1 68 68 GLU C C 68 175.881 175.881 175.081 0.800 18087 869 1 2 . 1 1 68 68 GLU CA C 68 55.365 55.365 56.203 -0.838 18087 870 1 2 . 1 1 68 68 GLU CB C 68 33.488 33.488 32.204 1.284 18087 871 1 2 . 1 1 68 68 GLU H H 68 8.404 8.404 7.849 0.555 18087 872 1 2 . 1 1 69 69 VAL N N 69 117.572 117.572 121.714 -4.142 18087 873 1 2 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.829 -0.064 18087 874 1 2 . 1 1 69 69 VAL C C 69 174.820 174.820 173.802 1.018 18087 875 1 2 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.678 0.273 18087 876 1 2 . 1 1 69 69 VAL CB C 69 34.352 34.352 35.831 -1.479 18087 877 1 2 . 1 1 69 69 VAL H H 69 9.167 9.167 9.381 -0.214 18087 878 1 2 . 1 1 70 70 ASP N N 70 122.616 122.616 128.848 -6.232 18087 879 1 2 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.093 0.121 18087 880 1 2 . 1 1 70 70 ASP C C 70 175.822 175.822 176.291 -0.469 18087 881 1 2 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.508 -1.132 18087 882 1 2 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.478 -1.286 18087 883 1 2 . 1 1 70 70 ASP H H 70 8.292 8.292 8.444 -0.152 18087 884 1 2 . 1 1 71 71 PHE N N 71 119.243 119.243 120.180 -0.937 18087 885 1 2 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.411 -0.660 18087 886 1 2 . 1 1 71 71 PHE C C 71 176.387 176.387 176.918 -0.531 18087 887 1 2 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.852 1.113 18087 888 1 2 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.059 0.081 18087 889 1 2 . 1 1 71 71 PHE H H 71 8.889 8.889 8.622 0.267 18087 890 1 2 . 1 1 72 72 GLN N N 72 116.655 116.655 117.879 -1.224 18087 891 1 2 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.794 -0.086 18087 892 1 2 . 1 1 72 72 GLN C C 72 177.102 177.102 177.963 -0.861 18087 893 1 2 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.651 -0.376 18087 894 1 2 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.195 -0.028 18087 895 1 2 . 1 1 72 72 GLN H H 72 8.021 8.021 8.261 -0.240 18087 896 1 2 . 1 1 73 73 GLU N N 73 119.195 119.195 119.387 -0.192 18087 897 1 2 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.069 0.424 18087 898 1 2 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.141 -3.962 18087 899 1 2 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.341 2.473 18087 900 1 2 . 1 1 73 73 GLU H H 73 8.066 8.066 8.354 -0.288 18087 901 1 2 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.104 -0.018 18087 902 1 2 . 1 1 74 74 TYR CA C 74 60.497 60.497 60.943 -0.446 18087 903 1 2 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.585 -0.759 18087 904 1 2 . 1 1 75 75 VAL N N 75 120.072 120.072 115.808 4.264 18087 905 1 2 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.006 -0.023 18087 906 1 2 . 1 1 75 75 VAL C C 75 177.295 177.295 177.517 -0.222 18087 907 1 2 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.834 -0.142 18087 908 1 2 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.804 -0.186 18087 909 1 2 . 1 1 75 75 VAL H H 75 8.291 8.291 8.294 -0.003 18087 910 1 2 . 1 1 76 76 VAL N N 76 121.367 121.367 120.787 0.580 18087 911 1 2 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.618 -0.098 18087 912 1 2 . 1 1 76 76 VAL C C 76 178.847 178.847 177.303 1.544 18087 913 1 2 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.556 0.997 18087 914 1 2 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.519 -0.131 18087 915 1 2 . 1 1 76 76 VAL H H 76 7.571 7.571 7.249 0.322 18087 916 1 2 . 1 1 77 77 LEU N N 77 123.054 123.054 121.476 1.578 18087 917 1 2 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.908 0.221 18087 918 1 2 . 1 1 77 77 LEU C C 77 179.065 179.065 177.974 1.091 18087 919 1 2 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.367 0.124 18087 920 1 2 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.614 -0.318 18087 921 1 2 . 1 1 77 77 LEU H H 77 7.360 7.360 7.611 -0.251 18087 922 1 2 . 1 1 78 78 VAL N N 78 119.163 119.163 115.495 3.668 18087 923 1 2 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.486 -0.213 18087 924 1 2 . 1 1 78 78 VAL C C 78 180.217 180.217 177.633 2.584 18087 925 1 2 . 1 1 78 78 VAL CA C 78 67.270 67.270 66.329 0.941 18087 926 1 2 . 1 1 78 78 VAL CB C 78 31.181 31.181 31.036 0.145 18087 927 1 2 . 1 1 78 78 VAL H H 78 8.192 8.192 7.687 0.505 18087 928 1 2 . 1 1 79 79 ALA N N 79 125.884 125.884 123.396 2.488 18087 929 1 2 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.737 0.060 18087 930 1 2 . 1 1 79 79 ALA C C 79 178.708 178.708 178.750 -0.042 18087 931 1 2 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.177 0.714 18087 932 1 2 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.974 -0.612 18087 933 1 2 . 1 1 79 79 ALA H H 79 9.067 9.067 8.536 0.531 18087 934 1 2 . 1 1 80 80 ALA N N 80 121.108 121.108 121.601 -0.493 18087 935 1 2 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.946 0.178 18087 936 1 2 . 1 1 80 80 ALA C C 80 182.175 182.175 179.652 2.523 18087 937 1 2 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.198 0.225 18087 938 1 2 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.087 -0.418 18087 939 1 2 . 1 1 80 80 ALA H H 80 7.776 7.776 8.653 -0.877 18087 940 1 2 . 1 1 81 81 LEU N N 81 118.519 118.519 117.984 0.535 18087 941 1 2 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.884 0.234 18087 942 1 2 . 1 1 81 81 LEU C C 81 177.959 177.959 179.143 -1.184 18087 943 1 2 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.954 -0.465 18087 944 1 2 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.534 0.635 18087 945 1 2 . 1 1 81 81 LEU H H 81 8.097 8.097 7.675 0.422 18087 946 1 2 . 1 1 82 82 THR N N 82 119.572 119.572 115.886 3.686 18087 947 1 2 . 1 1 82 82 THR HA H 82 3.777 3.777 3.227 0.550 18087 948 1 2 . 1 1 82 82 THR C C 82 176.911 176.911 176.405 0.506 18087 949 1 2 . 1 1 82 82 THR CA C 82 68.058 68.058 66.875 1.183 18087 950 1 2 . 1 1 82 82 THR CB C 82 67.402 67.402 68.180 -0.777 18087 951 1 2 . 1 1 82 82 THR H H 82 8.537 8.537 8.076 0.461 18087 952 1 2 . 1 1 83 83 VAL N N 83 123.805 123.805 121.912 1.893 18087 953 1 2 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.743 -0.013 18087 954 1 2 . 1 1 83 83 VAL C C 83 177.787 177.787 176.844 0.943 18087 955 1 2 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.228 2.166 18087 956 1 2 . 1 1 83 83 VAL CB C 83 31.691 31.691 30.919 0.772 18087 957 1 2 . 1 1 83 83 VAL H H 83 8.283 8.283 8.652 -0.369 18087 958 1 2 . 1 1 84 84 ALA N N 84 121.134 121.134 123.629 -2.495 18087 959 1 2 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.959 0.277 18087 960 1 2 . 1 1 84 84 ALA C C 84 180.511 180.511 180.013 0.498 18087 961 1 2 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.599 -0.424 18087 962 1 2 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.273 -0.846 18087 963 1 2 . 1 1 84 84 ALA H H 84 7.466 7.466 8.555 -1.089 18087 964 1 2 . 1 1 85 85 MET N N 85 121.755 121.755 117.116 4.639 18087 965 1 2 . 1 1 85 85 MET HA H 85 3.796 3.796 4.184 -0.388 18087 966 1 2 . 1 1 85 85 MET CA C 85 59.656 59.656 57.375 2.281 18087 967 1 2 . 1 1 85 85 MET CB C 85 33.653 33.653 31.751 1.902 18087 968 1 2 . 1 1 85 85 MET H H 85 8.549 8.549 8.013 0.536 18087 969 1 2 . 1 1 86 86 ASN N N 86 119.410 119.410 120.129 -0.719 18087 970 1 2 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.732 -0.580 18087 971 1 2 . 1 1 86 86 ASN C C 86 176.834 176.834 178.052 -1.218 18087 972 1 2 . 1 1 86 86 ASN CA C 86 58.062 58.062 57.346 0.716 18087 973 1 2 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.529 1.401 18087 974 1 2 . 1 1 86 86 ASN H H 86 8.615 8.615 9.184 -0.569 18087 975 1 2 . 1 1 87 87 ASN N N 87 117.077 117.077 119.000 -1.923 18087 976 1 2 . 1 1 87 87 ASN HA H 87 4.446 4.446 4.843 -0.397 18087 977 1 2 . 1 1 87 87 ASN C C 87 176.906 176.906 177.389 -0.483 18087 978 1 2 . 1 1 87 87 ASN CA C 87 55.602 55.602 56.057 -0.455 18087 979 1 2 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.477 -0.901 18087 980 1 2 . 1 1 87 87 ASN H H 87 8.286 8.286 8.906 -0.620 18087 981 1 2 . 1 1 88 88 PHE N N 88 119.698 119.698 121.725 -2.027 18087 982 1 2 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.263 0.215 18087 983 1 2 . 1 1 88 88 PHE C C 88 177.057 177.057 177.598 -0.541 18087 984 1 2 . 1 1 88 88 PHE CA C 88 59.546 59.546 60.826 -1.280 18087 985 1 2 . 1 1 88 88 PHE CB C 88 39.611 39.611 39.112 0.499 18087 986 1 2 . 1 1 88 88 PHE H H 88 7.909 7.909 8.105 -0.196 18087 987 1 2 . 1 1 89 89 PHE N N 89 116.219 116.219 118.665 -2.446 18087 988 1 2 . 1 1 89 89 PHE HA H 89 4.210 4.210 3.942 0.268 18087 989 1 2 . 1 1 89 89 PHE C C 89 177.637 177.637 177.190 0.447 18087 990 1 2 . 1 1 89 89 PHE CA C 89 58.752 58.752 61.392 -2.640 18087 991 1 2 . 1 1 89 89 PHE CB C 89 39.781 39.781 38.392 1.389 18087 992 1 2 . 1 1 89 89 PHE H H 89 8.049 8.049 8.520 -0.471 18087 993 1 2 . 1 1 90 90 TRP N N 90 117.712 117.712 118.500 -0.788 18087 994 1 2 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.339 0.189 18087 995 1 2 . 1 1 90 90 TRP C C 90 176.741 176.741 177.689 -0.948 18087 996 1 2 . 1 1 90 90 TRP CA C 90 58.109 58.109 59.186 -1.077 18087 997 1 2 . 1 1 90 90 TRP CB C 90 29.720 29.720 29.268 0.452 18087 998 1 2 . 1 1 90 90 TRP H H 90 8.257 8.257 7.256 1.001 18087 999 1 2 . 1 1 91 91 GLU N N 91 120.493 120.493 115.988 4.505 18087 1000 1 2 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.232 0.196 18087 1001 1 2 . 1 1 91 91 GLU C C 91 176.393 176.393 176.073 0.320 18087 1002 1 2 . 1 1 91 91 GLU CA C 91 57.193 57.193 56.202 0.991 18087 1003 1 2 . 1 1 91 91 GLU CB C 91 29.850 29.850 30.440 -0.590 18087 1004 1 2 . 1 1 91 91 GLU H H 91 7.988 7.988 8.452 -0.464 18087 1005 1 2 . 1 1 92 92 ASN N N 92 119.006 119.006 117.096 1.910 18087 1006 1 2 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.609 0.178 18087 1007 1 2 . 1 1 92 92 ASN C C 92 174.284 174.284 173.896 0.388 18087 1008 1 2 . 1 1 92 92 ASN CA C 92 53.198 53.198 52.701 0.497 18087 1009 1 2 . 1 1 92 92 ASN CB C 92 39.233 39.233 40.562 -1.329 18087 1010 1 2 . 1 1 92 92 ASN H H 92 8.203 8.203 8.237 -0.034 18087 1011 1 3 . 1 1 2 2 SER N N 2 117.254 117.254 117.741 -0.487 18087 1012 1 3 . 1 1 2 2 SER HA H 2 4.737 4.737 4.426 0.311 18087 1013 1 3 . 1 1 2 2 SER C C 2 175.320 175.320 175.817 -0.497 18087 1014 1 3 . 1 1 2 2 SER CA C 2 57.476 57.476 57.797 -0.321 18087 1015 1 3 . 1 1 2 2 SER CB C 2 64.594 64.594 64.347 0.247 18087 1016 1 3 . 1 1 2 2 SER H H 2 8.686 8.686 8.401 0.285 18087 1017 1 3 . 1 1 3 3 GLU N N 3 124.640 124.640 121.293 3.347 18087 1018 1 3 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.051 0.057 18087 1019 1 3 . 1 1 3 3 GLU C C 3 178.972 178.972 178.689 0.283 18087 1020 1 3 . 1 1 3 3 GLU CA C 3 60.375 60.375 59.954 0.421 18087 1021 1 3 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.114 0.630 18087 1022 1 3 . 1 1 3 3 GLU H H 3 9.242 9.242 8.809 0.433 18087 1023 1 3 . 1 1 4 4 LEU N N 4 119.682 119.682 119.543 0.139 18087 1024 1 3 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.118 -0.166 18087 1025 1 3 . 1 1 4 4 LEU C C 4 178.027 178.027 179.257 -1.230 18087 1026 1 3 . 1 1 4 4 LEU CA C 4 58.179 58.179 57.785 0.394 18087 1027 1 3 . 1 1 4 4 LEU CB C 4 42.308 42.308 40.591 1.717 18087 1028 1 3 . 1 1 4 4 LEU H H 4 8.952 8.952 8.334 0.618 18087 1029 1 3 . 1 1 5 5 GLU N N 5 118.542 118.542 119.354 -0.812 18087 1030 1 3 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.021 -0.229 18087 1031 1 3 . 1 1 5 5 GLU C C 5 178.389 178.389 179.306 -0.917 18087 1032 1 3 . 1 1 5 5 GLU CA C 5 60.051 60.051 59.703 0.348 18087 1033 1 3 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.425 0.558 18087 1034 1 3 . 1 1 5 5 GLU H H 5 7.968 7.968 8.116 -0.148 18087 1035 1 3 . 1 1 6 6 THR N N 6 114.278 114.278 117.069 -2.791 18087 1036 1 3 . 1 1 6 6 THR HA H 6 4.015 4.015 4.062 -0.047 18087 1037 1 3 . 1 1 6 6 THR C C 6 176.990 176.990 176.995 -0.005 18087 1038 1 3 . 1 1 6 6 THR CA C 6 66.450 66.450 66.839 -0.389 18087 1039 1 3 . 1 1 6 6 THR CB C 6 68.637 68.637 68.645 -0.008 18087 1040 1 3 . 1 1 6 6 THR H H 6 8.177 8.177 7.788 0.389 18087 1041 1 3 . 1 1 7 7 ALA N N 7 126.659 126.659 126.653 0.006 18087 1042 1 3 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.084 0.079 18087 1043 1 3 . 1 1 7 7 ALA C C 7 179.338 179.338 179.709 -0.371 18087 1044 1 3 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.280 0.535 18087 1045 1 3 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.292 -0.108 18087 1046 1 3 . 1 1 7 7 ALA H H 7 8.166 8.166 8.979 -0.813 18087 1047 1 3 . 1 1 8 8 MET N N 8 117.727 117.727 117.194 0.533 18087 1048 1 3 . 1 1 8 8 MET HA H 8 3.731 3.731 4.278 -0.547 18087 1049 1 3 . 1 1 8 8 MET C C 8 178.071 178.071 179.084 -1.013 18087 1050 1 3 . 1 1 8 8 MET CA C 8 60.447 60.447 57.201 3.246 18087 1051 1 3 . 1 1 8 8 MET CB C 8 34.928 34.928 31.438 3.490 18087 1052 1 3 . 1 1 8 8 MET H H 8 8.090 8.090 8.731 -0.641 18087 1053 1 3 . 1 1 9 9 GLU N N 9 117.303 117.303 120.404 -3.101 18087 1054 1 3 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.963 -0.056 18087 1055 1 3 . 1 1 9 9 GLU C C 9 179.261 179.261 178.964 0.297 18087 1056 1 3 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.666 0.364 18087 1057 1 3 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.456 0.043 18087 1058 1 3 . 1 1 9 9 GLU H H 9 8.603 8.603 8.866 -0.263 18087 1059 1 3 . 1 1 10 10 THR N N 10 117.583 117.583 118.203 -0.620 18087 1060 1 3 . 1 1 10 10 THR HA H 10 4.088 4.088 4.062 0.026 18087 1061 1 3 . 1 1 10 10 THR C C 10 175.758 175.758 176.599 -0.841 18087 1062 1 3 . 1 1 10 10 THR CA C 10 67.439 67.439 67.542 -0.103 18087 1063 1 3 . 1 1 10 10 THR CB C 10 68.014 68.014 68.433 -0.419 18087 1064 1 3 . 1 1 10 10 THR H H 10 8.483 8.483 8.841 -0.358 18087 1065 1 3 . 1 1 11 11 LEU N N 11 119.623 119.623 121.951 -2.328 18087 1066 1 3 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.284 -0.314 18087 1067 1 3 . 1 1 11 11 LEU C C 11 178.935 178.935 179.294 -0.359 18087 1068 1 3 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.354 0.821 18087 1069 1 3 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.669 0.192 18087 1070 1 3 . 1 1 11 11 LEU H H 11 8.013 8.013 8.004 0.009 18087 1071 1 3 . 1 1 12 12 ILE N N 12 119.751 119.751 120.422 -0.671 18087 1072 1 3 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.464 0.529 18087 1073 1 3 . 1 1 12 12 ILE C C 12 177.717 177.717 178.088 -0.371 18087 1074 1 3 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.116 1.632 18087 1075 1 3 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.289 2.977 18087 1076 1 3 . 1 1 12 12 ILE H H 12 7.708 7.708 8.571 -0.863 18087 1077 1 3 . 1 1 13 13 ASN N N 13 121.260 121.260 119.615 1.645 18087 1078 1 3 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.601 -0.034 18087 1079 1 3 . 1 1 13 13 ASN C C 13 178.941 178.941 178.295 0.646 18087 1080 1 3 . 1 1 13 13 ASN CA C 13 56.339 56.339 56.647 -0.308 18087 1081 1 3 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.344 -0.250 18087 1082 1 3 . 1 1 13 13 ASN H H 13 9.125 9.125 8.876 0.249 18087 1083 1 3 . 1 1 14 14 VAL N N 14 120.868 120.868 118.248 2.620 18087 1084 1 3 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.832 0.035 18087 1085 1 3 . 1 1 14 14 VAL C C 14 177.827 177.827 177.603 0.224 18087 1086 1 3 . 1 1 14 14 VAL CA C 14 66.715 66.715 66.826 -0.111 18087 1087 1 3 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.529 0.373 18087 1088 1 3 . 1 1 14 14 VAL H H 14 8.965 8.965 8.352 0.613 18087 1089 1 3 . 1 1 15 15 PHE N N 15 117.672 117.672 122.181 -4.509 18087 1090 1 3 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.881 -0.434 18087 1091 1 3 . 1 1 15 15 PHE C C 15 177.713 177.713 177.156 0.557 18087 1092 1 3 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.690 -0.249 18087 1093 1 3 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.294 -0.113 18087 1094 1 3 . 1 1 15 15 PHE H H 15 6.968 6.968 8.729 -1.761 18087 1095 1 3 . 1 1 16 16 HIS N N 16 115.122 115.122 119.284 -4.162 18087 1096 1 3 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.348 0.021 18087 1097 1 3 . 1 1 16 16 HIS C C 16 176.987 176.987 177.834 -0.847 18087 1098 1 3 . 1 1 16 16 HIS CA C 16 58.413 58.413 59.114 -0.701 18087 1099 1 3 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.247 -0.987 18087 1100 1 3 . 1 1 16 16 HIS H H 16 8.020 8.020 9.181 -1.161 18087 1101 1 3 . 1 1 17 17 ALA N N 17 122.533 122.533 122.668 -0.135 18087 1102 1 3 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.943 0.174 18087 1103 1 3 . 1 1 17 17 ALA CA C 17 54.064 54.064 55.279 -1.214 18087 1104 1 3 . 1 1 17 17 ALA CB C 17 17.908 17.908 18.016 -0.108 18087 1105 1 3 . 1 1 17 17 ALA H H 17 8.282 8.282 8.786 -0.504 18087 1106 1 3 . 1 1 18 18 HIS N N 18 113.127 113.127 116.928 -3.801 18087 1107 1 3 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.312 0.096 18087 1108 1 3 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.545 -2.297 18087 1109 1 3 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.729 1.533 18087 1110 1 3 . 1 1 18 18 HIS H H 18 7.124 7.124 8.759 -1.635 18087 1111 1 3 . 1 1 19 19 SER HA H 19 3.963 3.963 4.255 -0.292 18087 1112 1 3 . 1 1 19 19 SER CA C 19 59.969 59.969 61.946 -1.977 18087 1113 1 3 . 1 1 19 19 SER CB C 19 62.416 62.416 62.837 -0.421 18087 1114 1 3 . 1 1 20 20 GLY N N 20 107.243 107.243 107.337 -0.094 18087 1115 1 3 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.104 0.010 18087 1116 1 3 . 1 1 20 20 GLY H H 20 7.915 7.915 8.223 -0.308 18087 1117 1 3 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.497 -0.540 18087 1118 1 3 . 1 1 21 21 LYS CA C 21 58.045 58.045 56.718 1.327 18087 1119 1 3 . 1 1 21 21 LYS CB C 21 31.937 31.937 33.212 -1.275 18087 1120 1 3 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.455 -0.413 18087 1121 1 3 . 1 1 22 22 GLU CA C 22 58.755 58.755 56.283 2.472 18087 1122 1 3 . 1 1 22 22 GLU CB C 22 30.184 30.184 31.262 -1.078 18087 1123 1 3 . 1 1 23 23 GLY N N 23 111.113 111.113 107.981 3.132 18087 1124 1 3 . 1 1 23 23 GLY CA C 23 46.790 46.790 43.756 3.034 18087 1125 1 3 . 1 1 23 23 GLY H H 23 8.435 8.435 7.438 0.997 18087 1126 1 3 . 1 1 24 24 ASP N N 24 123.994 123.994 118.906 5.088 18087 1127 1 3 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.568 -0.072 18087 1128 1 3 . 1 1 24 24 ASP CA C 24 54.286 54.286 53.345 0.941 18087 1129 1 3 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.220 -0.218 18087 1130 1 3 . 1 1 24 24 ASP H H 24 8.501 8.501 8.388 0.113 18087 1131 1 3 . 1 1 25 25 LYS HA H 25 4.442 4.442 3.968 0.474 18087 1132 1 3 . 1 1 25 25 LYS CA C 25 56.523 56.523 57.806 -1.283 18087 1133 1 3 . 1 1 25 25 LYS CB C 25 33.271 33.271 31.974 1.297 18087 1134 1 3 . 1 1 26 26 TYR N N 26 119.967 119.967 115.150 4.817 18087 1135 1 3 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.847 -0.055 18087 1136 1 3 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.520 0.499 18087 1137 1 3 . 1 1 26 26 TYR CB C 26 38.431 38.431 39.068 -0.637 18087 1138 1 3 . 1 1 26 26 TYR H H 26 8.712 8.712 7.014 1.698 18087 1139 1 3 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.946 0.353 18087 1140 1 3 . 1 1 27 27 LYS C C 27 174.308 174.308 173.443 0.865 18087 1141 1 3 . 1 1 27 27 LYS CA C 27 54.365 54.365 55.152 -0.787 18087 1142 1 3 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.467 -0.073 18087 1143 1 3 . 1 1 28 28 LEU N N 28 121.194 121.194 123.073 -1.879 18087 1144 1 3 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.604 0.116 18087 1145 1 3 . 1 1 28 28 LEU C C 28 178.895 178.895 174.754 4.141 18087 1146 1 3 . 1 1 28 28 LEU CA C 28 52.968 52.968 53.013 -0.045 18087 1147 1 3 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.504 0.707 18087 1148 1 3 . 1 1 28 28 LEU H H 28 8.632 8.632 9.211 -0.579 18087 1149 1 3 . 1 1 29 29 SER N N 29 119.705 119.705 121.346 -1.641 18087 1150 1 3 . 1 1 29 29 SER HA H 29 4.987 4.987 4.670 0.317 18087 1151 1 3 . 1 1 29 29 SER C C 29 175.742 175.742 175.303 0.439 18087 1152 1 3 . 1 1 29 29 SER CA C 29 57.873 57.873 57.648 0.225 18087 1153 1 3 . 1 1 29 29 SER CB C 29 64.531 64.531 64.849 -0.318 18087 1154 1 3 . 1 1 29 29 SER H H 29 8.901 8.901 8.788 0.113 18087 1155 1 3 . 1 1 30 30 LYS N N 30 124.208 124.208 120.890 3.318 18087 1156 1 3 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.137 -0.323 18087 1157 1 3 . 1 1 30 30 LYS C C 30 178.469 178.469 178.502 -0.033 18087 1158 1 3 . 1 1 30 30 LYS CA C 30 61.433 61.433 57.748 3.684 18087 1159 1 3 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.284 0.985 18087 1160 1 3 . 1 1 30 30 LYS H H 30 8.836 8.836 9.029 -0.193 18087 1161 1 3 . 1 1 31 31 LYS N N 31 119.570 119.570 119.737 -0.167 18087 1162 1 3 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.102 -0.056 18087 1163 1 3 . 1 1 31 31 LYS C C 31 179.409 179.409 178.091 1.318 18087 1164 1 3 . 1 1 31 31 LYS CA C 31 59.223 59.223 59.867 -0.644 18087 1165 1 3 . 1 1 31 31 LYS CB C 31 32.386 32.386 32.184 0.202 18087 1166 1 3 . 1 1 31 31 LYS H H 31 8.597 8.597 8.210 0.387 18087 1167 1 3 . 1 1 32 32 GLU N N 32 119.551 119.551 119.899 -0.348 18087 1168 1 3 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.037 0.009 18087 1169 1 3 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.898 0.101 18087 1170 1 3 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.282 -0.812 18087 1171 1 3 . 1 1 32 32 GLU H H 32 7.442 7.442 7.677 -0.235 18087 1172 1 3 . 1 1 33 33 LEU N N 33 121.725 121.725 120.285 1.440 18087 1173 1 3 . 1 1 33 33 LEU HA H 33 4.068 4.068 4.019 0.049 18087 1174 1 3 . 1 1 33 33 LEU C C 33 177.279 177.279 178.452 -1.173 18087 1175 1 3 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.332 -0.936 18087 1176 1 3 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.711 -1.126 18087 1177 1 3 . 1 1 33 33 LEU H H 33 8.579 8.579 8.533 0.046 18087 1178 1 3 . 1 1 34 34 LYS N N 34 120.543 120.543 118.327 2.216 18087 1179 1 3 . 1 1 34 34 LYS HA H 34 3.636 3.636 4.102 -0.466 18087 1180 1 3 . 1 1 34 34 LYS C C 34 177.868 177.868 178.856 -0.988 18087 1181 1 3 . 1 1 34 34 LYS CA C 34 60.704 60.704 59.094 1.610 18087 1182 1 3 . 1 1 34 34 LYS CB C 34 31.870 31.870 32.269 -0.399 18087 1183 1 3 . 1 1 34 34 LYS H H 34 8.618 8.618 7.651 0.967 18087 1184 1 3 . 1 1 35 35 GLU N N 35 117.340 117.340 120.756 -3.416 18087 1185 1 3 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.081 -0.074 18087 1186 1 3 . 1 1 35 35 GLU C C 35 179.008 179.008 179.347 -0.339 18087 1187 1 3 . 1 1 35 35 GLU CA C 35 59.366 59.366 59.262 0.104 18087 1188 1 3 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.451 -0.257 18087 1189 1 3 . 1 1 35 35 GLU H H 35 7.713 7.713 8.466 -0.753 18087 1190 1 3 . 1 1 36 36 LEU N N 36 122.745 122.745 121.325 1.420 18087 1191 1 3 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.093 -0.080 18087 1192 1 3 . 1 1 36 36 LEU C C 36 178.646 178.646 178.398 0.248 18087 1193 1 3 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.451 -0.075 18087 1194 1 3 . 1 1 36 36 LEU CB C 36 41.888 41.888 40.913 0.975 18087 1195 1 3 . 1 1 36 36 LEU H H 36 8.150 8.150 8.649 -0.499 18087 1196 1 3 . 1 1 37 37 LEU N N 37 118.881 118.881 120.688 -1.807 18087 1197 1 3 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.022 -0.274 18087 1198 1 3 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.508 -0.147 18087 1199 1 3 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.160 0.253 18087 1200 1 3 . 1 1 37 37 LEU H H 37 8.495 8.495 8.136 0.359 18087 1201 1 3 . 1 1 38 38 GLN N N 38 115.311 115.311 117.621 -2.310 18087 1202 1 3 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.044 -0.255 18087 1203 1 3 . 1 1 38 38 GLN C C 38 177.826 177.826 178.234 -0.408 18087 1204 1 3 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.834 0.026 18087 1205 1 3 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.275 0.046 18087 1206 1 3 . 1 1 38 38 GLN H H 38 8.348 8.348 8.356 -0.008 18087 1207 1 3 . 1 1 39 39 THR N N 39 112.151 112.151 117.315 -5.164 18087 1208 1 3 . 1 1 39 39 THR HA H 39 4.186 4.186 3.959 0.227 18087 1209 1 3 . 1 1 39 39 THR C C 39 177.166 177.166 177.276 -0.110 18087 1210 1 3 . 1 1 39 39 THR CA C 39 65.284 65.284 67.061 -1.777 18087 1211 1 3 . 1 1 39 39 THR CB C 39 69.179 69.179 68.748 0.431 18087 1212 1 3 . 1 1 39 39 THR H H 39 7.872 7.872 8.299 -0.427 18087 1213 1 3 . 1 1 40 40 GLU N N 40 119.602 119.602 121.104 -1.502 18087 1214 1 3 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.294 0.072 18087 1215 1 3 . 1 1 40 40 GLU C C 40 178.228 178.228 178.632 -0.404 18087 1216 1 3 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.415 0.208 18087 1217 1 3 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.918 1.016 18087 1218 1 3 . 1 1 40 40 GLU H H 40 8.713 8.713 8.865 -0.152 18087 1219 1 3 . 1 1 41 41 LEU N N 41 118.018 118.018 120.778 -2.760 18087 1220 1 3 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.750 0.382 18087 1221 1 3 . 1 1 41 41 LEU C C 41 176.993 176.993 177.124 -0.131 18087 1222 1 3 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.655 -0.836 18087 1223 1 3 . 1 1 41 41 LEU CB C 41 41.962 41.962 40.819 1.143 18087 1224 1 3 . 1 1 41 41 LEU H H 41 8.243 8.243 8.271 -0.028 18087 1225 1 3 . 1 1 42 42 SER N N 42 114.483 114.483 117.146 -2.663 18087 1226 1 3 . 1 1 42 42 SER HA H 42 3.950 3.950 4.312 -0.362 18087 1227 1 3 . 1 1 42 42 SER C C 42 176.651 176.651 176.810 -0.159 18087 1228 1 3 . 1 1 42 42 SER CA C 42 62.225 62.225 62.219 0.006 18087 1229 1 3 . 1 1 42 42 SER CB C 42 62.675 62.675 62.839 -0.164 18087 1230 1 3 . 1 1 42 42 SER H H 42 7.019 7.019 7.570 -0.551 18087 1231 1 3 . 1 1 43 43 GLY N N 43 109.381 109.381 109.555 -0.174 18087 1232 1 3 . 1 1 43 43 GLY C C 43 176.476 176.476 175.747 0.729 18087 1233 1 3 . 1 1 43 43 GLY CA C 43 47.019 47.019 47.107 -0.088 18087 1234 1 3 . 1 1 43 43 GLY H H 43 8.666 8.666 8.557 0.109 18087 1235 1 3 . 1 1 44 44 PHE N N 44 124.390 124.390 121.598 2.792 18087 1236 1 3 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.628 -0.301 18087 1237 1 3 . 1 1 44 44 PHE C C 44 176.516 176.516 178.070 -1.554 18087 1238 1 3 . 1 1 44 44 PHE CA C 44 60.094 60.094 60.684 -0.589 18087 1239 1 3 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.882 0.342 18087 1240 1 3 . 1 1 44 44 PHE H H 44 8.226 8.226 7.739 0.487 18087 1241 1 3 . 1 1 45 45 LEU N N 45 117.156 117.156 120.979 -3.823 18087 1242 1 3 . 1 1 45 45 LEU HA H 45 3.418 3.418 3.940 -0.522 18087 1243 1 3 . 1 1 45 45 LEU C C 45 179.673 179.673 177.550 2.123 18087 1244 1 3 . 1 1 45 45 LEU CA C 45 57.522 57.522 58.047 -0.525 18087 1245 1 3 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.852 -1.238 18087 1246 1 3 . 1 1 45 45 LEU H H 45 8.627 8.627 8.857 -0.230 18087 1247 1 3 . 1 1 46 46 ASP N N 46 117.663 117.663 117.544 0.119 18087 1248 1 3 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.404 -0.059 18087 1249 1 3 . 1 1 46 46 ASP C C 46 177.844 177.844 179.005 -1.161 18087 1250 1 3 . 1 1 46 46 ASP CA C 46 56.784 56.784 56.936 -0.152 18087 1251 1 3 . 1 1 46 46 ASP CB C 46 41.130 41.130 41.175 -0.045 18087 1252 1 3 . 1 1 46 46 ASP H H 46 7.933 7.933 8.514 -0.581 18087 1253 1 3 . 1 1 47 47 ALA N N 47 119.795 119.795 122.094 -2.299 18087 1254 1 3 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.126 0.077 18087 1255 1 3 . 1 1 47 47 ALA C C 47 179.300 179.300 178.632 0.668 18087 1256 1 3 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.559 -1.197 18087 1257 1 3 . 1 1 47 47 ALA CB C 47 19.011 19.011 19.106 -0.095 18087 1258 1 3 . 1 1 47 47 ALA H H 47 7.380 7.380 7.918 -0.538 18087 1259 1 3 . 1 1 48 48 GLN N N 48 115.955 115.955 113.920 2.035 18087 1260 1 3 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.511 -0.241 18087 1261 1 3 . 1 1 48 48 GLN C C 48 175.355 175.355 176.155 -0.800 18087 1262 1 3 . 1 1 48 48 GLN CA C 48 54.026 54.026 54.343 -0.317 18087 1263 1 3 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.270 1.290 18087 1264 1 3 . 1 1 48 48 GLN H H 48 7.369 7.369 7.965 -0.596 18087 1265 1 3 . 1 1 49 49 LYS N N 49 119.402 119.402 122.681 -3.279 18087 1266 1 3 . 1 1 49 49 LYS HA H 49 4.016 4.016 3.997 0.019 18087 1267 1 3 . 1 1 49 49 LYS C C 49 176.255 176.255 177.704 -1.449 18087 1268 1 3 . 1 1 49 49 LYS CA C 49 58.184 58.184 60.064 -1.880 18087 1269 1 3 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.124 -0.021 18087 1270 1 3 . 1 1 49 49 LYS H H 49 7.152 7.152 7.611 -0.459 18087 1271 1 3 . 1 1 50 50 ASP N N 50 117.172 117.172 118.210 -1.038 18087 1272 1 3 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.417 0.178 18087 1273 1 3 . 1 1 50 50 ASP C C 50 175.916 175.916 177.283 -1.367 18087 1274 1 3 . 1 1 50 50 ASP CA C 50 54.217 54.217 56.288 -2.071 18087 1275 1 3 . 1 1 50 50 ASP CB C 50 40.309 40.309 39.803 0.506 18087 1276 1 3 . 1 1 50 50 ASP H H 50 8.338 8.338 8.339 -0.001 18087 1277 1 3 . 1 1 51 51 VAL N N 51 121.648 121.648 118.342 3.306 18087 1278 1 3 . 1 1 51 51 VAL HA H 51 3.997 3.997 3.781 0.216 18087 1279 1 3 . 1 1 51 51 VAL C C 51 177.128 177.128 177.180 -0.052 18087 1280 1 3 . 1 1 51 51 VAL CA C 51 62.404 62.404 63.970 -1.566 18087 1281 1 3 . 1 1 51 51 VAL CB C 51 31.921 31.921 32.173 -0.252 18087 1282 1 3 . 1 1 51 51 VAL H H 51 7.604 7.604 7.388 0.216 18087 1283 1 3 . 1 1 52 52 ASP N N 52 129.202 129.202 119.516 9.686 18087 1284 1 3 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.104 0.169 18087 1285 1 3 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.264 0.918 18087 1286 1 3 . 1 1 52 52 ASP CB C 52 40.935 40.935 39.538 1.397 18087 1287 1 3 . 1 1 52 52 ASP H H 52 8.702 8.702 8.183 0.519 18087 1288 1 3 . 1 1 53 53 ALA N N 53 118.401 118.401 121.866 -3.465 18087 1289 1 3 . 1 1 53 53 ALA HA H 53 4.012 4.012 3.894 0.118 18087 1290 1 3 . 1 1 53 53 ALA C C 53 179.448 179.448 178.533 0.915 18087 1291 1 3 . 1 1 53 53 ALA CA C 53 55.053 55.053 55.108 -0.055 18087 1292 1 3 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.585 0.779 18087 1293 1 3 . 1 1 53 53 ALA H H 53 8.478 8.478 8.093 0.385 18087 1294 1 3 . 1 1 54 54 VAL N N 54 115.050 115.050 118.235 -3.185 18087 1295 1 3 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.565 -0.023 18087 1296 1 3 . 1 1 54 54 VAL C C 54 177.000 177.000 176.971 0.029 18087 1297 1 3 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.166 -0.946 18087 1298 1 3 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.664 0.395 18087 1299 1 3 . 1 1 54 54 VAL H H 54 6.988 6.988 8.130 -1.142 18087 1300 1 3 . 1 1 55 55 ASP N N 55 120.834 120.834 119.588 1.246 18087 1301 1 3 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.331 -0.053 18087 1302 1 3 . 1 1 55 55 ASP C C 55 178.307 178.307 178.551 -0.244 18087 1303 1 3 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.566 0.058 18087 1304 1 3 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.709 1.067 18087 1305 1 3 . 1 1 55 55 ASP H H 55 8.157 8.157 8.136 0.021 18087 1306 1 3 . 1 1 56 56 LYS N N 56 115.672 115.672 119.514 -3.842 18087 1307 1 3 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.052 -0.164 18087 1308 1 3 . 1 1 56 56 LYS C C 56 179.372 179.372 179.080 0.292 18087 1309 1 3 . 1 1 56 56 LYS CA C 56 59.608 59.608 58.509 1.099 18087 1310 1 3 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.035 0.343 18087 1311 1 3 . 1 1 56 56 LYS H H 56 8.348 8.348 7.771 0.577 18087 1312 1 3 . 1 1 57 57 VAL N N 57 118.238 118.238 121.159 -2.921 18087 1313 1 3 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.569 0.160 18087 1314 1 3 . 1 1 57 57 VAL C C 57 177.541 177.541 178.297 -0.756 18087 1315 1 3 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.573 -0.871 18087 1316 1 3 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.506 0.412 18087 1317 1 3 . 1 1 57 57 VAL H H 57 7.003 7.003 8.691 -1.688 18087 1318 1 3 . 1 1 58 58 MET N N 58 115.998 115.998 118.035 -2.037 18087 1319 1 3 . 1 1 58 58 MET HA H 58 4.313 4.313 4.114 0.199 18087 1320 1 3 . 1 1 58 58 MET C C 58 179.857 179.857 178.650 1.207 18087 1321 1 3 . 1 1 58 58 MET CA C 58 56.717 56.717 57.833 -1.116 18087 1322 1 3 . 1 1 58 58 MET CB C 58 32.366 32.366 31.274 1.092 18087 1323 1 3 . 1 1 58 58 MET H H 58 7.836 7.836 8.340 -0.504 18087 1324 1 3 . 1 1 59 59 LYS N N 59 119.682 119.682 120.898 -1.216 18087 1325 1 3 . 1 1 59 59 LYS HA H 59 4.088 4.088 4.002 0.086 18087 1326 1 3 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.390 0.052 18087 1327 1 3 . 1 1 59 59 LYS CB C 59 32.504 32.504 31.903 0.601 18087 1328 1 3 . 1 1 59 59 LYS H H 59 8.619 8.619 8.677 -0.058 18087 1329 1 3 . 1 1 60 60 GLU N N 60 119.917 119.917 119.762 0.155 18087 1330 1 3 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.019 -0.083 18087 1331 1 3 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.316 -0.076 18087 1332 1 3 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.201 0.888 18087 1333 1 3 . 1 1 60 60 GLU H H 60 7.721 7.721 8.430 -0.709 18087 1334 1 3 . 1 1 61 61 LEU N N 61 116.614 116.614 120.029 -3.415 18087 1335 1 3 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.093 -0.070 18087 1336 1 3 . 1 1 61 61 LEU C C 61 175.845 175.845 179.173 -3.328 18087 1337 1 3 . 1 1 61 61 LEU CA C 61 56.515 56.515 58.062 -1.547 18087 1338 1 3 . 1 1 61 61 LEU CB C 61 41.218 41.218 40.933 0.285 18087 1339 1 3 . 1 1 61 61 LEU H H 61 7.429 7.429 7.952 -0.523 18087 1340 1 3 . 1 1 62 62 ASP N N 62 116.147 116.147 120.847 -4.700 18087 1341 1 3 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.345 0.178 18087 1342 1 3 . 1 1 62 62 ASP C C 62 177.790 177.790 178.864 -1.074 18087 1343 1 3 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.607 -2.181 18087 1344 1 3 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.796 1.084 18087 1345 1 3 . 1 1 62 62 ASP H H 62 7.423 7.423 8.704 -1.281 18087 1346 1 3 . 1 1 63 63 GLU N N 63 119.660 119.660 118.796 0.864 18087 1347 1 3 . 1 1 63 63 GLU HA H 63 4.136 4.136 4.037 0.099 18087 1348 1 3 . 1 1 63 63 GLU CA C 63 57.377 57.377 59.218 -1.841 18087 1349 1 3 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.085 0.904 18087 1350 1 3 . 1 1 63 63 GLU H H 63 7.837 7.837 8.837 -1.000 18087 1351 1 3 . 1 1 64 64 ASN N N 64 118.376 118.376 116.766 1.610 18087 1352 1 3 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.682 0.180 18087 1353 1 3 . 1 1 64 64 ASN C C 64 176.216 176.216 176.884 -0.668 18087 1354 1 3 . 1 1 64 64 ASN CA C 64 52.688 52.688 53.195 -0.507 18087 1355 1 3 . 1 1 64 64 ASN CB C 64 38.185 38.185 38.105 0.080 18087 1356 1 3 . 1 1 64 64 ASN H H 64 8.012 8.012 7.847 0.165 18087 1357 1 3 . 1 1 65 65 GLY N N 65 107.248 107.248 108.861 -1.613 18087 1358 1 3 . 1 1 65 65 GLY C C 65 173.971 173.971 175.257 -1.286 18087 1359 1 3 . 1 1 65 65 GLY CA C 65 47.136 47.136 45.630 1.506 18087 1360 1 3 . 1 1 65 65 GLY H H 65 7.989 7.989 8.543 -0.554 18087 1361 1 3 . 1 1 66 66 ASP N N 66 116.989 116.989 121.014 -4.025 18087 1362 1 3 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.482 0.306 18087 1363 1 3 . 1 1 66 66 ASP C C 66 177.289 177.289 176.961 0.328 18087 1364 1 3 . 1 1 66 66 ASP CA C 66 54.166 54.166 55.975 -1.809 18087 1365 1 3 . 1 1 66 66 ASP CB C 66 40.987 40.987 40.899 0.088 18087 1366 1 3 . 1 1 66 66 ASP H H 66 8.233 8.233 7.655 0.578 18087 1367 1 3 . 1 1 67 67 GLY N N 67 108.642 108.642 106.460 2.182 18087 1368 1 3 . 1 1 67 67 GLY C C 67 172.757 172.757 172.449 0.308 18087 1369 1 3 . 1 1 67 67 GLY CA C 67 45.216 45.216 44.970 0.246 18087 1370 1 3 . 1 1 67 67 GLY H H 67 8.274 8.274 7.415 0.859 18087 1371 1 3 . 1 1 68 68 GLU N N 68 118.614 118.614 118.782 -0.168 18087 1372 1 3 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.514 0.441 18087 1373 1 3 . 1 1 68 68 GLU C C 68 175.881 175.881 175.188 0.693 18087 1374 1 3 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.504 -0.139 18087 1375 1 3 . 1 1 68 68 GLU CB C 68 33.488 33.488 32.456 1.032 18087 1376 1 3 . 1 1 68 68 GLU H H 68 8.404 8.404 8.236 0.168 18087 1377 1 3 . 1 1 69 69 VAL N N 69 117.572 117.572 120.982 -3.410 18087 1378 1 3 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.648 0.117 18087 1379 1 3 . 1 1 69 69 VAL C C 69 174.820 174.820 173.924 0.896 18087 1380 1 3 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.984 -0.034 18087 1381 1 3 . 1 1 69 69 VAL CB C 69 34.352 34.352 35.262 -0.910 18087 1382 1 3 . 1 1 69 69 VAL H H 69 9.167 9.167 8.961 0.206 18087 1383 1 3 . 1 1 70 70 ASP N N 70 122.616 122.616 128.651 -6.035 18087 1384 1 3 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.344 -0.130 18087 1385 1 3 . 1 1 70 70 ASP C C 70 175.822 175.822 176.717 -0.895 18087 1386 1 3 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.212 -0.836 18087 1387 1 3 . 1 1 70 70 ASP CB C 70 42.192 42.192 42.765 -0.573 18087 1388 1 3 . 1 1 70 70 ASP H H 70 8.292 8.292 9.697 -1.405 18087 1389 1 3 . 1 1 71 71 PHE N N 71 119.243 119.243 119.412 -0.169 18087 1390 1 3 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.639 -0.888 18087 1391 1 3 . 1 1 71 71 PHE C C 71 176.387 176.387 177.106 -0.719 18087 1392 1 3 . 1 1 71 71 PHE CA C 71 62.965 62.965 62.058 0.907 18087 1393 1 3 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.227 -0.086 18087 1394 1 3 . 1 1 71 71 PHE H H 71 8.889 8.889 8.356 0.533 18087 1395 1 3 . 1 1 72 72 GLN N N 72 116.655 116.655 117.411 -0.756 18087 1396 1 3 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.773 -0.065 18087 1397 1 3 . 1 1 72 72 GLN C C 72 177.102 177.102 178.414 -1.312 18087 1398 1 3 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.604 -0.329 18087 1399 1 3 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.394 -0.227 18087 1400 1 3 . 1 1 72 72 GLN H H 72 8.021 8.021 9.307 -1.286 18087 1401 1 3 . 1 1 73 73 GLU N N 73 119.195 119.195 119.672 -0.477 18087 1402 1 3 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.037 0.456 18087 1403 1 3 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.349 -4.170 18087 1404 1 3 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.377 2.438 18087 1405 1 3 . 1 1 73 73 GLU H H 73 8.066 8.066 7.924 0.142 18087 1406 1 3 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.157 -0.071 18087 1407 1 3 . 1 1 74 74 TYR CA C 74 60.497 60.497 60.798 -0.301 18087 1408 1 3 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.683 -0.857 18087 1409 1 3 . 1 1 75 75 VAL N N 75 120.072 120.072 115.613 4.459 18087 1410 1 3 . 1 1 75 75 VAL HA H 75 2.983 2.983 2.957 0.026 18087 1411 1 3 . 1 1 75 75 VAL C C 75 177.295 177.295 177.347 -0.052 18087 1412 1 3 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.821 -0.129 18087 1413 1 3 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.922 -0.305 18087 1414 1 3 . 1 1 75 75 VAL H H 75 8.291 8.291 8.243 0.048 18087 1415 1 3 . 1 1 76 76 VAL N N 76 121.367 121.367 120.623 0.744 18087 1416 1 3 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.500 0.020 18087 1417 1 3 . 1 1 76 76 VAL C C 76 178.847 178.847 177.226 1.621 18087 1418 1 3 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.960 0.593 18087 1419 1 3 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.598 -0.209 18087 1420 1 3 . 1 1 76 76 VAL H H 76 7.571 7.571 7.352 0.219 18087 1421 1 3 . 1 1 77 77 LEU N N 77 123.054 123.054 120.846 2.208 18087 1422 1 3 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.988 0.141 18087 1423 1 3 . 1 1 77 77 LEU C C 77 179.065 179.065 177.926 1.139 18087 1424 1 3 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.218 0.274 18087 1425 1 3 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.441 -0.145 18087 1426 1 3 . 1 1 77 77 LEU H H 77 7.360 7.360 7.369 -0.009 18087 1427 1 3 . 1 1 78 78 VAL N N 78 119.163 119.163 117.149 2.014 18087 1428 1 3 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.604 -0.331 18087 1429 1 3 . 1 1 78 78 VAL C C 78 180.217 180.217 177.766 2.451 18087 1430 1 3 . 1 1 78 78 VAL CA C 78 67.270 67.270 65.024 2.246 18087 1431 1 3 . 1 1 78 78 VAL CB C 78 31.181 31.181 29.917 1.264 18087 1432 1 3 . 1 1 78 78 VAL H H 78 8.192 8.192 7.303 0.889 18087 1433 1 3 . 1 1 79 79 ALA N N 79 125.884 125.884 123.712 2.172 18087 1434 1 3 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.804 -0.007 18087 1435 1 3 . 1 1 79 79 ALA C C 79 178.708 178.708 179.010 -0.302 18087 1436 1 3 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.361 0.530 18087 1437 1 3 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.757 -0.394 18087 1438 1 3 . 1 1 79 79 ALA H H 79 9.067 9.067 8.570 0.497 18087 1439 1 3 . 1 1 80 80 ALA N N 80 121.108 121.108 121.573 -0.465 18087 1440 1 3 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.924 0.200 18087 1441 1 3 . 1 1 80 80 ALA C C 80 182.175 182.175 179.641 2.534 18087 1442 1 3 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.190 0.233 18087 1443 1 3 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.064 -0.395 18087 1444 1 3 . 1 1 80 80 ALA H H 80 7.776 7.776 8.625 -0.849 18087 1445 1 3 . 1 1 81 81 LEU N N 81 118.519 118.519 118.424 0.095 18087 1446 1 3 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.889 0.230 18087 1447 1 3 . 1 1 81 81 LEU C C 81 177.959 177.959 179.446 -1.487 18087 1448 1 3 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.848 -0.359 18087 1449 1 3 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.613 0.556 18087 1450 1 3 . 1 1 81 81 LEU H H 81 8.097 8.097 7.853 0.244 18087 1451 1 3 . 1 1 82 82 THR N N 82 119.572 119.572 115.997 3.575 18087 1452 1 3 . 1 1 82 82 THR HA H 82 3.777 3.777 3.230 0.547 18087 1453 1 3 . 1 1 82 82 THR C C 82 176.911 176.911 176.524 0.387 18087 1454 1 3 . 1 1 82 82 THR CA C 82 68.058 68.058 67.501 0.557 18087 1455 1 3 . 1 1 82 82 THR CB C 82 67.402 67.402 68.373 -0.971 18087 1456 1 3 . 1 1 82 82 THR H H 82 8.537 8.537 8.229 0.308 18087 1457 1 3 . 1 1 83 83 VAL N N 83 123.805 123.805 121.789 2.016 18087 1458 1 3 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.693 0.037 18087 1459 1 3 . 1 1 83 83 VAL C C 83 177.787 177.787 176.850 0.937 18087 1460 1 3 . 1 1 83 83 VAL CA C 83 67.394 67.394 66.074 1.320 18087 1461 1 3 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.449 0.242 18087 1462 1 3 . 1 1 83 83 VAL H H 83 8.283 8.283 8.707 -0.424 18087 1463 1 3 . 1 1 84 84 ALA N N 84 121.134 121.134 122.953 -1.819 18087 1464 1 3 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.959 0.277 18087 1465 1 3 . 1 1 84 84 ALA C C 84 180.511 180.511 179.375 1.136 18087 1466 1 3 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.402 -0.227 18087 1467 1 3 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.231 -0.804 18087 1468 1 3 . 1 1 84 84 ALA H H 84 7.466 7.466 8.440 -0.974 18087 1469 1 3 . 1 1 85 85 MET N N 85 121.755 121.755 117.542 4.213 18087 1470 1 3 . 1 1 85 85 MET HA H 85 3.796 3.796 4.155 -0.359 18087 1471 1 3 . 1 1 85 85 MET CA C 85 59.656 59.656 58.773 0.883 18087 1472 1 3 . 1 1 85 85 MET CB C 85 33.653 33.653 33.033 0.620 18087 1473 1 3 . 1 1 85 85 MET H H 85 8.549 8.549 8.364 0.185 18087 1474 1 3 . 1 1 86 86 ASN N N 86 119.410 119.410 118.563 0.847 18087 1475 1 3 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.916 -0.764 18087 1476 1 3 . 1 1 86 86 ASN C C 86 176.834 176.834 178.029 -1.195 18087 1477 1 3 . 1 1 86 86 ASN CA C 86 58.062 58.062 57.086 0.976 18087 1478 1 3 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.952 0.978 18087 1479 1 3 . 1 1 86 86 ASN H H 86 8.615 8.615 8.927 -0.312 18087 1480 1 3 . 1 1 87 87 ASN N N 87 117.077 117.077 118.381 -1.304 18087 1481 1 3 . 1 1 87 87 ASN HA H 87 4.446 4.446 4.830 -0.384 18087 1482 1 3 . 1 1 87 87 ASN C C 87 176.906 176.906 177.334 -0.428 18087 1483 1 3 . 1 1 87 87 ASN CA C 87 55.602 55.602 56.117 -0.515 18087 1484 1 3 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.061 -0.485 18087 1485 1 3 . 1 1 87 87 ASN H H 87 8.286 8.286 8.904 -0.618 18087 1486 1 3 . 1 1 88 88 PHE N N 88 119.698 119.698 121.064 -1.366 18087 1487 1 3 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.193 0.285 18087 1488 1 3 . 1 1 88 88 PHE C C 88 177.057 177.057 177.261 -0.204 18087 1489 1 3 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.397 -1.851 18087 1490 1 3 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.630 0.981 18087 1491 1 3 . 1 1 88 88 PHE H H 88 7.909 7.909 7.558 0.351 18087 1492 1 3 . 1 1 89 89 PHE N N 89 116.219 116.219 117.832 -1.613 18087 1493 1 3 . 1 1 89 89 PHE HA H 89 4.210 4.210 3.836 0.374 18087 1494 1 3 . 1 1 89 89 PHE C C 89 177.637 177.637 177.396 0.241 18087 1495 1 3 . 1 1 89 89 PHE CA C 89 58.752 58.752 60.985 -2.233 18087 1496 1 3 . 1 1 89 89 PHE CB C 89 39.781 39.781 37.889 1.893 18087 1497 1 3 . 1 1 89 89 PHE H H 89 8.049 8.049 7.524 0.525 18087 1498 1 3 . 1 1 90 90 TRP N N 90 117.712 117.712 118.038 -0.326 18087 1499 1 3 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.486 0.042 18087 1500 1 3 . 1 1 90 90 TRP C C 90 176.741 176.741 177.821 -1.080 18087 1501 1 3 . 1 1 90 90 TRP CA C 90 58.109 58.109 59.373 -1.264 18087 1502 1 3 . 1 1 90 90 TRP CB C 90 29.720 29.720 29.281 0.439 18087 1503 1 3 . 1 1 90 90 TRP H H 90 8.257 8.257 7.381 0.876 18087 1504 1 3 . 1 1 91 91 GLU N N 91 120.493 120.493 116.757 3.736 18087 1505 1 3 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.209 0.219 18087 1506 1 3 . 1 1 91 91 GLU C C 91 176.393 176.393 177.208 -0.815 18087 1507 1 3 . 1 1 91 91 GLU CA C 91 57.193 57.193 58.377 -1.184 18087 1508 1 3 . 1 1 91 91 GLU CB C 91 29.850 29.850 30.466 -0.616 18087 1509 1 3 . 1 1 91 91 GLU H H 91 7.988 7.988 8.548 -0.560 18087 1510 1 3 . 1 1 92 92 ASN N N 92 119.006 119.006 117.567 1.439 18087 1511 1 3 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.875 -0.088 18087 1512 1 3 . 1 1 92 92 ASN C C 92 174.284 174.284 173.070 1.214 18087 1513 1 3 . 1 1 92 92 ASN CA C 92 53.198 53.198 52.510 0.688 18087 1514 1 3 . 1 1 92 92 ASN CB C 92 39.233 39.233 40.190 -0.957 18087 1515 1 3 . 1 1 92 92 ASN H H 92 8.203 8.203 8.175 0.028 18087 1516 1 4 . 1 1 2 2 SER N N 2 117.254 117.254 115.811 1.443 18087 1517 1 4 . 1 1 2 2 SER HA H 2 4.737 4.737 4.511 0.226 18087 1518 1 4 . 1 1 2 2 SER C C 2 175.320 175.320 175.915 -0.595 18087 1519 1 4 . 1 1 2 2 SER CA C 2 57.476 57.476 57.981 -0.505 18087 1520 1 4 . 1 1 2 2 SER CB C 2 64.594 64.594 64.163 0.431 18087 1521 1 4 . 1 1 2 2 SER H H 2 8.686 8.686 9.206 -0.520 18087 1522 1 4 . 1 1 3 3 GLU N N 3 124.640 124.640 122.571 2.069 18087 1523 1 4 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.042 0.066 18087 1524 1 4 . 1 1 3 3 GLU C C 3 178.972 178.972 178.595 0.377 18087 1525 1 4 . 1 1 3 3 GLU CA C 3 60.375 60.375 59.843 0.532 18087 1526 1 4 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.362 0.382 18087 1527 1 4 . 1 1 3 3 GLU H H 3 9.242 9.242 8.942 0.300 18087 1528 1 4 . 1 1 4 4 LEU N N 4 119.682 119.682 121.002 -1.320 18087 1529 1 4 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.172 -0.220 18087 1530 1 4 . 1 1 4 4 LEU C C 4 178.027 178.027 179.058 -1.031 18087 1531 1 4 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.199 -0.020 18087 1532 1 4 . 1 1 4 4 LEU CB C 4 42.308 42.308 40.490 1.818 18087 1533 1 4 . 1 1 4 4 LEU H H 4 8.952 8.952 8.280 0.672 18087 1534 1 4 . 1 1 5 5 GLU N N 5 118.542 118.542 118.829 -0.287 18087 1535 1 4 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.081 -0.289 18087 1536 1 4 . 1 1 5 5 GLU C C 5 178.389 178.389 179.139 -0.750 18087 1537 1 4 . 1 1 5 5 GLU CA C 5 60.051 60.051 60.090 -0.039 18087 1538 1 4 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.438 0.545 18087 1539 1 4 . 1 1 5 5 GLU H H 5 7.968 7.968 8.655 -0.687 18087 1540 1 4 . 1 1 6 6 THR N N 6 114.278 114.278 117.680 -3.402 18087 1541 1 4 . 1 1 6 6 THR HA H 6 4.015 4.015 3.957 0.058 18087 1542 1 4 . 1 1 6 6 THR C C 6 176.990 176.990 176.890 0.100 18087 1543 1 4 . 1 1 6 6 THR CA C 6 66.450 66.450 67.046 -0.596 18087 1544 1 4 . 1 1 6 6 THR CB C 6 68.637 68.637 68.570 0.067 18087 1545 1 4 . 1 1 6 6 THR H H 6 8.177 8.177 8.686 -0.509 18087 1546 1 4 . 1 1 7 7 ALA N N 7 126.659 126.659 126.139 0.520 18087 1547 1 4 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.114 0.049 18087 1548 1 4 . 1 1 7 7 ALA C C 7 179.338 179.338 179.504 -0.166 18087 1549 1 4 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.243 0.571 18087 1550 1 4 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.200 -0.016 18087 1551 1 4 . 1 1 7 7 ALA H H 7 8.166 8.166 8.915 -0.749 18087 1552 1 4 . 1 1 8 8 MET N N 8 117.727 117.727 117.570 0.157 18087 1553 1 4 . 1 1 8 8 MET HA H 8 3.731 3.731 4.232 -0.501 18087 1554 1 4 . 1 1 8 8 MET C C 8 178.071 178.071 178.891 -0.820 18087 1555 1 4 . 1 1 8 8 MET CA C 8 60.447 60.447 59.357 1.090 18087 1556 1 4 . 1 1 8 8 MET CB C 8 34.928 34.928 32.076 2.852 18087 1557 1 4 . 1 1 8 8 MET H H 8 8.090 8.090 8.693 -0.603 18087 1558 1 4 . 1 1 9 9 GLU N N 9 117.303 117.303 119.731 -2.428 18087 1559 1 4 . 1 1 9 9 GLU HA H 9 3.907 3.907 4.031 -0.124 18087 1560 1 4 . 1 1 9 9 GLU C C 9 179.261 179.261 179.180 0.081 18087 1561 1 4 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.670 0.360 18087 1562 1 4 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.027 0.472 18087 1563 1 4 . 1 1 9 9 GLU H H 9 8.603 8.603 8.870 -0.267 18087 1564 1 4 . 1 1 10 10 THR N N 10 117.583 117.583 118.438 -0.855 18087 1565 1 4 . 1 1 10 10 THR HA H 10 4.088 4.088 4.071 0.017 18087 1566 1 4 . 1 1 10 10 THR C C 10 175.758 175.758 176.921 -1.163 18087 1567 1 4 . 1 1 10 10 THR CA C 10 67.439 67.439 67.349 0.090 18087 1568 1 4 . 1 1 10 10 THR CB C 10 68.014 68.014 68.603 -0.589 18087 1569 1 4 . 1 1 10 10 THR H H 10 8.483 8.483 8.701 -0.218 18087 1570 1 4 . 1 1 11 11 LEU N N 11 119.623 119.623 122.349 -2.726 18087 1571 1 4 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.347 -0.377 18087 1572 1 4 . 1 1 11 11 LEU C C 11 178.935 178.935 179.393 -0.458 18087 1573 1 4 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.518 0.657 18087 1574 1 4 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.802 0.059 18087 1575 1 4 . 1 1 11 11 LEU H H 11 8.013 8.013 8.546 -0.533 18087 1576 1 4 . 1 1 12 12 ILE N N 12 119.751 119.751 120.430 -0.679 18087 1577 1 4 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.497 0.496 18087 1578 1 4 . 1 1 12 12 ILE C C 12 177.717 177.717 178.378 -0.661 18087 1579 1 4 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.522 1.226 18087 1580 1 4 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.179 3.087 18087 1581 1 4 . 1 1 12 12 ILE H H 12 7.708 7.708 9.021 -1.313 18087 1582 1 4 . 1 1 13 13 ASN N N 13 121.260 121.260 119.241 2.019 18087 1583 1 4 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.436 0.131 18087 1584 1 4 . 1 1 13 13 ASN C C 13 178.941 178.941 178.184 0.757 18087 1585 1 4 . 1 1 13 13 ASN CA C 13 56.339 56.339 57.147 -0.808 18087 1586 1 4 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.577 -0.482 18087 1587 1 4 . 1 1 13 13 ASN H H 13 9.125 9.125 8.813 0.312 18087 1588 1 4 . 1 1 14 14 VAL N N 14 120.868 120.868 120.604 0.264 18087 1589 1 4 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.764 0.103 18087 1590 1 4 . 1 1 14 14 VAL C C 14 177.827 177.827 177.911 -0.084 18087 1591 1 4 . 1 1 14 14 VAL CA C 14 66.715 66.715 67.294 -0.579 18087 1592 1 4 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.626 0.276 18087 1593 1 4 . 1 1 14 14 VAL H H 14 8.965 8.965 8.252 0.713 18087 1594 1 4 . 1 1 15 15 PHE N N 15 117.672 117.672 121.243 -3.571 18087 1595 1 4 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.853 -0.407 18087 1596 1 4 . 1 1 15 15 PHE C C 15 177.713 177.713 177.919 -0.206 18087 1597 1 4 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.123 0.318 18087 1598 1 4 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.222 -0.041 18087 1599 1 4 . 1 1 15 15 PHE H H 15 6.968 6.968 9.084 -2.116 18087 1600 1 4 . 1 1 16 16 HIS N N 16 115.122 115.122 118.753 -3.631 18087 1601 1 4 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.241 0.128 18087 1602 1 4 . 1 1 16 16 HIS C C 16 176.987 176.987 177.407 -0.420 18087 1603 1 4 . 1 1 16 16 HIS CA C 16 58.413 58.413 60.313 -1.900 18087 1604 1 4 . 1 1 16 16 HIS CB C 16 28.260 28.260 30.092 -1.832 18087 1605 1 4 . 1 1 16 16 HIS H H 16 8.020 8.020 9.353 -1.333 18087 1606 1 4 . 1 1 17 17 ALA N N 17 122.533 122.533 122.302 0.231 18087 1607 1 4 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.897 0.220 18087 1608 1 4 . 1 1 17 17 ALA CA C 17 54.064 54.064 55.245 -1.181 18087 1609 1 4 . 1 1 17 17 ALA CB C 17 17.908 17.908 17.892 0.016 18087 1610 1 4 . 1 1 17 17 ALA H H 17 8.282 8.282 8.649 -0.367 18087 1611 1 4 . 1 1 18 18 HIS N N 18 113.127 113.127 116.148 -3.021 18087 1612 1 4 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.285 0.123 18087 1613 1 4 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.183 -1.935 18087 1614 1 4 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.649 1.613 18087 1615 1 4 . 1 1 18 18 HIS H H 18 7.124 7.124 8.111 -0.987 18087 1616 1 4 . 1 1 19 19 SER HA H 19 3.963 3.963 4.167 -0.204 18087 1617 1 4 . 1 1 19 19 SER CA C 19 59.969 59.969 62.098 -2.129 18087 1618 1 4 . 1 1 19 19 SER CB C 19 62.416 62.416 62.414 0.002 18087 1619 1 4 . 1 1 20 20 GLY N N 20 107.243 107.243 108.418 -1.175 18087 1620 1 4 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.865 -0.751 18087 1621 1 4 . 1 1 20 20 GLY H H 20 7.915 7.915 8.526 -0.611 18087 1622 1 4 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.059 -0.102 18087 1623 1 4 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.761 -0.716 18087 1624 1 4 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.331 -0.394 18087 1625 1 4 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.358 -0.316 18087 1626 1 4 . 1 1 22 22 GLU CA C 22 58.755 58.755 56.536 2.219 18087 1627 1 4 . 1 1 22 22 GLU CB C 22 30.184 30.184 30.942 -0.757 18087 1628 1 4 . 1 1 23 23 GLY N N 23 111.113 111.113 108.993 2.120 18087 1629 1 4 . 1 1 23 23 GLY CA C 23 46.790 46.790 44.204 2.586 18087 1630 1 4 . 1 1 23 23 GLY H H 23 8.435 8.435 8.192 0.243 18087 1631 1 4 . 1 1 24 24 ASP N N 24 123.994 123.994 118.240 5.754 18087 1632 1 4 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.281 0.215 18087 1633 1 4 . 1 1 24 24 ASP CA C 24 54.286 54.286 54.646 -0.360 18087 1634 1 4 . 1 1 24 24 ASP CB C 24 42.002 42.002 41.849 0.153 18087 1635 1 4 . 1 1 24 24 ASP H H 24 8.501 8.501 8.196 0.305 18087 1636 1 4 . 1 1 25 25 LYS HA H 25 4.442 4.442 3.903 0.539 18087 1637 1 4 . 1 1 25 25 LYS CA C 25 56.523 56.523 57.627 -1.104 18087 1638 1 4 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.520 0.751 18087 1639 1 4 . 1 1 26 26 TYR N N 26 119.967 119.967 113.995 5.972 18087 1640 1 4 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.467 0.325 18087 1641 1 4 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.718 0.301 18087 1642 1 4 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.279 0.152 18087 1643 1 4 . 1 1 26 26 TYR H H 26 8.712 8.712 7.354 1.358 18087 1644 1 4 . 1 1 27 27 LYS HA H 27 5.299 5.299 5.137 0.162 18087 1645 1 4 . 1 1 27 27 LYS C C 27 174.308 174.308 173.657 0.651 18087 1646 1 4 . 1 1 27 27 LYS CA C 27 54.365 54.365 54.542 -0.177 18087 1647 1 4 . 1 1 27 27 LYS CB C 27 37.394 37.394 38.018 -0.624 18087 1648 1 4 . 1 1 28 28 LEU N N 28 121.194 121.194 122.703 -1.509 18087 1649 1 4 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.963 -0.243 18087 1650 1 4 . 1 1 28 28 LEU C C 28 178.895 178.895 174.778 4.117 18087 1651 1 4 . 1 1 28 28 LEU CA C 28 52.968 52.968 52.970 -0.002 18087 1652 1 4 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.469 0.742 18087 1653 1 4 . 1 1 28 28 LEU H H 28 8.632 8.632 9.016 -0.384 18087 1654 1 4 . 1 1 29 29 SER N N 29 119.705 119.705 122.476 -2.771 18087 1655 1 4 . 1 1 29 29 SER HA H 29 4.987 4.987 4.931 0.056 18087 1656 1 4 . 1 1 29 29 SER C C 29 175.742 175.742 175.258 0.484 18087 1657 1 4 . 1 1 29 29 SER CA C 29 57.873 57.873 56.275 1.598 18087 1658 1 4 . 1 1 29 29 SER CB C 29 64.531 64.531 64.895 -0.364 18087 1659 1 4 . 1 1 29 29 SER H H 29 8.901 8.901 10.229 -1.327 18087 1660 1 4 . 1 1 30 30 LYS N N 30 124.208 124.208 120.161 4.047 18087 1661 1 4 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.266 -0.452 18087 1662 1 4 . 1 1 30 30 LYS C C 30 178.469 178.469 177.312 1.157 18087 1663 1 4 . 1 1 30 30 LYS CA C 30 61.433 61.433 56.497 4.936 18087 1664 1 4 . 1 1 30 30 LYS CB C 30 32.269 32.269 30.988 1.281 18087 1665 1 4 . 1 1 30 30 LYS H H 30 8.836 8.836 8.894 -0.058 18087 1666 1 4 . 1 1 31 31 LYS N N 31 119.570 119.570 119.821 -0.251 18087 1667 1 4 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.305 -0.259 18087 1668 1 4 . 1 1 31 31 LYS C C 31 179.409 179.409 178.031 1.378 18087 1669 1 4 . 1 1 31 31 LYS CA C 31 59.223 59.223 58.761 0.462 18087 1670 1 4 . 1 1 31 31 LYS CB C 31 32.386 32.386 32.656 -0.270 18087 1671 1 4 . 1 1 31 31 LYS H H 31 8.597 8.597 7.433 1.164 18087 1672 1 4 . 1 1 32 32 GLU N N 32 119.551 119.551 120.213 -0.662 18087 1673 1 4 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.100 -0.054 18087 1674 1 4 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.681 0.317 18087 1675 1 4 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.571 -1.101 18087 1676 1 4 . 1 1 32 32 GLU H H 32 7.442 7.442 9.161 -1.719 18087 1677 1 4 . 1 1 33 33 LEU N N 33 121.725 121.725 120.508 1.217 18087 1678 1 4 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.908 0.160 18087 1679 1 4 . 1 1 33 33 LEU C C 33 177.279 177.279 178.373 -1.094 18087 1680 1 4 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.952 -1.556 18087 1681 1 4 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.438 -0.853 18087 1682 1 4 . 1 1 33 33 LEU H H 33 8.579 8.579 7.634 0.945 18087 1683 1 4 . 1 1 34 34 LYS N N 34 120.543 120.543 118.693 1.850 18087 1684 1 4 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.942 -0.306 18087 1685 1 4 . 1 1 34 34 LYS C C 34 177.868 177.868 178.882 -1.014 18087 1686 1 4 . 1 1 34 34 LYS CA C 34 60.704 60.704 60.171 0.533 18087 1687 1 4 . 1 1 34 34 LYS CB C 34 31.870 31.870 31.813 0.057 18087 1688 1 4 . 1 1 34 34 LYS H H 34 8.618 8.618 8.266 0.352 18087 1689 1 4 . 1 1 35 35 GLU N N 35 117.340 117.340 119.319 -1.979 18087 1690 1 4 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.090 -0.083 18087 1691 1 4 . 1 1 35 35 GLU C C 35 179.008 179.008 179.234 -0.226 18087 1692 1 4 . 1 1 35 35 GLU CA C 35 59.366 59.366 58.446 0.920 18087 1693 1 4 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.108 0.087 18087 1694 1 4 . 1 1 35 35 GLU H H 35 7.713 7.713 7.745 -0.032 18087 1695 1 4 . 1 1 36 36 LEU N N 36 122.745 122.745 123.580 -0.835 18087 1696 1 4 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.969 0.044 18087 1697 1 4 . 1 1 36 36 LEU C C 36 178.646 178.646 178.269 0.377 18087 1698 1 4 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.086 0.290 18087 1699 1 4 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.217 0.671 18087 1700 1 4 . 1 1 36 36 LEU H H 36 8.150 8.150 8.842 -0.692 18087 1701 1 4 . 1 1 37 37 LEU N N 37 118.881 118.881 119.586 -0.705 18087 1702 1 4 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.045 -0.297 18087 1703 1 4 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.502 -0.141 18087 1704 1 4 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.123 0.290 18087 1705 1 4 . 1 1 37 37 LEU H H 37 8.495 8.495 8.858 -0.363 18087 1706 1 4 . 1 1 38 38 GLN N N 38 115.311 115.311 117.802 -2.491 18087 1707 1 4 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.051 -0.262 18087 1708 1 4 . 1 1 38 38 GLN C C 38 177.826 177.826 178.298 -0.472 18087 1709 1 4 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.780 0.080 18087 1710 1 4 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.302 0.019 18087 1711 1 4 . 1 1 38 38 GLN H H 38 8.348 8.348 8.519 -0.171 18087 1712 1 4 . 1 1 39 39 THR N N 39 112.151 112.151 117.053 -4.902 18087 1713 1 4 . 1 1 39 39 THR HA H 39 4.186 4.186 4.020 0.166 18087 1714 1 4 . 1 1 39 39 THR C C 39 177.166 177.166 177.198 -0.032 18087 1715 1 4 . 1 1 39 39 THR CA C 39 65.284 65.284 66.925 -1.641 18087 1716 1 4 . 1 1 39 39 THR CB C 39 69.179 69.179 68.916 0.263 18087 1717 1 4 . 1 1 39 39 THR H H 39 7.872 7.872 8.430 -0.558 18087 1718 1 4 . 1 1 40 40 GLU N N 40 119.602 119.602 121.188 -1.586 18087 1719 1 4 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.306 0.060 18087 1720 1 4 . 1 1 40 40 GLU C C 40 178.228 178.228 178.383 -0.155 18087 1721 1 4 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.620 0.003 18087 1722 1 4 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.987 0.947 18087 1723 1 4 . 1 1 40 40 GLU H H 40 8.713 8.713 8.524 0.189 18087 1724 1 4 . 1 1 41 41 LEU N N 41 118.018 118.018 120.868 -2.850 18087 1725 1 4 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.796 0.336 18087 1726 1 4 . 1 1 41 41 LEU C C 41 176.993 176.993 176.878 0.115 18087 1727 1 4 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.718 -0.899 18087 1728 1 4 . 1 1 41 41 LEU CB C 41 41.962 41.962 40.898 1.065 18087 1729 1 4 . 1 1 41 41 LEU H H 41 8.243 8.243 8.112 0.131 18087 1730 1 4 . 1 1 42 42 SER N N 42 114.483 114.483 117.351 -2.868 18087 1731 1 4 . 1 1 42 42 SER HA H 42 3.950 3.950 4.260 -0.310 18087 1732 1 4 . 1 1 42 42 SER C C 42 176.651 176.651 176.778 -0.127 18087 1733 1 4 . 1 1 42 42 SER CA C 42 62.225 62.225 63.259 -1.034 18087 1734 1 4 . 1 1 42 42 SER CB C 42 62.675 62.675 62.987 -0.312 18087 1735 1 4 . 1 1 42 42 SER H H 42 7.019 7.019 7.827 -0.808 18087 1736 1 4 . 1 1 43 43 GLY N N 43 109.381 109.381 108.459 0.922 18087 1737 1 4 . 1 1 43 43 GLY C C 43 176.476 176.476 175.761 0.715 18087 1738 1 4 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.616 0.403 18087 1739 1 4 . 1 1 43 43 GLY H H 43 8.666 8.666 8.688 -0.022 18087 1740 1 4 . 1 1 44 44 PHE N N 44 124.390 124.390 121.313 3.077 18087 1741 1 4 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.772 -0.445 18087 1742 1 4 . 1 1 44 44 PHE C C 44 176.516 176.516 178.080 -1.564 18087 1743 1 4 . 1 1 44 44 PHE CA C 44 60.094 60.094 59.926 0.168 18087 1744 1 4 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.806 0.418 18087 1745 1 4 . 1 1 44 44 PHE H H 44 8.226 8.226 7.645 0.581 18087 1746 1 4 . 1 1 45 45 LEU N N 45 117.156 117.156 120.979 -3.823 18087 1747 1 4 . 1 1 45 45 LEU HA H 45 3.418 3.418 3.955 -0.537 18087 1748 1 4 . 1 1 45 45 LEU C C 45 179.673 179.673 178.038 1.635 18087 1749 1 4 . 1 1 45 45 LEU CA C 45 57.522 57.522 58.054 -0.532 18087 1750 1 4 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.614 -1.000 18087 1751 1 4 . 1 1 45 45 LEU H H 45 8.627 8.627 9.060 -0.433 18087 1752 1 4 . 1 1 46 46 ASP N N 46 117.663 117.663 119.265 -1.602 18087 1753 1 4 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.228 0.117 18087 1754 1 4 . 1 1 46 46 ASP C C 46 177.844 177.844 178.274 -0.430 18087 1755 1 4 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.697 -0.913 18087 1756 1 4 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.729 0.401 18087 1757 1 4 . 1 1 46 46 ASP H H 46 7.933 7.933 8.160 -0.227 18087 1758 1 4 . 1 1 47 47 ALA N N 47 119.795 119.795 120.730 -0.935 18087 1759 1 4 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.043 0.160 18087 1760 1 4 . 1 1 47 47 ALA C C 47 179.300 179.300 180.370 -1.070 18087 1761 1 4 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.593 -1.232 18087 1762 1 4 . 1 1 47 47 ALA CB C 47 19.011 19.011 18.379 0.632 18087 1763 1 4 . 1 1 47 47 ALA H H 47 7.380 7.380 7.385 -0.005 18087 1764 1 4 . 1 1 48 48 GLN N N 48 115.955 115.955 117.113 -1.158 18087 1765 1 4 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.114 0.156 18087 1766 1 4 . 1 1 48 48 GLN C C 48 175.355 175.355 178.885 -3.530 18087 1767 1 4 . 1 1 48 48 GLN CA C 48 54.026 54.026 57.886 -3.860 18087 1768 1 4 . 1 1 48 48 GLN CB C 48 28.560 28.560 28.144 0.416 18087 1769 1 4 . 1 1 48 48 GLN H H 48 7.369 7.369 8.302 -0.933 18087 1770 1 4 . 1 1 49 49 LYS N N 49 119.402 119.402 118.626 0.776 18087 1771 1 4 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.071 -0.055 18087 1772 1 4 . 1 1 49 49 LYS C C 49 176.255 176.255 177.764 -1.509 18087 1773 1 4 . 1 1 49 49 LYS CA C 49 58.184 58.184 58.718 -0.534 18087 1774 1 4 . 1 1 49 49 LYS CB C 49 32.103 32.103 31.898 0.205 18087 1775 1 4 . 1 1 49 49 LYS H H 49 7.152 7.152 8.278 -1.126 18087 1776 1 4 . 1 1 50 50 ASP N N 50 117.172 117.172 115.874 1.298 18087 1777 1 4 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.544 0.051 18087 1778 1 4 . 1 1 50 50 ASP C C 50 175.916 175.916 176.403 -0.487 18087 1779 1 4 . 1 1 50 50 ASP CA C 50 54.217 54.217 55.120 -0.903 18087 1780 1 4 . 1 1 50 50 ASP CB C 50 40.309 40.309 41.371 -1.062 18087 1781 1 4 . 1 1 50 50 ASP H H 50 8.338 8.338 7.840 0.498 18087 1782 1 4 . 1 1 51 51 VAL N N 51 121.648 121.648 119.514 2.134 18087 1783 1 4 . 1 1 51 51 VAL HA H 51 3.997 3.997 4.212 -0.215 18087 1784 1 4 . 1 1 51 51 VAL C C 51 177.128 177.128 176.360 0.768 18087 1785 1 4 . 1 1 51 51 VAL CA C 51 62.404 62.404 61.643 0.761 18087 1786 1 4 . 1 1 51 51 VAL CB C 51 31.921 31.921 33.282 -1.361 18087 1787 1 4 . 1 1 51 51 VAL H H 51 7.604 7.604 7.751 -0.147 18087 1788 1 4 . 1 1 52 52 ASP N N 52 129.202 129.202 129.088 0.114 18087 1789 1 4 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.298 -0.026 18087 1790 1 4 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.400 0.783 18087 1791 1 4 . 1 1 52 52 ASP CB C 52 40.935 40.935 41.048 -0.113 18087 1792 1 4 . 1 1 52 52 ASP H H 52 8.702 8.702 9.039 -0.337 18087 1793 1 4 . 1 1 53 53 ALA N N 53 118.401 118.401 121.828 -3.427 18087 1794 1 4 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.116 -0.104 18087 1795 1 4 . 1 1 53 53 ALA C C 53 179.448 179.448 179.357 0.091 18087 1796 1 4 . 1 1 53 53 ALA CA C 53 55.053 55.053 54.524 0.529 18087 1797 1 4 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.011 1.353 18087 1798 1 4 . 1 1 53 53 ALA H H 53 8.478 8.478 8.391 0.087 18087 1799 1 4 . 1 1 54 54 VAL N N 54 115.050 115.050 118.672 -3.622 18087 1800 1 4 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.620 -0.078 18087 1801 1 4 . 1 1 54 54 VAL C C 54 177.000 177.000 177.067 -0.067 18087 1802 1 4 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.918 -1.698 18087 1803 1 4 . 1 1 54 54 VAL CB C 54 32.059 32.059 32.059 -0.000 18087 1804 1 4 . 1 1 54 54 VAL H H 54 6.988 6.988 7.550 -0.562 18087 1805 1 4 . 1 1 55 55 ASP N N 55 120.834 120.834 119.483 1.351 18087 1806 1 4 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.322 -0.044 18087 1807 1 4 . 1 1 55 55 ASP C C 55 178.307 178.307 178.272 0.035 18087 1808 1 4 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.791 -0.168 18087 1809 1 4 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.690 1.087 18087 1810 1 4 . 1 1 55 55 ASP H H 55 8.157 8.157 8.049 0.108 18087 1811 1 4 . 1 1 56 56 LYS N N 56 115.672 115.672 119.667 -3.995 18087 1812 1 4 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.030 -0.142 18087 1813 1 4 . 1 1 56 56 LYS C C 56 179.372 179.372 179.260 0.112 18087 1814 1 4 . 1 1 56 56 LYS CA C 56 59.608 59.608 59.565 0.043 18087 1815 1 4 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.583 -0.205 18087 1816 1 4 . 1 1 56 56 LYS H H 56 8.348 8.348 7.374 0.974 18087 1817 1 4 . 1 1 57 57 VAL N N 57 118.238 118.238 120.432 -2.194 18087 1818 1 4 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.754 -0.025 18087 1819 1 4 . 1 1 57 57 VAL C C 57 177.541 177.541 177.950 -0.409 18087 1820 1 4 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.367 -0.665 18087 1821 1 4 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.320 0.598 18087 1822 1 4 . 1 1 57 57 VAL H H 57 7.003 7.003 8.552 -1.549 18087 1823 1 4 . 1 1 58 58 MET N N 58 115.998 115.998 119.466 -3.468 18087 1824 1 4 . 1 1 58 58 MET HA H 58 4.313 4.313 4.014 0.299 18087 1825 1 4 . 1 1 58 58 MET C C 58 179.857 179.857 178.028 1.829 18087 1826 1 4 . 1 1 58 58 MET CA C 58 56.717 56.717 59.636 -2.919 18087 1827 1 4 . 1 1 58 58 MET CB C 58 32.366 32.366 32.386 -0.020 18087 1828 1 4 . 1 1 58 58 MET H H 58 7.836 7.836 8.509 -0.673 18087 1829 1 4 . 1 1 59 59 LYS N N 59 119.682 119.682 120.259 -0.577 18087 1830 1 4 . 1 1 59 59 LYS HA H 59 4.088 4.088 3.956 0.132 18087 1831 1 4 . 1 1 59 59 LYS CA C 59 59.442 59.442 60.152 -0.710 18087 1832 1 4 . 1 1 59 59 LYS CB C 59 32.504 32.504 32.279 0.225 18087 1833 1 4 . 1 1 59 59 LYS H H 59 8.619 8.619 8.536 0.083 18087 1834 1 4 . 1 1 60 60 GLU N N 60 119.917 119.917 119.860 0.057 18087 1835 1 4 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.027 -0.091 18087 1836 1 4 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.555 -0.315 18087 1837 1 4 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.657 0.432 18087 1838 1 4 . 1 1 60 60 GLU H H 60 7.721 7.721 8.030 -0.309 18087 1839 1 4 . 1 1 61 61 LEU N N 61 116.614 116.614 120.500 -3.886 18087 1840 1 4 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.029 -0.006 18087 1841 1 4 . 1 1 61 61 LEU C C 61 175.845 175.845 179.128 -3.283 18087 1842 1 4 . 1 1 61 61 LEU CA C 61 56.515 56.515 58.169 -1.654 18087 1843 1 4 . 1 1 61 61 LEU CB C 61 41.218 41.218 40.859 0.359 18087 1844 1 4 . 1 1 61 61 LEU H H 61 7.429 7.429 8.409 -0.980 18087 1845 1 4 . 1 1 62 62 ASP N N 62 116.147 116.147 120.371 -4.224 18087 1846 1 4 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.367 0.156 18087 1847 1 4 . 1 1 62 62 ASP C C 62 177.790 177.790 178.846 -1.056 18087 1848 1 4 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.502 -2.076 18087 1849 1 4 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.643 1.237 18087 1850 1 4 . 1 1 62 62 ASP H H 62 7.423 7.423 8.735 -1.312 18087 1851 1 4 . 1 1 63 63 GLU N N 63 119.660 119.660 119.590 0.070 18087 1852 1 4 . 1 1 63 63 GLU HA H 63 4.136 4.136 3.944 0.192 18087 1853 1 4 . 1 1 63 63 GLU CA C 63 57.377 57.377 59.326 -1.949 18087 1854 1 4 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.680 0.309 18087 1855 1 4 . 1 1 63 63 GLU H H 63 7.837 7.837 8.587 -0.750 18087 1856 1 4 . 1 1 64 64 ASN N N 64 118.376 118.376 118.378 -0.002 18087 1857 1 4 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.599 0.263 18087 1858 1 4 . 1 1 64 64 ASN C C 64 176.216 176.216 178.103 -1.887 18087 1859 1 4 . 1 1 64 64 ASN CA C 64 52.688 52.688 54.947 -2.259 18087 1860 1 4 . 1 1 64 64 ASN CB C 64 38.185 38.185 38.626 -0.441 18087 1861 1 4 . 1 1 64 64 ASN H H 64 8.012 8.012 8.608 -0.596 18087 1862 1 4 . 1 1 65 65 GLY N N 65 107.248 107.248 107.993 -0.745 18087 1863 1 4 . 1 1 65 65 GLY C C 65 173.971 173.971 174.187 -0.216 18087 1864 1 4 . 1 1 65 65 GLY CA C 65 47.136 47.136 44.885 2.251 18087 1865 1 4 . 1 1 65 65 GLY H H 65 7.989 7.989 8.703 -0.714 18087 1866 1 4 . 1 1 66 66 ASP N N 66 116.989 116.989 121.476 -4.487 18087 1867 1 4 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.403 0.385 18087 1868 1 4 . 1 1 66 66 ASP C C 66 177.289 177.289 177.115 0.174 18087 1869 1 4 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.665 -2.499 18087 1870 1 4 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.087 -0.100 18087 1871 1 4 . 1 1 66 66 ASP H H 66 8.233 8.233 8.380 -0.147 18087 1872 1 4 . 1 1 67 67 GLY N N 67 108.642 108.642 106.655 1.987 18087 1873 1 4 . 1 1 67 67 GLY C C 67 172.757 172.757 173.396 -0.639 18087 1874 1 4 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.595 -0.379 18087 1875 1 4 . 1 1 67 67 GLY H H 67 8.274 8.274 8.017 0.257 18087 1876 1 4 . 1 1 68 68 GLU N N 68 118.614 118.614 118.183 0.431 18087 1877 1 4 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.921 0.034 18087 1878 1 4 . 1 1 68 68 GLU C C 68 175.881 175.881 175.044 0.837 18087 1879 1 4 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.093 0.273 18087 1880 1 4 . 1 1 68 68 GLU CB C 68 33.488 33.488 33.657 -0.169 18087 1881 1 4 . 1 1 68 68 GLU H H 68 8.404 8.404 8.021 0.383 18087 1882 1 4 . 1 1 69 69 VAL N N 69 117.572 117.572 123.033 -5.461 18087 1883 1 4 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.693 0.072 18087 1884 1 4 . 1 1 69 69 VAL C C 69 174.820 174.820 173.837 0.983 18087 1885 1 4 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.947 0.004 18087 1886 1 4 . 1 1 69 69 VAL CB C 69 34.352 34.352 34.497 -0.145 18087 1887 1 4 . 1 1 69 69 VAL H H 69 9.167 9.167 9.272 -0.105 18087 1888 1 4 . 1 1 70 70 ASP N N 70 122.616 122.616 129.876 -7.260 18087 1889 1 4 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.161 0.053 18087 1890 1 4 . 1 1 70 70 ASP C C 70 175.822 175.822 176.278 -0.456 18087 1891 1 4 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.407 -1.031 18087 1892 1 4 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.636 -1.444 18087 1893 1 4 . 1 1 70 70 ASP H H 70 8.292 8.292 9.527 -1.235 18087 1894 1 4 . 1 1 71 71 PHE N N 71 119.243 119.243 119.964 -0.721 18087 1895 1 4 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.297 -0.546 18087 1896 1 4 . 1 1 71 71 PHE C C 71 176.387 176.387 176.997 -0.610 18087 1897 1 4 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.968 0.997 18087 1898 1 4 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.103 0.038 18087 1899 1 4 . 1 1 71 71 PHE H H 71 8.889 8.889 8.747 0.142 18087 1900 1 4 . 1 1 72 72 GLN N N 72 116.655 116.655 118.105 -1.450 18087 1901 1 4 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.678 0.030 18087 1902 1 4 . 1 1 72 72 GLN C C 72 177.102 177.102 177.968 -0.866 18087 1903 1 4 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.701 -0.426 18087 1904 1 4 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.054 0.113 18087 1905 1 4 . 1 1 72 72 GLN H H 72 8.021 8.021 8.135 -0.114 18087 1906 1 4 . 1 1 73 73 GLU N N 73 119.195 119.195 119.738 -0.543 18087 1907 1 4 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.080 0.413 18087 1908 1 4 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.561 -4.382 18087 1909 1 4 . 1 1 73 73 GLU CB C 73 31.814 31.814 28.839 2.975 18087 1910 1 4 . 1 1 73 73 GLU H H 73 8.066 8.066 8.494 -0.428 18087 1911 1 4 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.141 -0.055 18087 1912 1 4 . 1 1 74 74 TYR CA C 74 60.497 60.497 61.237 -0.740 18087 1913 1 4 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.535 -0.709 18087 1914 1 4 . 1 1 75 75 VAL N N 75 120.072 120.072 116.779 3.293 18087 1915 1 4 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.146 -0.163 18087 1916 1 4 . 1 1 75 75 VAL C C 75 177.295 177.295 177.263 0.032 18087 1917 1 4 . 1 1 75 75 VAL CA C 75 65.692 65.692 66.420 -0.728 18087 1918 1 4 . 1 1 75 75 VAL CB C 75 30.618 30.618 31.075 -0.457 18087 1919 1 4 . 1 1 75 75 VAL H H 75 8.291 8.291 8.129 0.162 18087 1920 1 4 . 1 1 76 76 VAL N N 76 121.367 121.367 120.069 1.298 18087 1921 1 4 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.511 0.009 18087 1922 1 4 . 1 1 76 76 VAL C C 76 178.847 178.847 177.201 1.646 18087 1923 1 4 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.980 0.573 18087 1924 1 4 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.568 -0.180 18087 1925 1 4 . 1 1 76 76 VAL H H 76 7.571 7.571 7.467 0.104 18087 1926 1 4 . 1 1 77 77 LEU N N 77 123.054 123.054 121.016 2.038 18087 1927 1 4 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.975 0.154 18087 1928 1 4 . 1 1 77 77 LEU C C 77 179.065 179.065 178.367 0.698 18087 1929 1 4 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.213 0.279 18087 1930 1 4 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.519 -0.223 18087 1931 1 4 . 1 1 77 77 LEU H H 77 7.360 7.360 8.101 -0.741 18087 1932 1 4 . 1 1 78 78 VAL N N 78 119.163 119.163 115.895 3.268 18087 1933 1 4 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.526 -0.253 18087 1934 1 4 . 1 1 78 78 VAL C C 78 180.217 180.217 177.778 2.439 18087 1935 1 4 . 1 1 78 78 VAL CA C 78 67.270 67.270 66.130 1.140 18087 1936 1 4 . 1 1 78 78 VAL CB C 78 31.181 31.181 30.707 0.474 18087 1937 1 4 . 1 1 78 78 VAL H H 78 8.192 8.192 7.773 0.419 18087 1938 1 4 . 1 1 79 79 ALA N N 79 125.884 125.884 123.333 2.551 18087 1939 1 4 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.758 0.039 18087 1940 1 4 . 1 1 79 79 ALA C C 79 178.708 178.708 178.894 -0.186 18087 1941 1 4 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.206 0.685 18087 1942 1 4 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.840 -0.477 18087 1943 1 4 . 1 1 79 79 ALA H H 79 9.067 9.067 8.611 0.456 18087 1944 1 4 . 1 1 80 80 ALA N N 80 121.108 121.108 121.758 -0.650 18087 1945 1 4 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.904 0.220 18087 1946 1 4 . 1 1 80 80 ALA C C 80 182.175 182.175 179.555 2.620 18087 1947 1 4 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.198 0.225 18087 1948 1 4 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.033 -0.364 18087 1949 1 4 . 1 1 80 80 ALA H H 80 7.776 7.776 8.596 -0.820 18087 1950 1 4 . 1 1 81 81 LEU N N 81 118.519 118.519 118.586 -0.067 18087 1951 1 4 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.993 0.125 18087 1952 1 4 . 1 1 81 81 LEU C C 81 177.959 177.959 179.456 -1.497 18087 1953 1 4 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.504 -0.015 18087 1954 1 4 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.545 0.624 18087 1955 1 4 . 1 1 81 81 LEU H H 81 8.097 8.097 7.696 0.401 18087 1956 1 4 . 1 1 82 82 THR N N 82 119.572 119.572 116.328 3.244 18087 1957 1 4 . 1 1 82 82 THR HA H 82 3.777 3.777 3.059 0.718 18087 1958 1 4 . 1 1 82 82 THR C C 82 176.911 176.911 176.711 0.200 18087 1959 1 4 . 1 1 82 82 THR CA C 82 68.058 68.058 66.008 2.050 18087 1960 1 4 . 1 1 82 82 THR CB C 82 67.402 67.402 67.708 -0.306 18087 1961 1 4 . 1 1 82 82 THR H H 82 8.537 8.537 8.023 0.514 18087 1962 1 4 . 1 1 83 83 VAL N N 83 123.805 123.805 121.917 1.888 18087 1963 1 4 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.601 0.129 18087 1964 1 4 . 1 1 83 83 VAL C C 83 177.787 177.787 176.897 0.890 18087 1965 1 4 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.883 1.510 18087 1966 1 4 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.386 0.305 18087 1967 1 4 . 1 1 83 83 VAL H H 83 8.283 8.283 8.540 -0.257 18087 1968 1 4 . 1 1 84 84 ALA N N 84 121.134 121.134 121.765 -0.631 18087 1969 1 4 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.965 0.271 18087 1970 1 4 . 1 1 84 84 ALA C C 84 180.511 180.511 179.868 0.643 18087 1971 1 4 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.043 0.132 18087 1972 1 4 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.326 -0.899 18087 1973 1 4 . 1 1 84 84 ALA H H 84 7.466 7.466 8.210 -0.744 18087 1974 1 4 . 1 1 85 85 MET N N 85 121.755 121.755 118.799 2.956 18087 1975 1 4 . 1 1 85 85 MET HA H 85 3.796 3.796 4.356 -0.560 18087 1976 1 4 . 1 1 85 85 MET CA C 85 59.656 59.656 58.878 0.778 18087 1977 1 4 . 1 1 85 85 MET CB C 85 33.653 33.653 33.205 0.448 18087 1978 1 4 . 1 1 85 85 MET H H 85 8.549 8.549 8.334 0.215 18087 1979 1 4 . 1 1 86 86 ASN N N 86 119.410 119.410 118.854 0.556 18087 1980 1 4 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.021 0.131 18087 1981 1 4 . 1 1 86 86 ASN C C 86 176.834 176.834 177.233 -0.399 18087 1982 1 4 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.793 1.269 18087 1983 1 4 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.124 1.806 18087 1984 1 4 . 1 1 86 86 ASN H H 86 8.615 8.615 8.894 -0.279 18087 1985 1 4 . 1 1 87 87 ASN N N 87 117.077 117.077 118.866 -1.789 18087 1986 1 4 . 1 1 87 87 ASN HA H 87 4.446 4.446 4.431 0.015 18087 1987 1 4 . 1 1 87 87 ASN C C 87 176.906 176.906 177.406 -0.500 18087 1988 1 4 . 1 1 87 87 ASN CA C 87 55.602 55.602 56.565 -0.963 18087 1989 1 4 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.177 -0.601 18087 1990 1 4 . 1 1 87 87 ASN H H 87 8.286 8.286 7.847 0.439 18087 1991 1 4 . 1 1 88 88 PHE N N 88 119.698 119.698 118.808 0.890 18087 1992 1 4 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.546 -0.068 18087 1993 1 4 . 1 1 88 88 PHE C C 88 177.057 177.057 178.438 -1.381 18087 1994 1 4 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.525 -1.979 18087 1995 1 4 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.592 1.019 18087 1996 1 4 . 1 1 88 88 PHE H H 88 7.909 7.909 8.737 -0.828 18087 1997 1 4 . 1 1 89 89 PHE N N 89 116.219 116.219 117.034 -0.815 18087 1998 1 4 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.213 -0.003 18087 1999 1 4 . 1 1 89 89 PHE C C 89 177.637 177.637 177.588 0.049 18087 2000 1 4 . 1 1 89 89 PHE CA C 89 58.752 58.752 59.685 -0.933 18087 2001 1 4 . 1 1 89 89 PHE CB C 89 39.781 39.781 37.877 1.903 18087 2002 1 4 . 1 1 89 89 PHE H H 89 8.049 8.049 7.927 0.122 18087 2003 1 4 . 1 1 90 90 TRP N N 90 117.712 117.712 118.325 -0.613 18087 2004 1 4 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.658 -0.130 18087 2005 1 4 . 1 1 90 90 TRP C C 90 176.741 176.741 178.057 -1.316 18087 2006 1 4 . 1 1 90 90 TRP CA C 90 58.109 58.109 59.487 -1.378 18087 2007 1 4 . 1 1 90 90 TRP CB C 90 29.720 29.720 29.578 0.142 18087 2008 1 4 . 1 1 90 90 TRP H H 90 8.257 8.257 8.385 -0.128 18087 2009 1 4 . 1 1 91 91 GLU N N 91 120.493 120.493 117.133 3.360 18087 2010 1 4 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.472 -0.044 18087 2011 1 4 . 1 1 91 91 GLU C C 91 176.393 176.393 176.144 0.249 18087 2012 1 4 . 1 1 91 91 GLU CA C 91 57.193 57.193 56.968 0.225 18087 2013 1 4 . 1 1 91 91 GLU CB C 91 29.850 29.850 31.095 -1.245 18087 2014 1 4 . 1 1 91 91 GLU H H 91 7.988 7.988 8.472 -0.484 18087 2015 1 4 . 1 1 92 92 ASN N N 92 119.006 119.006 119.658 -0.652 18087 2016 1 4 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.788 -0.001 18087 2017 1 4 . 1 1 92 92 ASN C C 92 174.284 174.284 174.235 0.049 18087 2018 1 4 . 1 1 92 92 ASN CA C 92 53.198 53.198 53.342 -0.144 18087 2019 1 4 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.134 1.099 18087 2020 1 4 . 1 1 92 92 ASN H H 92 8.203 8.203 8.075 0.128 18087 2021 1 5 . 1 1 2 2 SER N N 2 117.254 117.254 115.256 1.998 18087 2022 1 5 . 1 1 2 2 SER HA H 2 4.737 4.737 4.636 0.101 18087 2023 1 5 . 1 1 2 2 SER C C 2 175.320 175.320 175.800 -0.480 18087 2024 1 5 . 1 1 2 2 SER CA C 2 57.476 57.476 57.382 0.094 18087 2025 1 5 . 1 1 2 2 SER CB C 2 64.594 64.594 64.167 0.427 18087 2026 1 5 . 1 1 2 2 SER H H 2 8.686 8.686 9.269 -0.583 18087 2027 1 5 . 1 1 3 3 GLU N N 3 124.640 124.640 121.888 2.752 18087 2028 1 5 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.032 0.076 18087 2029 1 5 . 1 1 3 3 GLU C C 3 178.972 178.972 178.493 0.479 18087 2030 1 5 . 1 1 3 3 GLU CA C 3 60.375 60.375 60.531 -0.155 18087 2031 1 5 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.118 0.626 18087 2032 1 5 . 1 1 3 3 GLU H H 3 9.242 9.242 8.851 0.391 18087 2033 1 5 . 1 1 4 4 LEU N N 4 119.682 119.682 119.022 0.660 18087 2034 1 5 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.059 -0.107 18087 2035 1 5 . 1 1 4 4 LEU C C 4 178.027 178.027 179.121 -1.094 18087 2036 1 5 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.562 -0.383 18087 2037 1 5 . 1 1 4 4 LEU CB C 4 42.308 42.308 41.007 1.301 18087 2038 1 5 . 1 1 4 4 LEU H H 4 8.952 8.952 8.377 0.575 18087 2039 1 5 . 1 1 5 5 GLU N N 5 118.542 118.542 118.718 -0.176 18087 2040 1 5 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.009 -0.217 18087 2041 1 5 . 1 1 5 5 GLU C C 5 178.389 178.389 179.161 -0.772 18087 2042 1 5 . 1 1 5 5 GLU CA C 5 60.051 60.051 59.980 0.071 18087 2043 1 5 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.305 0.678 18087 2044 1 5 . 1 1 5 5 GLU H H 5 7.968 7.968 8.383 -0.415 18087 2045 1 5 . 1 1 6 6 THR N N 6 114.278 114.278 116.750 -2.472 18087 2046 1 5 . 1 1 6 6 THR HA H 6 4.015 4.015 4.034 -0.019 18087 2047 1 5 . 1 1 6 6 THR C C 6 176.990 176.990 177.073 -0.083 18087 2048 1 5 . 1 1 6 6 THR CA C 6 66.450 66.450 66.942 -0.492 18087 2049 1 5 . 1 1 6 6 THR CB C 6 68.637 68.637 68.643 -0.006 18087 2050 1 5 . 1 1 6 6 THR H H 6 8.177 8.177 8.734 -0.557 18087 2051 1 5 . 1 1 7 7 ALA N N 7 126.659 126.659 126.630 0.029 18087 2052 1 5 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.069 0.094 18087 2053 1 5 . 1 1 7 7 ALA C C 7 179.338 179.338 179.670 -0.332 18087 2054 1 5 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.299 0.516 18087 2055 1 5 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.262 -0.078 18087 2056 1 5 . 1 1 7 7 ALA H H 7 8.166 8.166 8.947 -0.780 18087 2057 1 5 . 1 1 8 8 MET N N 8 117.727 117.727 117.057 0.670 18087 2058 1 5 . 1 1 8 8 MET HA H 8 3.731 3.731 4.248 -0.517 18087 2059 1 5 . 1 1 8 8 MET C C 8 178.071 178.071 179.121 -1.050 18087 2060 1 5 . 1 1 8 8 MET CA C 8 60.447 60.447 57.157 3.289 18087 2061 1 5 . 1 1 8 8 MET CB C 8 34.928 34.928 31.410 3.518 18087 2062 1 5 . 1 1 8 8 MET H H 8 8.090 8.090 8.515 -0.425 18087 2063 1 5 . 1 1 9 9 GLU N N 9 117.303 117.303 120.179 -2.876 18087 2064 1 5 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.961 -0.054 18087 2065 1 5 . 1 1 9 9 GLU C C 9 179.261 179.261 179.234 0.027 18087 2066 1 5 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.778 0.252 18087 2067 1 5 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.500 -0.001 18087 2068 1 5 . 1 1 9 9 GLU H H 9 8.603 8.603 8.762 -0.159 18087 2069 1 5 . 1 1 10 10 THR N N 10 117.583 117.583 118.067 -0.484 18087 2070 1 5 . 1 1 10 10 THR HA H 10 4.088 4.088 4.032 0.056 18087 2071 1 5 . 1 1 10 10 THR C C 10 175.758 175.758 176.909 -1.151 18087 2072 1 5 . 1 1 10 10 THR CA C 10 67.439 67.439 67.192 0.247 18087 2073 1 5 . 1 1 10 10 THR CB C 10 68.014 68.014 68.654 -0.640 18087 2074 1 5 . 1 1 10 10 THR H H 10 8.483 8.483 8.756 -0.273 18087 2075 1 5 . 1 1 11 11 LEU N N 11 119.623 119.623 122.188 -2.565 18087 2076 1 5 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.312 -0.343 18087 2077 1 5 . 1 1 11 11 LEU C C 11 178.935 178.935 179.477 -0.542 18087 2078 1 5 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.430 0.745 18087 2079 1 5 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.773 0.088 18087 2080 1 5 . 1 1 11 11 LEU H H 11 8.013 8.013 8.025 -0.012 18087 2081 1 5 . 1 1 12 12 ILE N N 12 119.751 119.751 120.461 -0.710 18087 2082 1 5 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.370 0.623 18087 2083 1 5 . 1 1 12 12 ILE C C 12 177.717 177.717 178.117 -0.400 18087 2084 1 5 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.050 1.698 18087 2085 1 5 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.361 2.905 18087 2086 1 5 . 1 1 12 12 ILE H H 12 7.708 7.708 8.464 -0.756 18087 2087 1 5 . 1 1 13 13 ASN N N 13 121.260 121.260 119.376 1.884 18087 2088 1 5 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.620 -0.053 18087 2089 1 5 . 1 1 13 13 ASN C C 13 178.941 178.941 178.294 0.647 18087 2090 1 5 . 1 1 13 13 ASN CA C 13 56.339 56.339 56.490 -0.151 18087 2091 1 5 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.122 -0.028 18087 2092 1 5 . 1 1 13 13 ASN H H 13 9.125 9.125 8.946 0.179 18087 2093 1 5 . 1 1 14 14 VAL N N 14 120.868 120.868 120.531 0.337 18087 2094 1 5 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.815 0.052 18087 2095 1 5 . 1 1 14 14 VAL C C 14 177.827 177.827 177.796 0.031 18087 2096 1 5 . 1 1 14 14 VAL CA C 14 66.715 66.715 66.744 -0.029 18087 2097 1 5 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.433 0.469 18087 2098 1 5 . 1 1 14 14 VAL H H 14 8.965 8.965 8.289 0.676 18087 2099 1 5 . 1 1 15 15 PHE N N 15 117.672 117.672 121.566 -3.894 18087 2100 1 5 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.882 -0.436 18087 2101 1 5 . 1 1 15 15 PHE C C 15 177.713 177.713 177.497 0.216 18087 2102 1 5 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.221 0.220 18087 2103 1 5 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.081 0.099 18087 2104 1 5 . 1 1 15 15 PHE H H 15 6.968 6.968 9.008 -2.040 18087 2105 1 5 . 1 1 16 16 HIS N N 16 115.122 115.122 118.904 -3.782 18087 2106 1 5 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.343 0.026 18087 2107 1 5 . 1 1 16 16 HIS C C 16 176.987 176.987 177.871 -0.884 18087 2108 1 5 . 1 1 16 16 HIS CA C 16 58.413 58.413 59.618 -1.205 18087 2109 1 5 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.302 -1.042 18087 2110 1 5 . 1 1 16 16 HIS H H 16 8.020 8.020 9.000 -0.980 18087 2111 1 5 . 1 1 17 17 ALA N N 17 122.533 122.533 122.536 -0.003 18087 2112 1 5 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.896 0.221 18087 2113 1 5 . 1 1 17 17 ALA CA C 17 54.064 54.064 55.270 -1.206 18087 2114 1 5 . 1 1 17 17 ALA CB C 17 17.908 17.908 17.914 -0.006 18087 2115 1 5 . 1 1 17 17 ALA H H 17 8.282 8.282 8.499 -0.217 18087 2116 1 5 . 1 1 18 18 HIS N N 18 113.127 113.127 116.682 -3.555 18087 2117 1 5 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.340 0.068 18087 2118 1 5 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.286 -2.038 18087 2119 1 5 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.746 1.516 18087 2120 1 5 . 1 1 18 18 HIS H H 18 7.124 7.124 8.186 -1.062 18087 2121 1 5 . 1 1 19 19 SER HA H 19 3.963 3.963 4.217 -0.254 18087 2122 1 5 . 1 1 19 19 SER CA C 19 59.969 59.969 62.484 -2.515 18087 2123 1 5 . 1 1 19 19 SER CB C 19 62.416 62.416 62.597 -0.181 18087 2124 1 5 . 1 1 20 20 GLY N N 20 107.243 107.243 109.292 -2.049 18087 2125 1 5 . 1 1 20 20 GLY CA C 20 46.114 46.114 47.431 -1.317 18087 2126 1 5 . 1 1 20 20 GLY H H 20 7.915 7.915 8.757 -0.842 18087 2127 1 5 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.051 -0.094 18087 2128 1 5 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.301 -0.257 18087 2129 1 5 . 1 1 21 21 LYS CB C 21 31.937 31.937 31.551 0.386 18087 2130 1 5 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.142 -0.100 18087 2131 1 5 . 1 1 22 22 GLU CA C 22 58.755 58.755 58.269 0.486 18087 2132 1 5 . 1 1 22 22 GLU CB C 22 30.184 30.184 30.722 -0.538 18087 2133 1 5 . 1 1 23 23 GLY N N 23 111.113 111.113 106.347 4.766 18087 2134 1 5 . 1 1 23 23 GLY CA C 23 46.790 46.790 44.837 1.953 18087 2135 1 5 . 1 1 23 23 GLY H H 23 8.435 8.435 8.220 0.215 18087 2136 1 5 . 1 1 24 24 ASP N N 24 123.994 123.994 121.505 2.489 18087 2137 1 5 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.585 -0.089 18087 2138 1 5 . 1 1 24 24 ASP CA C 24 54.286 54.286 53.758 0.528 18087 2139 1 5 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.372 -0.370 18087 2140 1 5 . 1 1 24 24 ASP H H 24 8.501 8.501 8.161 0.340 18087 2141 1 5 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.017 0.425 18087 2142 1 5 . 1 1 25 25 LYS CA C 25 56.523 56.523 57.848 -1.325 18087 2143 1 5 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.387 0.884 18087 2144 1 5 . 1 1 26 26 TYR N N 26 119.967 119.967 114.106 5.861 18087 2145 1 5 . 1 1 26 26 TYR HA H 26 4.792 4.792 5.231 -0.439 18087 2146 1 5 . 1 1 26 26 TYR CA C 26 57.019 57.019 55.498 1.521 18087 2147 1 5 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.531 -0.100 18087 2148 1 5 . 1 1 26 26 TYR H H 26 8.712 8.712 8.450 0.262 18087 2149 1 5 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.989 0.310 18087 2150 1 5 . 1 1 27 27 LYS C C 27 174.308 174.308 173.935 0.373 18087 2151 1 5 . 1 1 27 27 LYS CA C 27 54.365 54.365 55.091 -0.726 18087 2152 1 5 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.754 -0.360 18087 2153 1 5 . 1 1 28 28 LEU N N 28 121.194 121.194 123.927 -2.733 18087 2154 1 5 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.886 -0.166 18087 2155 1 5 . 1 1 28 28 LEU C C 28 178.895 178.895 174.388 4.507 18087 2156 1 5 . 1 1 28 28 LEU CA C 28 52.968 52.968 53.316 -0.348 18087 2157 1 5 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.929 0.282 18087 2158 1 5 . 1 1 28 28 LEU H H 28 8.632 8.632 9.384 -0.752 18087 2159 1 5 . 1 1 29 29 SER N N 29 119.705 119.705 121.320 -1.615 18087 2160 1 5 . 1 1 29 29 SER HA H 29 4.987 4.987 4.829 0.158 18087 2161 1 5 . 1 1 29 29 SER C C 29 175.742 175.742 174.935 0.807 18087 2162 1 5 . 1 1 29 29 SER CA C 29 57.873 57.873 56.861 1.012 18087 2163 1 5 . 1 1 29 29 SER CB C 29 64.531 64.531 65.247 -0.716 18087 2164 1 5 . 1 1 29 29 SER H H 29 8.901 8.901 9.820 -0.919 18087 2165 1 5 . 1 1 30 30 LYS N N 30 124.208 124.208 121.645 2.563 18087 2166 1 5 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.183 -0.369 18087 2167 1 5 . 1 1 30 30 LYS C C 30 178.469 178.469 178.286 0.183 18087 2168 1 5 . 1 1 30 30 LYS CA C 30 61.433 61.433 58.050 3.383 18087 2169 1 5 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.582 0.687 18087 2170 1 5 . 1 1 30 30 LYS H H 30 8.836 8.836 8.938 -0.102 18087 2171 1 5 . 1 1 31 31 LYS N N 31 119.570 119.570 120.744 -1.174 18087 2172 1 5 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.058 -0.012 18087 2173 1 5 . 1 1 31 31 LYS C C 31 179.409 179.409 178.596 0.813 18087 2174 1 5 . 1 1 31 31 LYS CA C 31 59.223 59.223 59.294 -0.071 18087 2175 1 5 . 1 1 31 31 LYS CB C 31 32.386 32.386 31.895 0.491 18087 2176 1 5 . 1 1 31 31 LYS H H 31 8.597 8.597 7.820 0.777 18087 2177 1 5 . 1 1 32 32 GLU N N 32 119.551 119.551 119.292 0.259 18087 2178 1 5 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.143 -0.097 18087 2179 1 5 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.241 0.757 18087 2180 1 5 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.491 -1.021 18087 2181 1 5 . 1 1 32 32 GLU H H 32 7.442 7.442 8.023 -0.581 18087 2182 1 5 . 1 1 33 33 LEU N N 33 121.725 121.725 121.018 0.707 18087 2183 1 5 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.888 0.180 18087 2184 1 5 . 1 1 33 33 LEU C C 33 177.279 177.279 178.158 -0.879 18087 2185 1 5 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.691 -1.295 18087 2186 1 5 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.550 -0.965 18087 2187 1 5 . 1 1 33 33 LEU H H 33 8.579 8.579 7.998 0.581 18087 2188 1 5 . 1 1 34 34 LYS N N 34 120.543 120.543 118.288 2.255 18087 2189 1 5 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.930 -0.294 18087 2190 1 5 . 1 1 34 34 LYS C C 34 177.868 177.868 178.807 -0.939 18087 2191 1 5 . 1 1 34 34 LYS CA C 34 60.704 60.704 60.110 0.594 18087 2192 1 5 . 1 1 34 34 LYS CB C 34 31.870 31.870 32.118 -0.248 18087 2193 1 5 . 1 1 34 34 LYS H H 34 8.618 8.618 7.609 1.009 18087 2194 1 5 . 1 1 35 35 GLU N N 35 117.340 117.340 119.847 -2.507 18087 2195 1 5 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.014 -0.007 18087 2196 1 5 . 1 1 35 35 GLU C C 35 179.008 179.008 179.336 -0.328 18087 2197 1 5 . 1 1 35 35 GLU CA C 35 59.366 59.366 59.351 0.015 18087 2198 1 5 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.613 -0.418 18087 2199 1 5 . 1 1 35 35 GLU H H 35 7.713 7.713 7.736 -0.023 18087 2200 1 5 . 1 1 36 36 LEU N N 36 122.745 122.745 123.193 -0.448 18087 2201 1 5 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.924 0.089 18087 2202 1 5 . 1 1 36 36 LEU C C 36 178.646 178.646 177.996 0.650 18087 2203 1 5 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.223 0.153 18087 2204 1 5 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.297 0.591 18087 2205 1 5 . 1 1 36 36 LEU H H 36 8.150 8.150 8.679 -0.529 18087 2206 1 5 . 1 1 37 37 LEU N N 37 118.881 118.881 119.712 -0.831 18087 2207 1 5 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.047 -0.299 18087 2208 1 5 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.549 -0.188 18087 2209 1 5 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.133 0.280 18087 2210 1 5 . 1 1 37 37 LEU H H 37 8.495 8.495 8.887 -0.392 18087 2211 1 5 . 1 1 38 38 GLN N N 38 115.311 115.311 117.095 -1.784 18087 2212 1 5 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.053 -0.264 18087 2213 1 5 . 1 1 38 38 GLN C C 38 177.826 177.826 178.274 -0.448 18087 2214 1 5 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.639 0.221 18087 2215 1 5 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.213 0.108 18087 2216 1 5 . 1 1 38 38 GLN H H 38 8.348 8.348 8.273 0.075 18087 2217 1 5 . 1 1 39 39 THR N N 39 112.151 112.151 116.306 -4.155 18087 2218 1 5 . 1 1 39 39 THR HA H 39 4.186 4.186 4.087 0.099 18087 2219 1 5 . 1 1 39 39 THR C C 39 177.166 177.166 177.495 -0.329 18087 2220 1 5 . 1 1 39 39 THR CA C 39 65.284 65.284 66.604 -1.320 18087 2221 1 5 . 1 1 39 39 THR CB C 39 69.179 69.179 68.823 0.356 18087 2222 1 5 . 1 1 39 39 THR H H 39 7.872 7.872 8.438 -0.566 18087 2223 1 5 . 1 1 40 40 GLU N N 40 119.602 119.602 120.784 -1.182 18087 2224 1 5 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.316 0.050 18087 2225 1 5 . 1 1 40 40 GLU C C 40 178.228 178.228 178.788 -0.560 18087 2226 1 5 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.039 0.584 18087 2227 1 5 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.805 1.129 18087 2228 1 5 . 1 1 40 40 GLU H H 40 8.713 8.713 8.611 0.102 18087 2229 1 5 . 1 1 41 41 LEU N N 41 118.018 118.018 122.292 -4.274 18087 2230 1 5 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.669 0.463 18087 2231 1 5 . 1 1 41 41 LEU C C 41 176.993 176.993 176.635 0.358 18087 2232 1 5 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.623 -0.804 18087 2233 1 5 . 1 1 41 41 LEU CB C 41 41.962 41.962 39.928 2.034 18087 2234 1 5 . 1 1 41 41 LEU H H 41 8.243 8.243 8.035 0.208 18087 2235 1 5 . 1 1 42 42 SER N N 42 114.483 114.483 117.088 -2.605 18087 2236 1 5 . 1 1 42 42 SER HA H 42 3.950 3.950 4.251 -0.301 18087 2237 1 5 . 1 1 42 42 SER C C 42 176.651 176.651 176.967 -0.316 18087 2238 1 5 . 1 1 42 42 SER CA C 42 62.225 62.225 62.040 0.185 18087 2239 1 5 . 1 1 42 42 SER CB C 42 62.675 62.675 62.658 0.017 18087 2240 1 5 . 1 1 42 42 SER H H 42 7.019 7.019 7.807 -0.788 18087 2241 1 5 . 1 1 43 43 GLY N N 43 109.381 109.381 109.412 -0.031 18087 2242 1 5 . 1 1 43 43 GLY C C 43 176.476 176.476 175.659 0.817 18087 2243 1 5 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.670 0.349 18087 2244 1 5 . 1 1 43 43 GLY H H 43 8.666 8.666 8.748 -0.082 18087 2245 1 5 . 1 1 44 44 PHE N N 44 124.390 124.390 121.974 2.416 18087 2246 1 5 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.757 -0.430 18087 2247 1 5 . 1 1 44 44 PHE C C 44 176.516 176.516 178.096 -1.580 18087 2248 1 5 . 1 1 44 44 PHE CA C 44 60.094 60.094 60.374 -0.280 18087 2249 1 5 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.853 0.371 18087 2250 1 5 . 1 1 44 44 PHE H H 44 8.226 8.226 7.846 0.380 18087 2251 1 5 . 1 1 45 45 LEU N N 45 117.156 117.156 121.189 -4.033 18087 2252 1 5 . 1 1 45 45 LEU HA H 45 3.418 3.418 3.943 -0.525 18087 2253 1 5 . 1 1 45 45 LEU C C 45 179.673 179.673 178.065 1.608 18087 2254 1 5 . 1 1 45 45 LEU CA C 45 57.522 57.522 57.998 -0.476 18087 2255 1 5 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.684 -1.070 18087 2256 1 5 . 1 1 45 45 LEU H H 45 8.627 8.627 9.095 -0.468 18087 2257 1 5 . 1 1 46 46 ASP N N 46 117.663 117.663 118.934 -1.271 18087 2258 1 5 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.293 0.052 18087 2259 1 5 . 1 1 46 46 ASP C C 46 177.844 177.844 178.964 -1.120 18087 2260 1 5 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.450 -0.666 18087 2261 1 5 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.785 0.345 18087 2262 1 5 . 1 1 46 46 ASP H H 46 7.933 7.933 8.424 -0.491 18087 2263 1 5 . 1 1 47 47 ALA N N 47 119.795 119.795 121.465 -1.670 18087 2264 1 5 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.103 0.100 18087 2265 1 5 . 1 1 47 47 ALA C C 47 179.300 179.300 179.955 -0.655 18087 2266 1 5 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.657 -1.295 18087 2267 1 5 . 1 1 47 47 ALA CB C 47 19.011 19.011 18.576 0.435 18087 2268 1 5 . 1 1 47 47 ALA H H 47 7.380 7.380 8.117 -0.737 18087 2269 1 5 . 1 1 48 48 GLN N N 48 115.955 115.955 116.694 -0.739 18087 2270 1 5 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.253 0.017 18087 2271 1 5 . 1 1 48 48 GLN C C 48 175.355 175.355 178.382 -3.027 18087 2272 1 5 . 1 1 48 48 GLN CA C 48 54.026 54.026 56.219 -2.193 18087 2273 1 5 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.966 0.594 18087 2274 1 5 . 1 1 48 48 GLN H H 48 7.369 7.369 8.439 -1.070 18087 2275 1 5 . 1 1 49 49 LYS N N 49 119.402 119.402 120.344 -0.942 18087 2276 1 5 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.062 -0.046 18087 2277 1 5 . 1 1 49 49 LYS C C 49 176.255 176.255 177.244 -0.989 18087 2278 1 5 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.028 -0.844 18087 2279 1 5 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.302 -0.199 18087 2280 1 5 . 1 1 49 49 LYS H H 49 7.152 7.152 7.673 -0.521 18087 2281 1 5 . 1 1 50 50 ASP N N 50 117.172 117.172 116.539 0.633 18087 2282 1 5 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.733 -0.138 18087 2283 1 5 . 1 1 50 50 ASP C C 50 175.916 175.916 176.126 -0.210 18087 2284 1 5 . 1 1 50 50 ASP CA C 50 54.217 54.217 53.636 0.580 18087 2285 1 5 . 1 1 50 50 ASP CB C 50 40.309 40.309 40.495 -0.186 18087 2286 1 5 . 1 1 50 50 ASP H H 50 8.338 8.338 8.069 0.269 18087 2287 1 5 . 1 1 51 51 VAL N N 51 121.648 121.648 118.949 2.699 18087 2288 1 5 . 1 1 51 51 VAL HA H 51 3.997 3.997 4.150 -0.153 18087 2289 1 5 . 1 1 51 51 VAL C C 51 177.128 177.128 177.042 0.086 18087 2290 1 5 . 1 1 51 51 VAL CA C 51 62.404 62.404 62.438 -0.034 18087 2291 1 5 . 1 1 51 51 VAL CB C 51 31.921 31.921 33.211 -1.290 18087 2292 1 5 . 1 1 51 51 VAL H H 51 7.604 7.604 7.538 0.066 18087 2293 1 5 . 1 1 52 52 ASP N N 52 129.202 129.202 120.252 8.950 18087 2294 1 5 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.119 0.154 18087 2295 1 5 . 1 1 52 52 ASP CA C 52 58.183 58.183 56.855 1.328 18087 2296 1 5 . 1 1 52 52 ASP CB C 52 40.935 40.935 40.077 0.858 18087 2297 1 5 . 1 1 52 52 ASP H H 52 8.702 8.702 8.679 0.023 18087 2298 1 5 . 1 1 53 53 ALA N N 53 118.401 118.401 121.759 -3.358 18087 2299 1 5 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.009 0.003 18087 2300 1 5 . 1 1 53 53 ALA C C 53 179.448 179.448 179.040 0.408 18087 2301 1 5 . 1 1 53 53 ALA CA C 53 55.053 55.053 55.167 -0.114 18087 2302 1 5 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.480 0.884 18087 2303 1 5 . 1 1 53 53 ALA H H 53 8.478 8.478 8.232 0.246 18087 2304 1 5 . 1 1 54 54 VAL N N 54 115.050 115.050 117.984 -2.934 18087 2305 1 5 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.602 -0.060 18087 2306 1 5 . 1 1 54 54 VAL C C 54 177.000 177.000 177.233 -0.233 18087 2307 1 5 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.562 -1.342 18087 2308 1 5 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.961 0.098 18087 2309 1 5 . 1 1 54 54 VAL H H 54 6.988 6.988 8.118 -1.130 18087 2310 1 5 . 1 1 55 55 ASP N N 55 120.834 120.834 119.300 1.534 18087 2311 1 5 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.353 -0.075 18087 2312 1 5 . 1 1 55 55 ASP C C 55 178.307 178.307 178.327 -0.020 18087 2313 1 5 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.575 0.049 18087 2314 1 5 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.550 1.227 18087 2315 1 5 . 1 1 55 55 ASP H H 55 8.157 8.157 7.829 0.328 18087 2316 1 5 . 1 1 56 56 LYS N N 56 115.672 115.672 119.932 -4.260 18087 2317 1 5 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.023 -0.135 18087 2318 1 5 . 1 1 56 56 LYS C C 56 179.372 179.372 179.267 0.105 18087 2319 1 5 . 1 1 56 56 LYS CA C 56 59.608 59.608 59.625 -0.017 18087 2320 1 5 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.638 -0.260 18087 2321 1 5 . 1 1 56 56 LYS H H 56 8.348 8.348 7.724 0.624 18087 2322 1 5 . 1 1 57 57 VAL N N 57 118.238 118.238 119.711 -1.473 18087 2323 1 5 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.711 0.018 18087 2324 1 5 . 1 1 57 57 VAL C C 57 177.541 177.541 178.217 -0.676 18087 2325 1 5 . 1 1 57 57 VAL CA C 57 65.702 65.702 65.818 -0.116 18087 2326 1 5 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.341 0.577 18087 2327 1 5 . 1 1 57 57 VAL H H 57 7.003 7.003 8.592 -1.589 18087 2328 1 5 . 1 1 58 58 MET N N 58 115.998 115.998 118.349 -2.351 18087 2329 1 5 . 1 1 58 58 MET HA H 58 4.313 4.313 4.088 0.225 18087 2330 1 5 . 1 1 58 58 MET C C 58 179.857 179.857 177.493 2.364 18087 2331 1 5 . 1 1 58 58 MET CA C 58 56.717 56.717 58.883 -2.166 18087 2332 1 5 . 1 1 58 58 MET CB C 58 32.366 32.366 32.124 0.242 18087 2333 1 5 . 1 1 58 58 MET H H 58 7.836 7.836 8.841 -1.005 18087 2334 1 5 . 1 1 59 59 LYS N N 59 119.682 119.682 121.742 -2.060 18087 2335 1 5 . 1 1 59 59 LYS HA H 59 4.088 4.088 4.269 -0.181 18087 2336 1 5 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.277 0.165 18087 2337 1 5 . 1 1 59 59 LYS CB C 59 32.504 32.504 31.524 0.980 18087 2338 1 5 . 1 1 59 59 LYS H H 59 8.619 8.619 8.249 0.370 18087 2339 1 5 . 1 1 60 60 GLU N N 60 119.917 119.917 119.953 -0.036 18087 2340 1 5 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.009 -0.073 18087 2341 1 5 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.649 -0.409 18087 2342 1 5 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.419 0.669 18087 2343 1 5 . 1 1 60 60 GLU H H 60 7.721 7.721 7.750 -0.029 18087 2344 1 5 . 1 1 61 61 LEU N N 61 116.614 116.614 120.174 -3.560 18087 2345 1 5 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.010 0.013 18087 2346 1 5 . 1 1 61 61 LEU C C 61 175.845 175.845 179.458 -3.613 18087 2347 1 5 . 1 1 61 61 LEU CA C 61 56.515 56.515 57.976 -1.461 18087 2348 1 5 . 1 1 61 61 LEU CB C 61 41.218 41.218 41.422 -0.204 18087 2349 1 5 . 1 1 61 61 LEU H H 61 7.429 7.429 7.496 -0.067 18087 2350 1 5 . 1 1 62 62 ASP N N 62 116.147 116.147 120.730 -4.583 18087 2351 1 5 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.401 0.122 18087 2352 1 5 . 1 1 62 62 ASP C C 62 177.790 177.790 178.667 -0.877 18087 2353 1 5 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.146 -1.720 18087 2354 1 5 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.118 1.762 18087 2355 1 5 . 1 1 62 62 ASP H H 62 7.423 7.423 8.708 -1.285 18087 2356 1 5 . 1 1 63 63 GLU N N 63 119.660 119.660 118.610 1.050 18087 2357 1 5 . 1 1 63 63 GLU HA H 63 4.136 4.136 4.146 -0.010 18087 2358 1 5 . 1 1 63 63 GLU CA C 63 57.377 57.377 58.228 -0.851 18087 2359 1 5 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.771 0.218 18087 2360 1 5 . 1 1 63 63 GLU H H 63 7.837 7.837 8.589 -0.752 18087 2361 1 5 . 1 1 64 64 ASN N N 64 118.376 118.376 117.556 0.820 18087 2362 1 5 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.653 0.209 18087 2363 1 5 . 1 1 64 64 ASN C C 64 176.216 176.216 177.528 -1.312 18087 2364 1 5 . 1 1 64 64 ASN CA C 64 52.688 52.688 54.353 -1.665 18087 2365 1 5 . 1 1 64 64 ASN CB C 64 38.185 38.185 38.737 -0.552 18087 2366 1 5 . 1 1 64 64 ASN H H 64 8.012 8.012 8.916 -0.904 18087 2367 1 5 . 1 1 65 65 GLY N N 65 107.248 107.248 106.080 1.168 18087 2368 1 5 . 1 1 65 65 GLY C C 65 173.971 173.971 174.676 -0.705 18087 2369 1 5 . 1 1 65 65 GLY CA C 65 47.136 47.136 45.157 1.979 18087 2370 1 5 . 1 1 65 65 GLY H H 65 7.989 7.989 8.070 -0.081 18087 2371 1 5 . 1 1 66 66 ASP N N 66 116.989 116.989 120.836 -3.847 18087 2372 1 5 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.465 0.323 18087 2373 1 5 . 1 1 66 66 ASP C C 66 177.289 177.289 176.971 0.318 18087 2374 1 5 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.208 -2.042 18087 2375 1 5 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.210 -0.223 18087 2376 1 5 . 1 1 66 66 ASP H H 66 8.233 8.233 7.966 0.267 18087 2377 1 5 . 1 1 67 67 GLY N N 67 108.642 108.642 106.941 1.701 18087 2378 1 5 . 1 1 67 67 GLY C C 67 172.757 172.757 173.734 -0.977 18087 2379 1 5 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.676 -0.460 18087 2380 1 5 . 1 1 67 67 GLY H H 67 8.274 8.274 7.609 0.665 18087 2381 1 5 . 1 1 68 68 GLU N N 68 118.614 118.614 118.334 0.280 18087 2382 1 5 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.705 0.250 18087 2383 1 5 . 1 1 68 68 GLU C C 68 175.881 175.881 174.521 1.360 18087 2384 1 5 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.440 -0.075 18087 2385 1 5 . 1 1 68 68 GLU CB C 68 33.488 33.488 33.844 -0.356 18087 2386 1 5 . 1 1 68 68 GLU H H 68 8.404 8.404 8.105 0.299 18087 2387 1 5 . 1 1 69 69 VAL N N 69 117.572 117.572 121.428 -3.856 18087 2388 1 5 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.875 -0.110 18087 2389 1 5 . 1 1 69 69 VAL C C 69 174.820 174.820 173.961 0.859 18087 2390 1 5 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.517 0.435 18087 2391 1 5 . 1 1 69 69 VAL CB C 69 34.352 34.352 35.095 -0.743 18087 2392 1 5 . 1 1 69 69 VAL H H 69 9.167 9.167 9.179 -0.012 18087 2393 1 5 . 1 1 70 70 ASP N N 70 122.616 122.616 127.651 -5.035 18087 2394 1 5 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.128 0.086 18087 2395 1 5 . 1 1 70 70 ASP C C 70 175.822 175.822 176.297 -0.475 18087 2396 1 5 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.721 -1.345 18087 2397 1 5 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.453 -1.261 18087 2398 1 5 . 1 1 70 70 ASP H H 70 8.292 8.292 8.198 0.094 18087 2399 1 5 . 1 1 71 71 PHE N N 71 119.243 119.243 119.336 -0.093 18087 2400 1 5 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.369 -0.618 18087 2401 1 5 . 1 1 71 71 PHE C C 71 176.387 176.387 176.914 -0.527 18087 2402 1 5 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.577 1.388 18087 2403 1 5 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.018 0.123 18087 2404 1 5 . 1 1 71 71 PHE H H 71 8.889 8.889 8.743 0.146 18087 2405 1 5 . 1 1 72 72 GLN N N 72 116.655 116.655 117.495 -0.840 18087 2406 1 5 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.711 -0.003 18087 2407 1 5 . 1 1 72 72 GLN C C 72 177.102 177.102 178.430 -1.328 18087 2408 1 5 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.138 0.137 18087 2409 1 5 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.562 -0.395 18087 2410 1 5 . 1 1 72 72 GLN H H 72 8.021 8.021 9.152 -1.131 18087 2411 1 5 . 1 1 73 73 GLU N N 73 119.195 119.195 120.214 -1.019 18087 2412 1 5 . 1 1 73 73 GLU HA H 73 4.493 4.493 3.954 0.539 18087 2413 1 5 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.416 -4.237 18087 2414 1 5 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.754 2.060 18087 2415 1 5 . 1 1 73 73 GLU H H 73 8.066 8.066 9.447 -1.381 18087 2416 1 5 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.108 -0.022 18087 2417 1 5 . 1 1 74 74 TYR CA C 74 60.497 60.497 61.003 -0.506 18087 2418 1 5 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.536 -0.710 18087 2419 1 5 . 1 1 75 75 VAL N N 75 120.072 120.072 116.150 3.922 18087 2420 1 5 . 1 1 75 75 VAL HA H 75 2.983 2.983 2.947 0.036 18087 2421 1 5 . 1 1 75 75 VAL C C 75 177.295 177.295 177.256 0.039 18087 2422 1 5 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.797 -0.105 18087 2423 1 5 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.866 -0.248 18087 2424 1 5 . 1 1 75 75 VAL H H 75 8.291 8.291 8.238 0.053 18087 2425 1 5 . 1 1 76 76 VAL N N 76 121.367 121.367 120.739 0.628 18087 2426 1 5 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.603 -0.083 18087 2427 1 5 . 1 1 76 76 VAL C C 76 178.847 178.847 177.354 1.493 18087 2428 1 5 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.548 1.005 18087 2429 1 5 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.511 -0.123 18087 2430 1 5 . 1 1 76 76 VAL H H 76 7.571 7.571 7.431 0.140 18087 2431 1 5 . 1 1 77 77 LEU N N 77 123.054 123.054 121.430 1.624 18087 2432 1 5 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.882 0.247 18087 2433 1 5 . 1 1 77 77 LEU C C 77 179.065 179.065 177.920 1.145 18087 2434 1 5 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.357 0.135 18087 2435 1 5 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.710 -0.414 18087 2436 1 5 . 1 1 77 77 LEU H H 77 7.360 7.360 7.736 -0.376 18087 2437 1 5 . 1 1 78 78 VAL N N 78 119.163 119.163 115.559 3.604 18087 2438 1 5 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.562 -0.289 18087 2439 1 5 . 1 1 78 78 VAL C C 78 180.217 180.217 177.849 2.368 18087 2440 1 5 . 1 1 78 78 VAL CA C 78 67.270 67.270 65.947 1.323 18087 2441 1 5 . 1 1 78 78 VAL CB C 78 31.181 31.181 30.882 0.299 18087 2442 1 5 . 1 1 78 78 VAL H H 78 8.192 8.192 7.656 0.536 18087 2443 1 5 . 1 1 79 79 ALA N N 79 125.884 125.884 123.853 2.031 18087 2444 1 5 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.824 -0.027 18087 2445 1 5 . 1 1 79 79 ALA C C 79 178.708 178.708 178.881 -0.173 18087 2446 1 5 . 1 1 79 79 ALA CA C 79 55.891 55.891 54.928 0.962 18087 2447 1 5 . 1 1 79 79 ALA CB C 79 17.363 17.363 18.017 -0.654 18087 2448 1 5 . 1 1 79 79 ALA H H 79 9.067 9.067 8.660 0.407 18087 2449 1 5 . 1 1 80 80 ALA N N 80 121.108 121.108 121.413 -0.305 18087 2450 1 5 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.952 0.172 18087 2451 1 5 . 1 1 80 80 ALA C C 80 182.175 182.175 179.611 2.564 18087 2452 1 5 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.151 0.272 18087 2453 1 5 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.057 -0.388 18087 2454 1 5 . 1 1 80 80 ALA H H 80 7.776 7.776 8.520 -0.744 18087 2455 1 5 . 1 1 81 81 LEU N N 81 118.519 118.519 118.455 0.064 18087 2456 1 5 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.971 0.147 18087 2457 1 5 . 1 1 81 81 LEU C C 81 177.959 177.959 179.343 -1.384 18087 2458 1 5 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.691 -0.203 18087 2459 1 5 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.636 0.533 18087 2460 1 5 . 1 1 81 81 LEU H H 81 8.097 8.097 7.515 0.582 18087 2461 1 5 . 1 1 82 82 THR N N 82 119.572 119.572 116.614 2.958 18087 2462 1 5 . 1 1 82 82 THR HA H 82 3.777 3.777 3.194 0.583 18087 2463 1 5 . 1 1 82 82 THR C C 82 176.911 176.911 176.555 0.356 18087 2464 1 5 . 1 1 82 82 THR CA C 82 68.058 68.058 66.792 1.266 18087 2465 1 5 . 1 1 82 82 THR CB C 82 67.402 67.402 68.425 -1.023 18087 2466 1 5 . 1 1 82 82 THR H H 82 8.537 8.537 8.186 0.351 18087 2467 1 5 . 1 1 83 83 VAL N N 83 123.805 123.805 121.931 1.874 18087 2468 1 5 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.749 -0.019 18087 2469 1 5 . 1 1 83 83 VAL C C 83 177.787 177.787 177.305 0.482 18087 2470 1 5 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.659 1.735 18087 2471 1 5 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.195 0.496 18087 2472 1 5 . 1 1 83 83 VAL H H 83 8.283 8.283 8.577 -0.294 18087 2473 1 5 . 1 1 84 84 ALA N N 84 121.134 121.134 122.687 -1.553 18087 2474 1 5 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.991 0.245 18087 2475 1 5 . 1 1 84 84 ALA C C 84 180.511 180.511 179.625 0.886 18087 2476 1 5 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.306 -0.131 18087 2477 1 5 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.233 -0.806 18087 2478 1 5 . 1 1 84 84 ALA H H 84 7.466 7.466 7.938 -0.472 18087 2479 1 5 . 1 1 85 85 MET N N 85 121.755 121.755 118.150 3.605 18087 2480 1 5 . 1 1 85 85 MET HA H 85 3.796 3.796 4.153 -0.357 18087 2481 1 5 . 1 1 85 85 MET CA C 85 59.656 59.656 58.949 0.707 18087 2482 1 5 . 1 1 85 85 MET CB C 85 33.653 33.653 33.134 0.519 18087 2483 1 5 . 1 1 85 85 MET H H 85 8.549 8.549 8.456 0.093 18087 2484 1 5 . 1 1 86 86 ASN N N 86 119.410 119.410 119.118 0.292 18087 2485 1 5 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.923 -0.771 18087 2486 1 5 . 1 1 86 86 ASN C C 86 176.834 176.834 177.488 -0.654 18087 2487 1 5 . 1 1 86 86 ASN CA C 86 58.062 58.062 57.207 0.855 18087 2488 1 5 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.580 1.350 18087 2489 1 5 . 1 1 86 86 ASN H H 86 8.615 8.615 9.040 -0.425 18087 2490 1 5 . 1 1 87 87 ASN N N 87 117.077 117.077 119.093 -2.016 18087 2491 1 5 . 1 1 87 87 ASN HA H 87 4.446 4.446 4.575 -0.129 18087 2492 1 5 . 1 1 87 87 ASN C C 87 176.906 176.906 177.114 -0.208 18087 2493 1 5 . 1 1 87 87 ASN CA C 87 55.602 55.602 56.129 -0.527 18087 2494 1 5 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.797 -1.222 18087 2495 1 5 . 1 1 87 87 ASN H H 87 8.286 8.286 8.670 -0.384 18087 2496 1 5 . 1 1 88 88 PHE N N 88 119.698 119.698 120.656 -0.958 18087 2497 1 5 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.188 0.290 18087 2498 1 5 . 1 1 88 88 PHE C C 88 177.057 177.057 176.924 0.133 18087 2499 1 5 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.011 -1.465 18087 2500 1 5 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.610 1.001 18087 2501 1 5 . 1 1 88 88 PHE H H 88 7.909 7.909 7.843 0.066 18087 2502 1 5 . 1 1 89 89 PHE N N 89 116.219 116.219 117.062 -0.843 18087 2503 1 5 . 1 1 89 89 PHE HA H 89 4.210 4.210 3.599 0.611 18087 2504 1 5 . 1 1 89 89 PHE C C 89 177.637 177.637 176.680 0.957 18087 2505 1 5 . 1 1 89 89 PHE CA C 89 58.752 58.752 61.623 -2.871 18087 2506 1 5 . 1 1 89 89 PHE CB C 89 39.781 39.781 37.678 2.103 18087 2507 1 5 . 1 1 89 89 PHE H H 89 8.049 8.049 7.450 0.599 18087 2508 1 5 . 1 1 90 90 TRP N N 90 117.712 117.712 116.791 0.921 18087 2509 1 5 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.365 0.163 18087 2510 1 5 . 1 1 90 90 TRP C C 90 176.741 176.741 177.613 -0.872 18087 2511 1 5 . 1 1 90 90 TRP CA C 90 58.109 58.109 59.047 -0.938 18087 2512 1 5 . 1 1 90 90 TRP CB C 90 29.720 29.720 29.163 0.557 18087 2513 1 5 . 1 1 90 90 TRP H H 90 8.257 8.257 7.616 0.641 18087 2514 1 5 . 1 1 91 91 GLU N N 91 120.493 120.493 115.869 4.624 18087 2515 1 5 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.161 0.267 18087 2516 1 5 . 1 1 91 91 GLU C C 91 176.393 176.393 177.361 -0.968 18087 2517 1 5 . 1 1 91 91 GLU CA C 91 57.193 57.193 57.512 -0.319 18087 2518 1 5 . 1 1 91 91 GLU CB C 91 29.850 29.850 30.042 -0.192 18087 2519 1 5 . 1 1 91 91 GLU H H 91 7.988 7.988 7.736 0.252 18087 2520 1 5 . 1 1 92 92 ASN N N 92 119.006 119.006 119.486 -0.480 18087 2521 1 5 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.231 0.556 18087 2522 1 5 . 1 1 92 92 ASN C C 92 174.284 174.284 173.579 0.705 18087 2523 1 5 . 1 1 92 92 ASN CA C 92 53.198 53.198 54.293 -1.095 18087 2524 1 5 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.014 1.219 18087 2525 1 5 . 1 1 92 92 ASN H H 92 8.203 8.203 7.876 0.327 18087 2526 1 6 . 1 1 2 2 SER N N 2 117.254 117.254 115.949 1.305 18087 2527 1 6 . 1 1 2 2 SER HA H 2 4.737 4.737 4.465 0.272 18087 2528 1 6 . 1 1 2 2 SER C C 2 175.320 175.320 175.649 -0.329 18087 2529 1 6 . 1 1 2 2 SER CA C 2 57.476 57.476 58.007 -0.531 18087 2530 1 6 . 1 1 2 2 SER CB C 2 64.594 64.594 64.349 0.245 18087 2531 1 6 . 1 1 2 2 SER H H 2 8.686 8.686 9.289 -0.603 18087 2532 1 6 . 1 1 3 3 GLU N N 3 124.640 124.640 122.223 2.417 18087 2533 1 6 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.039 0.069 18087 2534 1 6 . 1 1 3 3 GLU C C 3 178.972 178.972 178.594 0.378 18087 2535 1 6 . 1 1 3 3 GLU CA C 3 60.375 60.375 60.431 -0.056 18087 2536 1 6 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.126 0.618 18087 2537 1 6 . 1 1 3 3 GLU H H 3 9.242 9.242 8.952 0.290 18087 2538 1 6 . 1 1 4 4 LEU N N 4 119.682 119.682 118.853 0.829 18087 2539 1 6 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.074 -0.122 18087 2540 1 6 . 1 1 4 4 LEU C C 4 178.027 178.027 179.066 -1.039 18087 2541 1 6 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.483 -0.304 18087 2542 1 6 . 1 1 4 4 LEU CB C 4 42.308 42.308 40.836 1.472 18087 2543 1 6 . 1 1 4 4 LEU H H 4 8.952 8.952 8.417 0.535 18087 2544 1 6 . 1 1 5 5 GLU N N 5 118.542 118.542 118.882 -0.340 18087 2545 1 6 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.007 -0.215 18087 2546 1 6 . 1 1 5 5 GLU C C 5 178.389 178.389 178.951 -0.562 18087 2547 1 6 . 1 1 5 5 GLU CA C 5 60.051 60.051 60.057 -0.006 18087 2548 1 6 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.282 0.701 18087 2549 1 6 . 1 1 5 5 GLU H H 5 7.968 7.968 8.336 -0.368 18087 2550 1 6 . 1 1 6 6 THR N N 6 114.278 114.278 116.802 -2.524 18087 2551 1 6 . 1 1 6 6 THR HA H 6 4.015 4.015 4.070 -0.055 18087 2552 1 6 . 1 1 6 6 THR C C 6 176.990 176.990 177.018 -0.028 18087 2553 1 6 . 1 1 6 6 THR CA C 6 66.450 66.450 66.396 0.054 18087 2554 1 6 . 1 1 6 6 THR CB C 6 68.637 68.637 68.225 0.412 18087 2555 1 6 . 1 1 6 6 THR H H 6 8.177 8.177 8.772 -0.595 18087 2556 1 6 . 1 1 7 7 ALA N N 7 126.659 126.659 126.435 0.224 18087 2557 1 6 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.071 0.092 18087 2558 1 6 . 1 1 7 7 ALA C C 7 179.338 179.338 179.625 -0.287 18087 2559 1 6 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.298 0.517 18087 2560 1 6 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.220 -0.036 18087 2561 1 6 . 1 1 7 7 ALA H H 7 8.166 8.166 9.030 -0.864 18087 2562 1 6 . 1 1 8 8 MET N N 8 117.727 117.727 117.178 0.549 18087 2563 1 6 . 1 1 8 8 MET HA H 8 3.731 3.731 4.298 -0.567 18087 2564 1 6 . 1 1 8 8 MET C C 8 178.071 178.071 178.787 -0.716 18087 2565 1 6 . 1 1 8 8 MET CA C 8 60.447 60.447 57.120 3.327 18087 2566 1 6 . 1 1 8 8 MET CB C 8 34.928 34.928 31.401 3.527 18087 2567 1 6 . 1 1 8 8 MET H H 8 8.090 8.090 8.653 -0.563 18087 2568 1 6 . 1 1 9 9 GLU N N 9 117.303 117.303 121.059 -3.756 18087 2569 1 6 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.892 0.015 18087 2570 1 6 . 1 1 9 9 GLU C C 9 179.261 179.261 178.799 0.462 18087 2571 1 6 . 1 1 9 9 GLU CA C 9 60.030 60.030 60.018 0.012 18087 2572 1 6 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.707 -0.208 18087 2573 1 6 . 1 1 9 9 GLU H H 9 8.603 8.603 9.088 -0.485 18087 2574 1 6 . 1 1 10 10 THR N N 10 117.583 117.583 117.816 -0.233 18087 2575 1 6 . 1 1 10 10 THR HA H 10 4.088 4.088 4.034 0.054 18087 2576 1 6 . 1 1 10 10 THR C C 10 175.758 175.758 176.796 -1.038 18087 2577 1 6 . 1 1 10 10 THR CA C 10 67.439 67.439 67.648 -0.209 18087 2578 1 6 . 1 1 10 10 THR CB C 10 68.014 68.014 68.578 -0.564 18087 2579 1 6 . 1 1 10 10 THR H H 10 8.483 8.483 8.792 -0.309 18087 2580 1 6 . 1 1 11 11 LEU N N 11 119.623 119.623 122.012 -2.389 18087 2581 1 6 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.288 -0.318 18087 2582 1 6 . 1 1 11 11 LEU C C 11 178.935 178.935 179.209 -0.274 18087 2583 1 6 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.417 0.758 18087 2584 1 6 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.662 0.199 18087 2585 1 6 . 1 1 11 11 LEU H H 11 8.013 8.013 7.907 0.106 18087 2586 1 6 . 1 1 12 12 ILE N N 12 119.751 119.751 120.466 -0.715 18087 2587 1 6 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.432 0.561 18087 2588 1 6 . 1 1 12 12 ILE C C 12 177.717 177.717 178.155 -0.438 18087 2589 1 6 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.266 1.482 18087 2590 1 6 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.387 2.879 18087 2591 1 6 . 1 1 12 12 ILE H H 12 7.708 7.708 8.574 -0.866 18087 2592 1 6 . 1 1 13 13 ASN N N 13 121.260 121.260 119.211 2.049 18087 2593 1 6 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.572 -0.004 18087 2594 1 6 . 1 1 13 13 ASN C C 13 178.941 178.941 178.282 0.659 18087 2595 1 6 . 1 1 13 13 ASN CA C 13 56.339 56.339 56.424 -0.085 18087 2596 1 6 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.198 -0.104 18087 2597 1 6 . 1 1 13 13 ASN H H 13 9.125 9.125 8.877 0.248 18087 2598 1 6 . 1 1 14 14 VAL N N 14 120.868 120.868 120.374 0.494 18087 2599 1 6 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.777 0.090 18087 2600 1 6 . 1 1 14 14 VAL C C 14 177.827 177.827 177.864 -0.037 18087 2601 1 6 . 1 1 14 14 VAL CA C 14 66.715 66.715 66.421 0.294 18087 2602 1 6 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.369 0.533 18087 2603 1 6 . 1 1 14 14 VAL H H 14 8.965 8.965 8.267 0.698 18087 2604 1 6 . 1 1 15 15 PHE N N 15 117.672 117.672 122.157 -4.485 18087 2605 1 6 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.865 -0.419 18087 2606 1 6 . 1 1 15 15 PHE C C 15 177.713 177.713 177.252 0.461 18087 2607 1 6 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.072 0.369 18087 2608 1 6 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.177 0.004 18087 2609 1 6 . 1 1 15 15 PHE H H 15 6.968 6.968 9.069 -2.101 18087 2610 1 6 . 1 1 16 16 HIS N N 16 115.122 115.122 117.788 -2.666 18087 2611 1 6 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.292 0.077 18087 2612 1 6 . 1 1 16 16 HIS C C 16 176.987 176.987 177.624 -0.637 18087 2613 1 6 . 1 1 16 16 HIS CA C 16 58.413 58.413 59.251 -0.838 18087 2614 1 6 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.333 -1.073 18087 2615 1 6 . 1 1 16 16 HIS H H 16 8.020 8.020 8.858 -0.838 18087 2616 1 6 . 1 1 17 17 ALA N N 17 122.533 122.533 122.310 0.223 18087 2617 1 6 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.926 0.191 18087 2618 1 6 . 1 1 17 17 ALA CA C 17 54.064 54.064 54.952 -0.888 18087 2619 1 6 . 1 1 17 17 ALA CB C 17 17.908 17.908 17.901 0.007 18087 2620 1 6 . 1 1 17 17 ALA H H 17 8.282 8.282 7.773 0.509 18087 2621 1 6 . 1 1 18 18 HIS N N 18 113.127 113.127 115.499 -2.372 18087 2622 1 6 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.345 0.063 18087 2623 1 6 . 1 1 18 18 HIS CA C 18 57.248 57.248 58.628 -1.380 18087 2624 1 6 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.623 1.639 18087 2625 1 6 . 1 1 18 18 HIS H H 18 7.124 7.124 7.662 -0.538 18087 2626 1 6 . 1 1 19 19 SER HA H 19 3.963 3.963 4.241 -0.278 18087 2627 1 6 . 1 1 19 19 SER CA C 19 59.969 59.969 62.133 -2.164 18087 2628 1 6 . 1 1 19 19 SER CB C 19 62.416 62.416 62.502 -0.086 18087 2629 1 6 . 1 1 20 20 GLY N N 20 107.243 107.243 109.609 -2.366 18087 2630 1 6 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.817 -0.703 18087 2631 1 6 . 1 1 20 20 GLY H H 20 7.915 7.915 8.469 -0.554 18087 2632 1 6 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.162 -0.205 18087 2633 1 6 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.105 -0.060 18087 2634 1 6 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.630 -0.693 18087 2635 1 6 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.425 -0.383 18087 2636 1 6 . 1 1 22 22 GLU CA C 22 58.755 58.755 55.981 2.774 18087 2637 1 6 . 1 1 22 22 GLU CB C 22 30.184 30.184 32.366 -2.182 18087 2638 1 6 . 1 1 23 23 GLY N N 23 111.113 111.113 110.466 0.647 18087 2639 1 6 . 1 1 23 23 GLY CA C 23 46.790 46.790 45.824 0.966 18087 2640 1 6 . 1 1 23 23 GLY H H 23 8.435 8.435 8.539 -0.104 18087 2641 1 6 . 1 1 24 24 ASP N N 24 123.994 123.994 122.628 1.366 18087 2642 1 6 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.247 0.249 18087 2643 1 6 . 1 1 24 24 ASP CA C 24 54.286 54.286 56.628 -2.342 18087 2644 1 6 . 1 1 24 24 ASP CB C 24 42.002 42.002 40.365 1.637 18087 2645 1 6 . 1 1 24 24 ASP H H 24 8.501 8.501 8.565 -0.064 18087 2646 1 6 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.257 0.185 18087 2647 1 6 . 1 1 25 25 LYS CA C 25 56.523 56.523 56.388 0.135 18087 2648 1 6 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.477 0.794 18087 2649 1 6 . 1 1 26 26 TYR N N 26 119.967 119.967 121.436 -1.469 18087 2650 1 6 . 1 1 26 26 TYR HA H 26 4.792 4.792 5.084 -0.292 18087 2651 1 6 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.160 0.859 18087 2652 1 6 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.654 -0.223 18087 2653 1 6 . 1 1 26 26 TYR H H 26 8.712 8.712 7.749 0.963 18087 2654 1 6 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.967 0.332 18087 2655 1 6 . 1 1 27 27 LYS C C 27 174.308 174.308 174.187 0.121 18087 2656 1 6 . 1 1 27 27 LYS CA C 27 54.365 54.365 54.451 -0.086 18087 2657 1 6 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.702 -0.308 18087 2658 1 6 . 1 1 28 28 LEU N N 28 121.194 121.194 123.992 -2.798 18087 2659 1 6 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.619 0.101 18087 2660 1 6 . 1 1 28 28 LEU C C 28 178.895 178.895 174.344 4.551 18087 2661 1 6 . 1 1 28 28 LEU CA C 28 52.968 52.968 54.194 -1.226 18087 2662 1 6 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.352 0.859 18087 2663 1 6 . 1 1 28 28 LEU H H 28 8.632 8.632 8.860 -0.228 18087 2664 1 6 . 1 1 29 29 SER N N 29 119.705 119.705 122.979 -3.274 18087 2665 1 6 . 1 1 29 29 SER HA H 29 4.987 4.987 5.146 -0.159 18087 2666 1 6 . 1 1 29 29 SER C C 29 175.742 175.742 175.498 0.244 18087 2667 1 6 . 1 1 29 29 SER CA C 29 57.873 57.873 57.790 0.083 18087 2668 1 6 . 1 1 29 29 SER CB C 29 64.531 64.531 64.659 -0.128 18087 2669 1 6 . 1 1 29 29 SER H H 29 8.901 8.901 9.871 -0.970 18087 2670 1 6 . 1 1 30 30 LYS N N 30 124.208 124.208 123.336 0.872 18087 2671 1 6 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.067 -0.253 18087 2672 1 6 . 1 1 30 30 LYS C C 30 178.469 178.469 178.608 -0.139 18087 2673 1 6 . 1 1 30 30 LYS CA C 30 61.433 61.433 58.295 3.138 18087 2674 1 6 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.746 0.523 18087 2675 1 6 . 1 1 30 30 LYS H H 30 8.836 8.836 8.895 -0.059 18087 2676 1 6 . 1 1 31 31 LYS N N 31 119.570 119.570 119.634 -0.064 18087 2677 1 6 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.077 -0.031 18087 2678 1 6 . 1 1 31 31 LYS C C 31 179.409 179.409 178.200 1.209 18087 2679 1 6 . 1 1 31 31 LYS CA C 31 59.223 59.223 59.750 -0.527 18087 2680 1 6 . 1 1 31 31 LYS CB C 31 32.386 32.386 31.899 0.487 18087 2681 1 6 . 1 1 31 31 LYS H H 31 8.597 8.597 8.064 0.533 18087 2682 1 6 . 1 1 32 32 GLU N N 32 119.551 119.551 120.140 -0.589 18087 2683 1 6 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.064 -0.018 18087 2684 1 6 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.583 0.415 18087 2685 1 6 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.077 -0.607 18087 2686 1 6 . 1 1 32 32 GLU H H 32 7.442 7.442 7.907 -0.465 18087 2687 1 6 . 1 1 33 33 LEU N N 33 121.725 121.725 120.911 0.814 18087 2688 1 6 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.932 0.136 18087 2689 1 6 . 1 1 33 33 LEU C C 33 177.279 177.279 177.520 -0.241 18087 2690 1 6 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.414 -1.018 18087 2691 1 6 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.361 -0.776 18087 2692 1 6 . 1 1 33 33 LEU H H 33 8.579 8.579 8.823 -0.244 18087 2693 1 6 . 1 1 34 34 LYS N N 34 120.543 120.543 117.986 2.557 18087 2694 1 6 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.967 -0.331 18087 2695 1 6 . 1 1 34 34 LYS C C 34 177.868 177.868 178.799 -0.931 18087 2696 1 6 . 1 1 34 34 LYS CA C 34 60.704 60.704 59.727 0.977 18087 2697 1 6 . 1 1 34 34 LYS CB C 34 31.870 31.870 31.751 0.119 18087 2698 1 6 . 1 1 34 34 LYS H H 34 8.618 8.618 7.520 1.098 18087 2699 1 6 . 1 1 35 35 GLU N N 35 117.340 117.340 120.628 -3.288 18087 2700 1 6 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.046 -0.039 18087 2701 1 6 . 1 1 35 35 GLU C C 35 179.008 179.008 179.462 -0.454 18087 2702 1 6 . 1 1 35 35 GLU CA C 35 59.366 59.366 59.087 0.279 18087 2703 1 6 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.661 -0.466 18087 2704 1 6 . 1 1 35 35 GLU H H 35 7.713 7.713 7.507 0.206 18087 2705 1 6 . 1 1 36 36 LEU N N 36 122.745 122.745 123.113 -0.368 18087 2706 1 6 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.035 -0.022 18087 2707 1 6 . 1 1 36 36 LEU C C 36 178.646 178.646 178.206 0.440 18087 2708 1 6 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.263 0.113 18087 2709 1 6 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.190 0.698 18087 2710 1 6 . 1 1 36 36 LEU H H 36 8.150 8.150 8.595 -0.445 18087 2711 1 6 . 1 1 37 37 LEU N N 37 118.881 118.881 119.778 -0.897 18087 2712 1 6 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.060 -0.312 18087 2713 1 6 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.676 -0.315 18087 2714 1 6 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.278 0.135 18087 2715 1 6 . 1 1 37 37 LEU H H 37 8.495 8.495 8.812 -0.317 18087 2716 1 6 . 1 1 38 38 GLN N N 38 115.311 115.311 117.172 -1.861 18087 2717 1 6 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.047 -0.258 18087 2718 1 6 . 1 1 38 38 GLN C C 38 177.826 177.826 178.127 -0.301 18087 2719 1 6 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.760 0.100 18087 2720 1 6 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.106 0.215 18087 2721 1 6 . 1 1 38 38 GLN H H 38 8.348 8.348 8.119 0.229 18087 2722 1 6 . 1 1 39 39 THR N N 39 112.151 112.151 116.450 -4.299 18087 2723 1 6 . 1 1 39 39 THR HA H 39 4.186 4.186 4.032 0.154 18087 2724 1 6 . 1 1 39 39 THR C C 39 177.166 177.166 177.153 0.013 18087 2725 1 6 . 1 1 39 39 THR CA C 39 65.284 65.284 66.258 -0.974 18087 2726 1 6 . 1 1 39 39 THR CB C 39 69.179 69.179 68.467 0.712 18087 2727 1 6 . 1 1 39 39 THR H H 39 7.872 7.872 8.421 -0.549 18087 2728 1 6 . 1 1 40 40 GLU N N 40 119.602 119.602 119.831 -0.229 18087 2729 1 6 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.312 0.054 18087 2730 1 6 . 1 1 40 40 GLU C C 40 178.228 178.228 178.574 -0.346 18087 2731 1 6 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.133 0.490 18087 2732 1 6 . 1 1 40 40 GLU CB C 40 30.934 30.934 30.021 0.913 18087 2733 1 6 . 1 1 40 40 GLU H H 40 8.713 8.713 8.556 0.157 18087 2734 1 6 . 1 1 41 41 LEU N N 41 118.018 118.018 121.483 -3.465 18087 2735 1 6 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.705 0.427 18087 2736 1 6 . 1 1 41 41 LEU C C 41 176.993 176.993 177.104 -0.111 18087 2737 1 6 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.599 -0.780 18087 2738 1 6 . 1 1 41 41 LEU CB C 41 41.962 41.962 40.728 1.234 18087 2739 1 6 . 1 1 41 41 LEU H H 41 8.243 8.243 8.164 0.079 18087 2740 1 6 . 1 1 42 42 SER N N 42 114.483 114.483 117.397 -2.914 18087 2741 1 6 . 1 1 42 42 SER HA H 42 3.950 3.950 4.295 -0.345 18087 2742 1 6 . 1 1 42 42 SER C C 42 176.651 176.651 176.780 -0.129 18087 2743 1 6 . 1 1 42 42 SER CA C 42 62.225 62.225 62.353 -0.128 18087 2744 1 6 . 1 1 42 42 SER CB C 42 62.675 62.675 62.795 -0.120 18087 2745 1 6 . 1 1 42 42 SER H H 42 7.019 7.019 7.656 -0.637 18087 2746 1 6 . 1 1 43 43 GLY N N 43 109.381 109.381 108.928 0.453 18087 2747 1 6 . 1 1 43 43 GLY C C 43 176.476 176.476 175.815 0.661 18087 2748 1 6 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.793 0.226 18087 2749 1 6 . 1 1 43 43 GLY H H 43 8.666 8.666 8.830 -0.164 18087 2750 1 6 . 1 1 44 44 PHE N N 44 124.390 124.390 120.352 4.038 18087 2751 1 6 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.421 -0.094 18087 2752 1 6 . 1 1 44 44 PHE C C 44 176.516 176.516 177.361 -0.845 18087 2753 1 6 . 1 1 44 44 PHE CA C 44 60.094 60.094 59.548 0.546 18087 2754 1 6 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.699 0.525 18087 2755 1 6 . 1 1 44 44 PHE H H 44 8.226 8.226 7.474 0.752 18087 2756 1 6 . 1 1 45 45 LEU N N 45 117.156 117.156 121.595 -4.439 18087 2757 1 6 . 1 1 45 45 LEU HA H 45 3.418 3.418 3.942 -0.524 18087 2758 1 6 . 1 1 45 45 LEU C C 45 179.673 179.673 178.113 1.560 18087 2759 1 6 . 1 1 45 45 LEU CA C 45 57.522 57.522 58.090 -0.568 18087 2760 1 6 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.636 -1.022 18087 2761 1 6 . 1 1 45 45 LEU H H 45 8.627 8.627 9.061 -0.434 18087 2762 1 6 . 1 1 46 46 ASP N N 46 117.663 117.663 118.896 -1.233 18087 2763 1 6 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.254 0.091 18087 2764 1 6 . 1 1 46 46 ASP C C 46 177.844 177.844 178.162 -0.318 18087 2765 1 6 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.562 -0.778 18087 2766 1 6 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.761 0.368 18087 2767 1 6 . 1 1 46 46 ASP H H 46 7.933 7.933 8.319 -0.386 18087 2768 1 6 . 1 1 47 47 ALA N N 47 119.795 119.795 120.683 -0.888 18087 2769 1 6 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.094 0.109 18087 2770 1 6 . 1 1 47 47 ALA C C 47 179.300 179.300 180.252 -0.952 18087 2771 1 6 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.583 -1.221 18087 2772 1 6 . 1 1 47 47 ALA CB C 47 19.011 19.011 18.553 0.458 18087 2773 1 6 . 1 1 47 47 ALA H H 47 7.380 7.380 7.379 0.001 18087 2774 1 6 . 1 1 48 48 GLN N N 48 115.955 115.955 117.501 -1.546 18087 2775 1 6 . 1 1 48 48 GLN HA H 48 4.270 4.270 3.991 0.279 18087 2776 1 6 . 1 1 48 48 GLN C C 48 175.355 175.355 178.765 -3.410 18087 2777 1 6 . 1 1 48 48 GLN CA C 48 54.026 54.026 57.762 -3.736 18087 2778 1 6 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.752 0.808 18087 2779 1 6 . 1 1 48 48 GLN H H 48 7.369 7.369 8.345 -0.976 18087 2780 1 6 . 1 1 49 49 LYS N N 49 119.402 119.402 118.660 0.742 18087 2781 1 6 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.047 -0.031 18087 2782 1 6 . 1 1 49 49 LYS C C 49 176.255 176.255 177.594 -1.339 18087 2783 1 6 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.256 -1.072 18087 2784 1 6 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.153 -0.050 18087 2785 1 6 . 1 1 49 49 LYS H H 49 7.152 7.152 7.766 -0.614 18087 2786 1 6 . 1 1 50 50 ASP N N 50 117.172 117.172 116.670 0.502 18087 2787 1 6 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.657 -0.062 18087 2788 1 6 . 1 1 50 50 ASP C C 50 175.916 175.916 175.568 0.348 18087 2789 1 6 . 1 1 50 50 ASP CA C 50 54.217 54.217 53.388 0.829 18087 2790 1 6 . 1 1 50 50 ASP CB C 50 40.309 40.309 41.399 -1.090 18087 2791 1 6 . 1 1 50 50 ASP H H 50 8.338 8.338 7.684 0.654 18087 2792 1 6 . 1 1 51 51 VAL N N 51 121.648 121.648 120.226 1.422 18087 2793 1 6 . 1 1 51 51 VAL HA H 51 3.997 3.997 4.113 -0.116 18087 2794 1 6 . 1 1 51 51 VAL C C 51 177.128 177.128 175.620 1.508 18087 2795 1 6 . 1 1 51 51 VAL CA C 51 62.404 62.404 61.187 1.217 18087 2796 1 6 . 1 1 51 51 VAL CB C 51 31.921 31.921 33.730 -1.809 18087 2797 1 6 . 1 1 51 51 VAL H H 51 7.604 7.604 7.665 -0.061 18087 2798 1 6 . 1 1 52 52 ASP N N 52 129.202 129.202 127.973 1.229 18087 2799 1 6 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.266 0.007 18087 2800 1 6 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.141 1.042 18087 2801 1 6 . 1 1 52 52 ASP CB C 52 40.935 40.935 41.055 -0.120 18087 2802 1 6 . 1 1 52 52 ASP H H 52 8.702 8.702 8.934 -0.232 18087 2803 1 6 . 1 1 53 53 ALA N N 53 118.401 118.401 122.933 -4.532 18087 2804 1 6 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.087 -0.075 18087 2805 1 6 . 1 1 53 53 ALA C C 53 179.448 179.448 179.570 -0.122 18087 2806 1 6 . 1 1 53 53 ALA CA C 53 55.053 55.053 54.880 0.173 18087 2807 1 6 . 1 1 53 53 ALA CB C 53 19.364 19.364 17.892 1.472 18087 2808 1 6 . 1 1 53 53 ALA H H 53 8.478 8.478 8.349 0.129 18087 2809 1 6 . 1 1 54 54 VAL N N 54 115.050 115.050 117.537 -2.487 18087 2810 1 6 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.662 -0.120 18087 2811 1 6 . 1 1 54 54 VAL C C 54 177.000 177.000 177.001 -0.001 18087 2812 1 6 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.120 -0.900 18087 2813 1 6 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.204 0.855 18087 2814 1 6 . 1 1 54 54 VAL H H 54 6.988 6.988 7.942 -0.954 18087 2815 1 6 . 1 1 55 55 ASP N N 55 120.834 120.834 119.943 0.891 18087 2816 1 6 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.278 -0.000 18087 2817 1 6 . 1 1 55 55 ASP C C 55 178.307 178.307 178.554 -0.247 18087 2818 1 6 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.721 -0.098 18087 2819 1 6 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.741 1.036 18087 2820 1 6 . 1 1 55 55 ASP H H 55 8.157 8.157 7.766 0.391 18087 2821 1 6 . 1 1 56 56 LYS N N 56 115.672 115.672 119.204 -3.532 18087 2822 1 6 . 1 1 56 56 LYS HA H 56 3.888 3.888 3.975 -0.087 18087 2823 1 6 . 1 1 56 56 LYS C C 56 179.372 179.372 179.005 0.367 18087 2824 1 6 . 1 1 56 56 LYS CA C 56 59.608 59.608 59.509 0.099 18087 2825 1 6 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.501 -0.123 18087 2826 1 6 . 1 1 56 56 LYS H H 56 8.348 8.348 7.473 0.875 18087 2827 1 6 . 1 1 57 57 VAL N N 57 118.238 118.238 120.850 -2.612 18087 2828 1 6 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.647 0.082 18087 2829 1 6 . 1 1 57 57 VAL C C 57 177.541 177.541 178.069 -0.528 18087 2830 1 6 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.115 -0.413 18087 2831 1 6 . 1 1 57 57 VAL CB C 57 31.918 31.918 30.962 0.956 18087 2832 1 6 . 1 1 57 57 VAL H H 57 7.003 7.003 8.404 -1.401 18087 2833 1 6 . 1 1 58 58 MET N N 58 115.998 115.998 118.310 -2.312 18087 2834 1 6 . 1 1 58 58 MET HA H 58 4.313 4.313 4.000 0.313 18087 2835 1 6 . 1 1 58 58 MET C C 58 179.857 179.857 178.404 1.453 18087 2836 1 6 . 1 1 58 58 MET CA C 58 56.717 56.717 59.688 -2.971 18087 2837 1 6 . 1 1 58 58 MET CB C 58 32.366 32.366 31.738 0.628 18087 2838 1 6 . 1 1 58 58 MET H H 58 7.836 7.836 8.783 -0.947 18087 2839 1 6 . 1 1 59 59 LYS N N 59 119.682 119.682 120.224 -0.542 18087 2840 1 6 . 1 1 59 59 LYS HA H 59 4.088 4.088 3.998 0.090 18087 2841 1 6 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.279 0.163 18087 2842 1 6 . 1 1 59 59 LYS CB C 59 32.504 32.504 31.872 0.632 18087 2843 1 6 . 1 1 59 59 LYS H H 59 8.619 8.619 7.759 0.860 18087 2844 1 6 . 1 1 60 60 GLU N N 60 119.917 119.917 119.229 0.688 18087 2845 1 6 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.075 -0.139 18087 2846 1 6 . 1 1 60 60 GLU CA C 60 59.240 59.240 58.987 0.253 18087 2847 1 6 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.465 0.624 18087 2848 1 6 . 1 1 60 60 GLU H H 60 7.721 7.721 8.030 -0.309 18087 2849 1 6 . 1 1 61 61 LEU N N 61 116.614 116.614 119.831 -3.217 18087 2850 1 6 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.094 -0.071 18087 2851 1 6 . 1 1 61 61 LEU C C 61 175.845 175.845 179.221 -3.376 18087 2852 1 6 . 1 1 61 61 LEU CA C 61 56.515 56.515 57.635 -1.120 18087 2853 1 6 . 1 1 61 61 LEU CB C 61 41.218 41.218 41.166 0.052 18087 2854 1 6 . 1 1 61 61 LEU H H 61 7.429 7.429 8.209 -0.780 18087 2855 1 6 . 1 1 62 62 ASP N N 62 116.147 116.147 118.876 -2.729 18087 2856 1 6 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.325 0.198 18087 2857 1 6 . 1 1 62 62 ASP C C 62 177.790 177.790 178.445 -0.655 18087 2858 1 6 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.119 -1.693 18087 2859 1 6 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.937 0.943 18087 2860 1 6 . 1 1 62 62 ASP H H 62 7.423 7.423 8.405 -0.982 18087 2861 1 6 . 1 1 63 63 GLU N N 63 119.660 119.660 118.733 0.927 18087 2862 1 6 . 1 1 63 63 GLU HA H 63 4.136 4.136 3.966 0.170 18087 2863 1 6 . 1 1 63 63 GLU CA C 63 57.377 57.377 58.794 -1.417 18087 2864 1 6 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.268 0.721 18087 2865 1 6 . 1 1 63 63 GLU H H 63 7.837 7.837 7.708 0.129 18087 2866 1 6 . 1 1 64 64 ASN N N 64 118.376 118.376 117.004 1.372 18087 2867 1 6 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.669 0.193 18087 2868 1 6 . 1 1 64 64 ASN C C 64 176.216 176.216 177.778 -1.562 18087 2869 1 6 . 1 1 64 64 ASN CA C 64 52.688 52.688 54.393 -1.705 18087 2870 1 6 . 1 1 64 64 ASN CB C 64 38.185 38.185 39.107 -0.922 18087 2871 1 6 . 1 1 64 64 ASN H H 64 8.012 8.012 8.073 -0.061 18087 2872 1 6 . 1 1 65 65 GLY N N 65 107.248 107.248 107.986 -0.738 18087 2873 1 6 . 1 1 65 65 GLY C C 65 173.971 173.971 174.114 -0.143 18087 2874 1 6 . 1 1 65 65 GLY CA C 65 47.136 47.136 45.061 2.075 18087 2875 1 6 . 1 1 65 65 GLY H H 65 7.989 7.989 8.420 -0.431 18087 2876 1 6 . 1 1 66 66 ASP N N 66 116.989 116.989 121.980 -4.991 18087 2877 1 6 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.407 0.381 18087 2878 1 6 . 1 1 66 66 ASP C C 66 177.289 177.289 176.768 0.521 18087 2879 1 6 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.841 -2.675 18087 2880 1 6 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.209 -0.223 18087 2881 1 6 . 1 1 66 66 ASP H H 66 8.233 8.233 8.724 -0.491 18087 2882 1 6 . 1 1 67 67 GLY N N 67 108.642 108.642 105.523 3.119 18087 2883 1 6 . 1 1 67 67 GLY C C 67 172.757 172.757 172.917 -0.160 18087 2884 1 6 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.465 -0.249 18087 2885 1 6 . 1 1 67 67 GLY H H 67 8.274 8.274 7.915 0.359 18087 2886 1 6 . 1 1 68 68 GLU N N 68 118.614 118.614 120.488 -1.874 18087 2887 1 6 . 1 1 68 68 GLU HA H 68 4.955 4.955 5.264 -0.309 18087 2888 1 6 . 1 1 68 68 GLU C C 68 175.881 175.881 174.875 1.006 18087 2889 1 6 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.047 0.318 18087 2890 1 6 . 1 1 68 68 GLU CB C 68 33.488 33.488 33.647 -0.159 18087 2891 1 6 . 1 1 68 68 GLU H H 68 8.404 8.404 8.009 0.395 18087 2892 1 6 . 1 1 69 69 VAL N N 69 117.572 117.572 122.401 -4.829 18087 2893 1 6 . 1 1 69 69 VAL HA H 69 4.765 4.765 5.019 -0.254 18087 2894 1 6 . 1 1 69 69 VAL C C 69 174.820 174.820 173.740 1.080 18087 2895 1 6 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.148 0.803 18087 2896 1 6 . 1 1 69 69 VAL CB C 69 34.352 34.352 35.560 -1.208 18087 2897 1 6 . 1 1 69 69 VAL H H 69 9.167 9.167 9.241 -0.074 18087 2898 1 6 . 1 1 70 70 ASP N N 70 122.616 122.616 127.324 -4.708 18087 2899 1 6 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.195 0.019 18087 2900 1 6 . 1 1 70 70 ASP C C 70 175.822 175.822 176.376 -0.554 18087 2901 1 6 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.947 -1.571 18087 2902 1 6 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.002 -0.810 18087 2903 1 6 . 1 1 70 70 ASP H H 70 8.292 8.292 8.339 -0.047 18087 2904 1 6 . 1 1 71 71 PHE N N 71 119.243 119.243 119.343 -0.100 18087 2905 1 6 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.377 -0.626 18087 2906 1 6 . 1 1 71 71 PHE C C 71 176.387 176.387 177.137 -0.750 18087 2907 1 6 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.625 1.340 18087 2908 1 6 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.106 0.035 18087 2909 1 6 . 1 1 71 71 PHE H H 71 8.889 8.889 8.794 0.095 18087 2910 1 6 . 1 1 72 72 GLN N N 72 116.655 116.655 116.493 0.162 18087 2911 1 6 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.784 -0.076 18087 2912 1 6 . 1 1 72 72 GLN C C 72 177.102 177.102 178.480 -1.378 18087 2913 1 6 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.129 0.146 18087 2914 1 6 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.468 -0.301 18087 2915 1 6 . 1 1 72 72 GLN H H 72 8.021 8.021 9.307 -1.286 18087 2916 1 6 . 1 1 73 73 GLU N N 73 119.195 119.195 119.949 -0.754 18087 2917 1 6 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.023 0.470 18087 2918 1 6 . 1 1 73 73 GLU CA C 73 55.179 55.179 58.882 -3.703 18087 2919 1 6 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.699 2.115 18087 2920 1 6 . 1 1 73 73 GLU H H 73 8.066 8.066 7.787 0.279 18087 2921 1 6 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.122 -0.036 18087 2922 1 6 . 1 1 74 74 TYR CA C 74 60.497 60.497 61.022 -0.525 18087 2923 1 6 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.565 -0.738 18087 2924 1 6 . 1 1 75 75 VAL N N 75 120.072 120.072 115.120 4.952 18087 2925 1 6 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.047 -0.064 18087 2926 1 6 . 1 1 75 75 VAL C C 75 177.295 177.295 177.312 -0.017 18087 2927 1 6 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.974 -0.282 18087 2928 1 6 . 1 1 75 75 VAL CB C 75 30.618 30.618 31.012 -0.394 18087 2929 1 6 . 1 1 75 75 VAL H H 75 8.291 8.291 8.068 0.223 18087 2930 1 6 . 1 1 76 76 VAL N N 76 121.367 121.367 118.070 3.297 18087 2931 1 6 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.540 -0.020 18087 2932 1 6 . 1 1 76 76 VAL C C 76 178.847 178.847 177.639 1.208 18087 2933 1 6 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.413 1.140 18087 2934 1 6 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.226 0.163 18087 2935 1 6 . 1 1 76 76 VAL H H 76 7.571 7.571 7.098 0.473 18087 2936 1 6 . 1 1 77 77 LEU N N 77 123.054 123.054 121.946 1.108 18087 2937 1 6 . 1 1 77 77 LEU HA H 77 4.129 4.129 4.012 0.117 18087 2938 1 6 . 1 1 77 77 LEU C C 77 179.065 179.065 178.473 0.592 18087 2939 1 6 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.116 0.376 18087 2940 1 6 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.489 -0.193 18087 2941 1 6 . 1 1 77 77 LEU H H 77 7.360 7.360 7.807 -0.447 18087 2942 1 6 . 1 1 78 78 VAL N N 78 119.163 119.163 116.751 2.412 18087 2943 1 6 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.733 -0.460 18087 2944 1 6 . 1 1 78 78 VAL C C 78 180.217 180.217 177.953 2.264 18087 2945 1 6 . 1 1 78 78 VAL CA C 78 67.270 67.270 65.091 2.179 18087 2946 1 6 . 1 1 78 78 VAL CB C 78 31.181 31.181 30.032 1.149 18087 2947 1 6 . 1 1 78 78 VAL H H 78 8.192 8.192 7.686 0.506 18087 2948 1 6 . 1 1 79 79 ALA N N 79 125.884 125.884 124.369 1.515 18087 2949 1 6 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.851 -0.054 18087 2950 1 6 . 1 1 79 79 ALA C C 79 178.708 178.708 178.817 -0.109 18087 2951 1 6 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.187 0.704 18087 2952 1 6 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.757 -0.394 18087 2953 1 6 . 1 1 79 79 ALA H H 79 9.067 9.067 8.640 0.427 18087 2954 1 6 . 1 1 80 80 ALA N N 80 121.108 121.108 121.597 -0.489 18087 2955 1 6 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.931 0.193 18087 2956 1 6 . 1 1 80 80 ALA C C 80 182.175 182.175 179.590 2.585 18087 2957 1 6 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.191 0.232 18087 2958 1 6 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.039 -0.370 18087 2959 1 6 . 1 1 80 80 ALA H H 80 7.776 7.776 8.563 -0.787 18087 2960 1 6 . 1 1 81 81 LEU N N 81 118.519 118.519 118.435 0.084 18087 2961 1 6 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.900 0.218 18087 2962 1 6 . 1 1 81 81 LEU C C 81 177.959 177.959 179.321 -1.362 18087 2963 1 6 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.710 -0.221 18087 2964 1 6 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.608 0.561 18087 2965 1 6 . 1 1 81 81 LEU H H 81 8.097 8.097 7.583 0.514 18087 2966 1 6 . 1 1 82 82 THR N N 82 119.572 119.572 116.620 2.952 18087 2967 1 6 . 1 1 82 82 THR HA H 82 3.777 3.777 3.102 0.675 18087 2968 1 6 . 1 1 82 82 THR C C 82 176.911 176.911 176.514 0.397 18087 2969 1 6 . 1 1 82 82 THR CA C 82 68.058 68.058 67.142 0.916 18087 2970 1 6 . 1 1 82 82 THR CB C 82 67.402 67.402 68.466 -1.063 18087 2971 1 6 . 1 1 82 82 THR H H 82 8.537 8.537 8.177 0.360 18087 2972 1 6 . 1 1 83 83 VAL N N 83 123.805 123.805 121.698 2.107 18087 2973 1 6 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.628 0.102 18087 2974 1 6 . 1 1 83 83 VAL C C 83 177.787 177.787 177.089 0.698 18087 2975 1 6 . 1 1 83 83 VAL CA C 83 67.394 67.394 66.064 1.330 18087 2976 1 6 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.501 0.190 18087 2977 1 6 . 1 1 83 83 VAL H H 83 8.283 8.283 8.642 -0.359 18087 2978 1 6 . 1 1 84 84 ALA N N 84 121.134 121.134 123.147 -2.013 18087 2979 1 6 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.962 0.274 18087 2980 1 6 . 1 1 84 84 ALA C C 84 180.511 180.511 179.954 0.557 18087 2981 1 6 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.591 -0.416 18087 2982 1 6 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.286 -0.859 18087 2983 1 6 . 1 1 84 84 ALA H H 84 7.466 7.466 8.358 -0.892 18087 2984 1 6 . 1 1 85 85 MET N N 85 121.755 121.755 117.491 4.264 18087 2985 1 6 . 1 1 85 85 MET HA H 85 3.796 3.796 4.237 -0.441 18087 2986 1 6 . 1 1 85 85 MET CA C 85 59.656 59.656 57.381 2.275 18087 2987 1 6 . 1 1 85 85 MET CB C 85 33.653 33.653 31.316 2.337 18087 2988 1 6 . 1 1 85 85 MET H H 85 8.549 8.549 8.582 -0.033 18087 2989 1 6 . 1 1 86 86 ASN N N 86 119.410 119.410 119.361 0.049 18087 2990 1 6 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.682 -0.530 18087 2991 1 6 . 1 1 86 86 ASN C C 86 176.834 176.834 177.815 -0.981 18087 2992 1 6 . 1 1 86 86 ASN CA C 86 58.062 58.062 57.185 0.877 18087 2993 1 6 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.914 1.016 18087 2994 1 6 . 1 1 86 86 ASN H H 86 8.615 8.615 8.979 -0.364 18087 2995 1 6 . 1 1 87 87 ASN N N 87 117.077 117.077 119.325 -2.248 18087 2996 1 6 . 1 1 87 87 ASN HA H 87 4.446 4.446 4.733 -0.287 18087 2997 1 6 . 1 1 87 87 ASN C C 87 176.906 176.906 177.839 -0.933 18087 2998 1 6 . 1 1 87 87 ASN CA C 87 55.602 55.602 55.904 -0.302 18087 2999 1 6 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.369 -0.793 18087 3000 1 6 . 1 1 87 87 ASN H H 87 8.286 8.286 8.875 -0.589 18087 3001 1 6 . 1 1 88 88 PHE N N 88 119.698 119.698 122.177 -2.479 18087 3002 1 6 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.588 -0.110 18087 3003 1 6 . 1 1 88 88 PHE C C 88 177.057 177.057 176.854 0.203 18087 3004 1 6 . 1 1 88 88 PHE CA C 88 59.546 59.546 60.821 -1.275 18087 3005 1 6 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.715 0.896 18087 3006 1 6 . 1 1 88 88 PHE H H 88 7.909 7.909 8.272 -0.363 18087 3007 1 6 . 1 1 89 89 PHE N N 89 116.219 116.219 117.797 -1.578 18087 3008 1 6 . 1 1 89 89 PHE HA H 89 4.210 4.210 3.762 0.448 18087 3009 1 6 . 1 1 89 89 PHE C C 89 177.637 177.637 177.182 0.455 18087 3010 1 6 . 1 1 89 89 PHE CA C 89 58.752 58.752 61.432 -2.680 18087 3011 1 6 . 1 1 89 89 PHE CB C 89 39.781 39.781 38.472 1.309 18087 3012 1 6 . 1 1 89 89 PHE H H 89 8.049 8.049 8.232 -0.183 18087 3013 1 6 . 1 1 90 90 TRP N N 90 117.712 117.712 119.059 -1.347 18087 3014 1 6 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.556 -0.028 18087 3015 1 6 . 1 1 90 90 TRP C C 90 176.741 176.741 178.167 -1.426 18087 3016 1 6 . 1 1 90 90 TRP CA C 90 58.109 58.109 59.004 -0.895 18087 3017 1 6 . 1 1 90 90 TRP CB C 90 29.720 29.720 29.335 0.385 18087 3018 1 6 . 1 1 90 90 TRP H H 90 8.257 8.257 7.971 0.286 18087 3019 1 6 . 1 1 91 91 GLU N N 91 120.493 120.493 115.861 4.632 18087 3020 1 6 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.392 0.036 18087 3021 1 6 . 1 1 91 91 GLU C C 91 176.393 176.393 175.728 0.665 18087 3022 1 6 . 1 1 91 91 GLU CA C 91 57.193 57.193 56.392 0.802 18087 3023 1 6 . 1 1 91 91 GLU CB C 91 29.850 29.850 31.119 -1.268 18087 3024 1 6 . 1 1 91 91 GLU H H 91 7.988 7.988 8.361 -0.373 18087 3025 1 6 . 1 1 92 92 ASN N N 92 119.006 119.006 120.569 -1.563 18087 3026 1 6 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.656 0.131 18087 3027 1 6 . 1 1 92 92 ASN C C 92 174.284 174.284 174.209 0.075 18087 3028 1 6 . 1 1 92 92 ASN CA C 92 53.198 53.198 54.253 -1.055 18087 3029 1 6 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.235 0.998 18087 3030 1 6 . 1 1 92 92 ASN H H 92 8.203 8.203 8.524 -0.321 18087 3031 1 7 . 1 1 2 2 SER N N 2 117.254 117.254 117.215 0.039 18087 3032 1 7 . 1 1 2 2 SER HA H 2 4.737 4.737 4.484 0.253 18087 3033 1 7 . 1 1 2 2 SER C C 2 175.320 175.320 175.494 -0.174 18087 3034 1 7 . 1 1 2 2 SER CA C 2 57.476 57.476 58.020 -0.544 18087 3035 1 7 . 1 1 2 2 SER CB C 2 64.594 64.594 64.038 0.556 18087 3036 1 7 . 1 1 2 2 SER H H 2 8.686 8.686 9.048 -0.362 18087 3037 1 7 . 1 1 3 3 GLU N N 3 124.640 124.640 122.351 2.289 18087 3038 1 7 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.023 0.085 18087 3039 1 7 . 1 1 3 3 GLU C C 3 178.972 178.972 178.313 0.659 18087 3040 1 7 . 1 1 3 3 GLU CA C 3 60.375 60.375 60.524 -0.149 18087 3041 1 7 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.137 0.607 18087 3042 1 7 . 1 1 3 3 GLU H H 3 9.242 9.242 8.939 0.303 18087 3043 1 7 . 1 1 4 4 LEU N N 4 119.682 119.682 119.033 0.649 18087 3044 1 7 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.096 -0.144 18087 3045 1 7 . 1 1 4 4 LEU C C 4 178.027 178.027 179.155 -1.128 18087 3046 1 7 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.120 0.059 18087 3047 1 7 . 1 1 4 4 LEU CB C 4 42.308 42.308 40.715 1.593 18087 3048 1 7 . 1 1 4 4 LEU H H 4 8.952 8.952 8.378 0.574 18087 3049 1 7 . 1 1 5 5 GLU N N 5 118.542 118.542 119.413 -0.871 18087 3050 1 7 . 1 1 5 5 GLU HA H 5 3.792 3.792 3.996 -0.204 18087 3051 1 7 . 1 1 5 5 GLU C C 5 178.389 178.389 178.900 -0.511 18087 3052 1 7 . 1 1 5 5 GLU CA C 5 60.051 60.051 60.099 -0.049 18087 3053 1 7 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.183 0.800 18087 3054 1 7 . 1 1 5 5 GLU H H 5 7.968 7.968 8.366 -0.398 18087 3055 1 7 . 1 1 6 6 THR N N 6 114.278 114.278 117.441 -3.163 18087 3056 1 7 . 1 1 6 6 THR HA H 6 4.015 4.015 4.263 -0.248 18087 3057 1 7 . 1 1 6 6 THR C C 6 176.990 176.990 177.062 -0.072 18087 3058 1 7 . 1 1 6 6 THR CA C 6 66.450 66.450 66.743 -0.293 18087 3059 1 7 . 1 1 6 6 THR CB C 6 68.637 68.637 68.411 0.226 18087 3060 1 7 . 1 1 6 6 THR H H 6 8.177 8.177 8.780 -0.603 18087 3061 1 7 . 1 1 7 7 ALA N N 7 126.659 126.659 126.532 0.127 18087 3062 1 7 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.089 0.074 18087 3063 1 7 . 1 1 7 7 ALA C C 7 179.338 179.338 179.491 -0.153 18087 3064 1 7 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.153 0.662 18087 3065 1 7 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.202 -0.018 18087 3066 1 7 . 1 1 7 7 ALA H H 7 8.166 8.166 8.943 -0.777 18087 3067 1 7 . 1 1 8 8 MET N N 8 117.727 117.727 117.495 0.232 18087 3068 1 7 . 1 1 8 8 MET HA H 8 3.731 3.731 4.312 -0.581 18087 3069 1 7 . 1 1 8 8 MET C C 8 178.071 178.071 179.074 -1.003 18087 3070 1 7 . 1 1 8 8 MET CA C 8 60.447 60.447 57.072 3.375 18087 3071 1 7 . 1 1 8 8 MET CB C 8 34.928 34.928 31.359 3.569 18087 3072 1 7 . 1 1 8 8 MET H H 8 8.090 8.090 8.726 -0.636 18087 3073 1 7 . 1 1 9 9 GLU N N 9 117.303 117.303 120.634 -3.331 18087 3074 1 7 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.965 -0.058 18087 3075 1 7 . 1 1 9 9 GLU C C 9 179.261 179.261 179.039 0.222 18087 3076 1 7 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.871 0.159 18087 3077 1 7 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.445 0.054 18087 3078 1 7 . 1 1 9 9 GLU H H 9 8.603 8.603 9.066 -0.463 18087 3079 1 7 . 1 1 10 10 THR N N 10 117.583 117.583 118.203 -0.620 18087 3080 1 7 . 1 1 10 10 THR HA H 10 4.088 4.088 4.069 0.019 18087 3081 1 7 . 1 1 10 10 THR C C 10 175.758 175.758 176.682 -0.924 18087 3082 1 7 . 1 1 10 10 THR CA C 10 67.439 67.439 67.565 -0.126 18087 3083 1 7 . 1 1 10 10 THR CB C 10 68.014 68.014 68.549 -0.535 18087 3084 1 7 . 1 1 10 10 THR H H 10 8.483 8.483 8.810 -0.327 18087 3085 1 7 . 1 1 11 11 LEU N N 11 119.623 119.623 122.502 -2.879 18087 3086 1 7 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.376 -0.406 18087 3087 1 7 . 1 1 11 11 LEU C C 11 178.935 178.935 179.389 -0.454 18087 3088 1 7 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.414 0.761 18087 3089 1 7 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.752 0.109 18087 3090 1 7 . 1 1 11 11 LEU H H 11 8.013 8.013 8.455 -0.442 18087 3091 1 7 . 1 1 12 12 ILE N N 12 119.751 119.751 120.522 -0.771 18087 3092 1 7 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.521 0.472 18087 3093 1 7 . 1 1 12 12 ILE C C 12 177.717 177.717 178.197 -0.480 18087 3094 1 7 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.207 1.541 18087 3095 1 7 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.278 2.988 18087 3096 1 7 . 1 1 12 12 ILE H H 12 7.708 7.708 8.941 -1.233 18087 3097 1 7 . 1 1 13 13 ASN N N 13 121.260 121.260 119.681 1.579 18087 3098 1 7 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.520 0.047 18087 3099 1 7 . 1 1 13 13 ASN C C 13 178.941 178.941 178.387 0.554 18087 3100 1 7 . 1 1 13 13 ASN CA C 13 56.339 56.339 57.381 -1.042 18087 3101 1 7 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.575 -0.481 18087 3102 1 7 . 1 1 13 13 ASN H H 13 9.125 9.125 8.871 0.254 18087 3103 1 7 . 1 1 14 14 VAL N N 14 120.868 120.868 121.043 -0.175 18087 3104 1 7 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.713 0.154 18087 3105 1 7 . 1 1 14 14 VAL C C 14 177.827 177.827 177.866 -0.039 18087 3106 1 7 . 1 1 14 14 VAL CA C 14 66.715 66.715 67.235 -0.520 18087 3107 1 7 . 1 1 14 14 VAL CB C 14 31.902 31.902 32.077 -0.175 18087 3108 1 7 . 1 1 14 14 VAL H H 14 8.965 8.965 8.548 0.417 18087 3109 1 7 . 1 1 15 15 PHE N N 15 117.672 117.672 121.503 -3.831 18087 3110 1 7 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.838 -0.392 18087 3111 1 7 . 1 1 15 15 PHE C C 15 177.713 177.713 176.929 0.784 18087 3112 1 7 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.148 0.293 18087 3113 1 7 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.210 -0.029 18087 3114 1 7 . 1 1 15 15 PHE H H 15 6.968 6.968 9.090 -2.122 18087 3115 1 7 . 1 1 16 16 HIS N N 16 115.122 115.122 120.738 -5.616 18087 3116 1 7 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.268 0.101 18087 3117 1 7 . 1 1 16 16 HIS C C 16 176.987 176.987 177.743 -0.756 18087 3118 1 7 . 1 1 16 16 HIS CA C 16 58.413 58.413 59.127 -0.714 18087 3119 1 7 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.742 -1.482 18087 3120 1 7 . 1 1 16 16 HIS H H 16 8.020 8.020 9.483 -1.463 18087 3121 1 7 . 1 1 17 17 ALA N N 17 122.533 122.533 121.521 1.012 18087 3122 1 7 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.908 0.209 18087 3123 1 7 . 1 1 17 17 ALA CA C 17 54.064 54.064 54.996 -0.932 18087 3124 1 7 . 1 1 17 17 ALA CB C 17 17.908 17.908 18.040 -0.131 18087 3125 1 7 . 1 1 17 17 ALA H H 17 8.282 8.282 8.708 -0.426 18087 3126 1 7 . 1 1 18 18 HIS N N 18 113.127 113.127 117.491 -4.364 18087 3127 1 7 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.265 0.143 18087 3128 1 7 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.326 -2.078 18087 3129 1 7 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.432 1.830 18087 3130 1 7 . 1 1 18 18 HIS H H 18 7.124 7.124 8.656 -1.532 18087 3131 1 7 . 1 1 19 19 SER HA H 19 3.963 3.963 4.234 -0.271 18087 3132 1 7 . 1 1 19 19 SER CA C 19 59.969 59.969 62.539 -2.570 18087 3133 1 7 . 1 1 19 19 SER CB C 19 62.416 62.416 62.443 -0.027 18087 3134 1 7 . 1 1 20 20 GLY N N 20 107.243 107.243 109.664 -2.421 18087 3135 1 7 . 1 1 20 20 GLY CA C 20 46.114 46.114 47.004 -0.890 18087 3136 1 7 . 1 1 20 20 GLY H H 20 7.915 7.915 8.135 -0.220 18087 3137 1 7 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.044 -0.087 18087 3138 1 7 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.703 -0.658 18087 3139 1 7 . 1 1 21 21 LYS CB C 21 31.937 31.937 31.885 0.052 18087 3140 1 7 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.136 -0.094 18087 3141 1 7 . 1 1 22 22 GLU CA C 22 58.755 58.755 58.535 0.220 18087 3142 1 7 . 1 1 22 22 GLU CB C 22 30.184 30.184 30.632 -0.448 18087 3143 1 7 . 1 1 23 23 GLY N N 23 111.113 111.113 106.177 4.936 18087 3144 1 7 . 1 1 23 23 GLY CA C 23 46.790 46.790 44.490 2.300 18087 3145 1 7 . 1 1 23 23 GLY H H 23 8.435 8.435 8.256 0.179 18087 3146 1 7 . 1 1 24 24 ASP N N 24 123.994 123.994 121.998 1.996 18087 3147 1 7 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.604 -0.108 18087 3148 1 7 . 1 1 24 24 ASP CA C 24 54.286 54.286 53.596 0.690 18087 3149 1 7 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.359 -0.357 18087 3150 1 7 . 1 1 24 24 ASP H H 24 8.501 8.501 7.835 0.666 18087 3151 1 7 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.043 0.399 18087 3152 1 7 . 1 1 25 25 LYS CA C 25 56.523 56.523 57.729 -1.206 18087 3153 1 7 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.301 0.970 18087 3154 1 7 . 1 1 26 26 TYR N N 26 119.967 119.967 114.797 5.170 18087 3155 1 7 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.685 0.107 18087 3156 1 7 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.741 0.278 18087 3157 1 7 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.814 -0.383 18087 3158 1 7 . 1 1 26 26 TYR H H 26 8.712 8.712 8.209 0.503 18087 3159 1 7 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.881 0.418 18087 3160 1 7 . 1 1 27 27 LYS C C 27 174.308 174.308 173.878 0.430 18087 3161 1 7 . 1 1 27 27 LYS CA C 27 54.365 54.365 54.937 -0.572 18087 3162 1 7 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.569 -0.175 18087 3163 1 7 . 1 1 28 28 LEU N N 28 121.194 121.194 123.611 -2.417 18087 3164 1 7 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.672 0.048 18087 3165 1 7 . 1 1 28 28 LEU C C 28 178.895 178.895 174.463 4.432 18087 3166 1 7 . 1 1 28 28 LEU CA C 28 52.968 52.968 53.521 -0.553 18087 3167 1 7 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.317 0.894 18087 3168 1 7 . 1 1 28 28 LEU H H 28 8.632 8.632 8.894 -0.262 18087 3169 1 7 . 1 1 29 29 SER N N 29 119.705 119.705 121.548 -1.843 18087 3170 1 7 . 1 1 29 29 SER HA H 29 4.987 4.987 4.772 0.215 18087 3171 1 7 . 1 1 29 29 SER C C 29 175.742 175.742 175.026 0.716 18087 3172 1 7 . 1 1 29 29 SER CA C 29 57.873 57.873 57.113 0.760 18087 3173 1 7 . 1 1 29 29 SER CB C 29 64.531 64.531 65.036 -0.505 18087 3174 1 7 . 1 1 29 29 SER H H 29 8.901 8.901 9.576 -0.675 18087 3175 1 7 . 1 1 30 30 LYS N N 30 124.208 124.208 120.430 3.778 18087 3176 1 7 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.144 -0.330 18087 3177 1 7 . 1 1 30 30 LYS C C 30 178.469 178.469 178.414 0.055 18087 3178 1 7 . 1 1 30 30 LYS CA C 30 61.433 61.433 57.360 4.073 18087 3179 1 7 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.179 1.090 18087 3180 1 7 . 1 1 30 30 LYS H H 30 8.836 8.836 8.901 -0.065 18087 3181 1 7 . 1 1 31 31 LYS N N 31 119.570 119.570 120.360 -0.790 18087 3182 1 7 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.152 -0.106 18087 3183 1 7 . 1 1 31 31 LYS C C 31 179.409 179.409 178.197 1.212 18087 3184 1 7 . 1 1 31 31 LYS CA C 31 59.223 59.223 59.228 -0.005 18087 3185 1 7 . 1 1 31 31 LYS CB C 31 32.386 32.386 31.943 0.443 18087 3186 1 7 . 1 1 31 31 LYS H H 31 8.597 8.597 7.548 1.049 18087 3187 1 7 . 1 1 32 32 GLU N N 32 119.551 119.551 119.830 -0.279 18087 3188 1 7 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.074 -0.028 18087 3189 1 7 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.731 0.267 18087 3190 1 7 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.130 -0.660 18087 3191 1 7 . 1 1 32 32 GLU H H 32 7.442 7.442 8.076 -0.634 18087 3192 1 7 . 1 1 33 33 LEU N N 33 121.725 121.725 120.408 1.317 18087 3193 1 7 . 1 1 33 33 LEU HA H 33 4.068 4.068 4.001 0.067 18087 3194 1 7 . 1 1 33 33 LEU C C 33 177.279 177.279 178.574 -1.295 18087 3195 1 7 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.426 -1.030 18087 3196 1 7 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.538 -0.954 18087 3197 1 7 . 1 1 33 33 LEU H H 33 8.579 8.579 7.729 0.850 18087 3198 1 7 . 1 1 34 34 LYS N N 34 120.543 120.543 118.588 1.955 18087 3199 1 7 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.961 -0.325 18087 3200 1 7 . 1 1 34 34 LYS C C 34 177.868 177.868 179.036 -1.168 18087 3201 1 7 . 1 1 34 34 LYS CA C 34 60.704 60.704 60.000 0.704 18087 3202 1 7 . 1 1 34 34 LYS CB C 34 31.870 31.870 32.238 -0.368 18087 3203 1 7 . 1 1 34 34 LYS H H 34 8.618 8.618 7.521 1.097 18087 3204 1 7 . 1 1 35 35 GLU N N 35 117.340 117.340 119.078 -1.738 18087 3205 1 7 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.152 -0.145 18087 3206 1 7 . 1 1 35 35 GLU C C 35 179.008 179.008 179.336 -0.328 18087 3207 1 7 . 1 1 35 35 GLU CA C 35 59.366 59.366 58.489 0.877 18087 3208 1 7 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.375 -0.180 18087 3209 1 7 . 1 1 35 35 GLU H H 35 7.713 7.713 7.549 0.164 18087 3210 1 7 . 1 1 36 36 LEU N N 36 122.745 122.745 122.114 0.631 18087 3211 1 7 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.027 -0.014 18087 3212 1 7 . 1 1 36 36 LEU C C 36 178.646 178.646 178.230 0.416 18087 3213 1 7 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.440 -0.064 18087 3214 1 7 . 1 1 36 36 LEU CB C 36 41.888 41.888 40.876 1.012 18087 3215 1 7 . 1 1 36 36 LEU H H 36 8.150 8.150 8.840 -0.690 18087 3216 1 7 . 1 1 37 37 LEU N N 37 118.881 118.881 120.240 -1.359 18087 3217 1 7 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.028 -0.280 18087 3218 1 7 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.521 -0.160 18087 3219 1 7 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.212 0.201 18087 3220 1 7 . 1 1 37 37 LEU H H 37 8.495 8.495 7.974 0.521 18087 3221 1 7 . 1 1 38 38 GLN N N 38 115.311 115.311 116.984 -1.673 18087 3222 1 7 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.060 -0.271 18087 3223 1 7 . 1 1 38 38 GLN C C 38 177.826 177.826 178.153 -0.327 18087 3224 1 7 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.725 0.135 18087 3225 1 7 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.096 0.225 18087 3226 1 7 . 1 1 38 38 GLN H H 38 8.348 8.348 7.970 0.378 18087 3227 1 7 . 1 1 39 39 THR N N 39 112.151 112.151 116.737 -4.586 18087 3228 1 7 . 1 1 39 39 THR HA H 39 4.186 4.186 4.004 0.182 18087 3229 1 7 . 1 1 39 39 THR C C 39 177.166 177.166 177.288 -0.122 18087 3230 1 7 . 1 1 39 39 THR CA C 39 65.284 65.284 66.929 -1.645 18087 3231 1 7 . 1 1 39 39 THR CB C 39 69.179 69.179 68.657 0.522 18087 3232 1 7 . 1 1 39 39 THR H H 39 7.872 7.872 8.457 -0.585 18087 3233 1 7 . 1 1 40 40 GLU N N 40 119.602 119.602 120.899 -1.297 18087 3234 1 7 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.359 0.007 18087 3235 1 7 . 1 1 40 40 GLU C C 40 178.228 178.228 178.784 -0.556 18087 3236 1 7 . 1 1 40 40 GLU CA C 40 58.623 58.623 57.847 0.776 18087 3237 1 7 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.854 1.080 18087 3238 1 7 . 1 1 40 40 GLU H H 40 8.713 8.713 8.807 -0.094 18087 3239 1 7 . 1 1 41 41 LEU N N 41 118.018 118.018 122.400 -4.382 18087 3240 1 7 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.597 0.535 18087 3241 1 7 . 1 1 41 41 LEU C C 41 176.993 176.993 176.737 0.256 18087 3242 1 7 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.874 -1.056 18087 3243 1 7 . 1 1 41 41 LEU CB C 41 41.962 41.962 40.108 1.854 18087 3244 1 7 . 1 1 41 41 LEU H H 41 8.243 8.243 8.154 0.089 18087 3245 1 7 . 1 1 42 42 SER N N 42 114.483 114.483 117.493 -3.010 18087 3246 1 7 . 1 1 42 42 SER HA H 42 3.950 3.950 4.216 -0.266 18087 3247 1 7 . 1 1 42 42 SER C C 42 176.651 176.651 176.930 -0.279 18087 3248 1 7 . 1 1 42 42 SER CA C 42 62.225 62.225 62.558 -0.333 18087 3249 1 7 . 1 1 42 42 SER CB C 42 62.675 62.675 63.021 -0.346 18087 3250 1 7 . 1 1 42 42 SER H H 42 7.019 7.019 7.876 -0.857 18087 3251 1 7 . 1 1 43 43 GLY N N 43 109.381 109.381 108.901 0.480 18087 3252 1 7 . 1 1 43 43 GLY C C 43 176.476 176.476 175.694 0.782 18087 3253 1 7 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.629 0.390 18087 3254 1 7 . 1 1 43 43 GLY H H 43 8.666 8.666 8.792 -0.126 18087 3255 1 7 . 1 1 44 44 PHE N N 44 124.390 124.390 121.631 2.759 18087 3256 1 7 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.676 -0.349 18087 3257 1 7 . 1 1 44 44 PHE C C 44 176.516 176.516 177.908 -1.392 18087 3258 1 7 . 1 1 44 44 PHE CA C 44 60.094 60.094 60.347 -0.253 18087 3259 1 7 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.961 0.263 18087 3260 1 7 . 1 1 44 44 PHE H H 44 8.226 8.226 7.873 0.353 18087 3261 1 7 . 1 1 45 45 LEU N N 45 117.156 117.156 121.060 -3.904 18087 3262 1 7 . 1 1 45 45 LEU HA H 45 3.418 3.418 4.139 -0.721 18087 3263 1 7 . 1 1 45 45 LEU C C 45 179.673 179.673 178.034 1.639 18087 3264 1 7 . 1 1 45 45 LEU CA C 45 57.522 57.522 58.137 -0.615 18087 3265 1 7 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.678 -1.064 18087 3266 1 7 . 1 1 45 45 LEU H H 45 8.627 8.627 9.035 -0.408 18087 3267 1 7 . 1 1 46 46 ASP N N 46 117.663 117.663 118.672 -1.009 18087 3268 1 7 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.300 0.045 18087 3269 1 7 . 1 1 46 46 ASP C C 46 177.844 177.844 178.517 -0.673 18087 3270 1 7 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.352 -0.568 18087 3271 1 7 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.721 0.409 18087 3272 1 7 . 1 1 46 46 ASP H H 46 7.933 7.933 7.915 0.018 18087 3273 1 7 . 1 1 47 47 ALA N N 47 119.795 119.795 121.856 -2.061 18087 3274 1 7 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.060 0.143 18087 3275 1 7 . 1 1 47 47 ALA C C 47 179.300 179.300 179.981 -0.681 18087 3276 1 7 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.939 -1.577 18087 3277 1 7 . 1 1 47 47 ALA CB C 47 19.011 19.011 18.647 0.364 18087 3278 1 7 . 1 1 47 47 ALA H H 47 7.380 7.380 7.593 -0.213 18087 3279 1 7 . 1 1 48 48 GLN N N 48 115.955 115.955 115.874 0.081 18087 3280 1 7 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.227 0.043 18087 3281 1 7 . 1 1 48 48 GLN C C 48 175.355 175.355 178.145 -2.790 18087 3282 1 7 . 1 1 48 48 GLN CA C 48 54.026 54.026 57.562 -3.536 18087 3283 1 7 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.843 0.717 18087 3284 1 7 . 1 1 48 48 GLN H H 48 7.369 7.369 8.603 -1.234 18087 3285 1 7 . 1 1 49 49 LYS N N 49 119.402 119.402 121.243 -1.841 18087 3286 1 7 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.066 -0.050 18087 3287 1 7 . 1 1 49 49 LYS C C 49 176.255 176.255 177.979 -1.724 18087 3288 1 7 . 1 1 49 49 LYS CA C 49 58.184 58.184 58.998 -0.814 18087 3289 1 7 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.298 -0.195 18087 3290 1 7 . 1 1 49 49 LYS H H 49 7.152 7.152 7.440 -0.288 18087 3291 1 7 . 1 1 50 50 ASP N N 50 117.172 117.172 117.462 -0.290 18087 3292 1 7 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.775 -0.180 18087 3293 1 7 . 1 1 50 50 ASP C C 50 175.916 175.916 176.201 -0.285 18087 3294 1 7 . 1 1 50 50 ASP CA C 50 54.217 54.217 54.831 -0.614 18087 3295 1 7 . 1 1 50 50 ASP CB C 50 40.309 40.309 40.946 -0.637 18087 3296 1 7 . 1 1 50 50 ASP H H 50 8.338 8.338 8.125 0.213 18087 3297 1 7 . 1 1 51 51 VAL N N 51 121.648 121.648 118.094 3.554 18087 3298 1 7 . 1 1 51 51 VAL HA H 51 3.997 3.997 4.178 -0.181 18087 3299 1 7 . 1 1 51 51 VAL C C 51 177.128 177.128 176.439 0.689 18087 3300 1 7 . 1 1 51 51 VAL CA C 51 62.404 62.404 61.959 0.445 18087 3301 1 7 . 1 1 51 51 VAL CB C 51 31.921 31.921 32.601 -0.680 18087 3302 1 7 . 1 1 51 51 VAL H H 51 7.604 7.604 7.427 0.177 18087 3303 1 7 . 1 1 52 52 ASP N N 52 129.202 129.202 121.267 7.935 18087 3304 1 7 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.112 0.161 18087 3305 1 7 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.068 1.115 18087 3306 1 7 . 1 1 52 52 ASP CB C 52 40.935 40.935 40.238 0.697 18087 3307 1 7 . 1 1 52 52 ASP H H 52 8.702 8.702 8.583 0.119 18087 3308 1 7 . 1 1 53 53 ALA N N 53 118.401 118.401 121.457 -3.056 18087 3309 1 7 . 1 1 53 53 ALA HA H 53 4.012 4.012 3.897 0.115 18087 3310 1 7 . 1 1 53 53 ALA C C 53 179.448 179.448 178.527 0.921 18087 3311 1 7 . 1 1 53 53 ALA CA C 53 55.053 55.053 55.162 -0.109 18087 3312 1 7 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.680 0.684 18087 3313 1 7 . 1 1 53 53 ALA H H 53 8.478 8.478 8.380 0.098 18087 3314 1 7 . 1 1 54 54 VAL N N 54 115.050 115.050 118.397 -3.347 18087 3315 1 7 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.696 -0.154 18087 3316 1 7 . 1 1 54 54 VAL C C 54 177.000 177.000 177.020 -0.020 18087 3317 1 7 . 1 1 54 54 VAL CA C 54 65.220 65.220 65.400 -0.180 18087 3318 1 7 . 1 1 54 54 VAL CB C 54 32.059 32.059 30.949 1.110 18087 3319 1 7 . 1 1 54 54 VAL H H 54 6.988 6.988 8.110 -1.122 18087 3320 1 7 . 1 1 55 55 ASP N N 55 120.834 120.834 119.927 0.907 18087 3321 1 7 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.329 -0.051 18087 3322 1 7 . 1 1 55 55 ASP C C 55 178.307 178.307 178.247 0.060 18087 3323 1 7 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.742 -0.119 18087 3324 1 7 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.685 1.092 18087 3325 1 7 . 1 1 55 55 ASP H H 55 8.157 8.157 8.585 -0.428 18087 3326 1 7 . 1 1 56 56 LYS N N 56 115.672 115.672 119.115 -3.443 18087 3327 1 7 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.087 -0.199 18087 3328 1 7 . 1 1 56 56 LYS C C 56 179.372 179.372 179.284 0.088 18087 3329 1 7 . 1 1 56 56 LYS CA C 56 59.608 59.608 58.517 1.091 18087 3330 1 7 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.190 0.188 18087 3331 1 7 . 1 1 56 56 LYS H H 56 8.348 8.348 7.538 0.810 18087 3332 1 7 . 1 1 57 57 VAL N N 57 118.238 118.238 120.902 -2.664 18087 3333 1 7 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.620 0.109 18087 3334 1 7 . 1 1 57 57 VAL C C 57 177.541 177.541 177.986 -0.445 18087 3335 1 7 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.584 -0.882 18087 3336 1 7 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.821 0.097 18087 3337 1 7 . 1 1 57 57 VAL H H 57 7.003 7.003 8.641 -1.638 18087 3338 1 7 . 1 1 58 58 MET N N 58 115.998 115.998 119.006 -3.008 18087 3339 1 7 . 1 1 58 58 MET HA H 58 4.313 4.313 4.059 0.254 18087 3340 1 7 . 1 1 58 58 MET C C 58 179.857 179.857 177.911 1.946 18087 3341 1 7 . 1 1 58 58 MET CA C 58 56.717 56.717 59.191 -2.474 18087 3342 1 7 . 1 1 58 58 MET CB C 58 32.366 32.366 32.528 -0.162 18087 3343 1 7 . 1 1 58 58 MET H H 58 7.836 7.836 8.888 -1.052 18087 3344 1 7 . 1 1 59 59 LYS N N 59 119.682 119.682 119.871 -0.189 18087 3345 1 7 . 1 1 59 59 LYS HA H 59 4.088 4.088 3.894 0.194 18087 3346 1 7 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.722 -0.280 18087 3347 1 7 . 1 1 59 59 LYS CB C 59 32.504 32.504 32.212 0.293 18087 3348 1 7 . 1 1 59 59 LYS H H 59 8.619 8.619 8.439 0.180 18087 3349 1 7 . 1 1 60 60 GLU N N 60 119.917 119.917 119.968 -0.051 18087 3350 1 7 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.011 -0.075 18087 3351 1 7 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.372 -0.132 18087 3352 1 7 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.066 1.023 18087 3353 1 7 . 1 1 60 60 GLU H H 60 7.721 7.721 7.924 -0.203 18087 3354 1 7 . 1 1 61 61 LEU N N 61 116.614 116.614 119.682 -3.068 18087 3355 1 7 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.117 -0.094 18087 3356 1 7 . 1 1 61 61 LEU C C 61 175.845 175.845 179.525 -3.680 18087 3357 1 7 . 1 1 61 61 LEU CA C 61 56.515 56.515 57.966 -1.451 18087 3358 1 7 . 1 1 61 61 LEU CB C 61 41.218 41.218 40.875 0.343 18087 3359 1 7 . 1 1 61 61 LEU H H 61 7.429 7.429 7.617 -0.188 18087 3360 1 7 . 1 1 62 62 ASP N N 62 116.147 116.147 120.710 -4.563 18087 3361 1 7 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.368 0.155 18087 3362 1 7 . 1 1 62 62 ASP C C 62 177.790 177.790 178.748 -0.958 18087 3363 1 7 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.251 -1.825 18087 3364 1 7 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.775 1.105 18087 3365 1 7 . 1 1 62 62 ASP H H 62 7.423 7.423 8.335 -0.912 18087 3366 1 7 . 1 1 63 63 GLU N N 63 119.660 119.660 119.718 -0.058 18087 3367 1 7 . 1 1 63 63 GLU HA H 63 4.136 4.136 3.990 0.146 18087 3368 1 7 . 1 1 63 63 GLU CA C 63 57.377 57.377 59.089 -1.712 18087 3369 1 7 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.077 0.912 18087 3370 1 7 . 1 1 63 63 GLU H H 63 7.837 7.837 8.931 -1.094 18087 3371 1 7 . 1 1 64 64 ASN N N 64 118.376 118.376 118.107 0.269 18087 3372 1 7 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.509 0.353 18087 3373 1 7 . 1 1 64 64 ASN C C 64 176.216 176.216 176.905 -0.689 18087 3374 1 7 . 1 1 64 64 ASN CA C 64 52.688 52.688 54.598 -1.910 18087 3375 1 7 . 1 1 64 64 ASN CB C 64 38.185 38.185 38.312 -0.127 18087 3376 1 7 . 1 1 64 64 ASN H H 64 8.012 8.012 8.496 -0.484 18087 3377 1 7 . 1 1 65 65 GLY N N 65 107.248 107.248 107.490 -0.242 18087 3378 1 7 . 1 1 65 65 GLY C C 65 173.971 173.971 175.352 -1.381 18087 3379 1 7 . 1 1 65 65 GLY CA C 65 47.136 47.136 45.969 1.167 18087 3380 1 7 . 1 1 65 65 GLY H H 65 7.989 7.989 8.384 -0.395 18087 3381 1 7 . 1 1 66 66 ASP N N 66 116.989 116.989 120.810 -3.821 18087 3382 1 7 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.429 0.359 18087 3383 1 7 . 1 1 66 66 ASP C C 66 177.289 177.289 176.882 0.407 18087 3384 1 7 . 1 1 66 66 ASP CA C 66 54.166 54.166 55.926 -1.760 18087 3385 1 7 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.221 -0.234 18087 3386 1 7 . 1 1 66 66 ASP H H 66 8.233 8.233 7.642 0.591 18087 3387 1 7 . 1 1 67 67 GLY N N 67 108.642 108.642 106.888 1.754 18087 3388 1 7 . 1 1 67 67 GLY C C 67 172.757 172.757 172.942 -0.185 18087 3389 1 7 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.944 -0.728 18087 3390 1 7 . 1 1 67 67 GLY H H 67 8.274 8.274 8.195 0.079 18087 3391 1 7 . 1 1 68 68 GLU N N 68 118.614 118.614 118.928 -0.314 18087 3392 1 7 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.597 0.358 18087 3393 1 7 . 1 1 68 68 GLU C C 68 175.881 175.881 174.452 1.429 18087 3394 1 7 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.605 -0.240 18087 3395 1 7 . 1 1 68 68 GLU CB C 68 33.488 33.488 33.632 -0.144 18087 3396 1 7 . 1 1 68 68 GLU H H 68 8.404 8.404 8.004 0.400 18087 3397 1 7 . 1 1 69 69 VAL N N 69 117.572 117.572 122.158 -4.586 18087 3398 1 7 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.985 -0.220 18087 3399 1 7 . 1 1 69 69 VAL C C 69 174.820 174.820 174.108 0.712 18087 3400 1 7 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.556 0.395 18087 3401 1 7 . 1 1 69 69 VAL CB C 69 34.352 34.352 35.190 -0.837 18087 3402 1 7 . 1 1 69 69 VAL H H 69 9.167 9.167 9.105 0.062 18087 3403 1 7 . 1 1 70 70 ASP N N 70 122.616 122.616 127.836 -5.220 18087 3404 1 7 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.112 0.102 18087 3405 1 7 . 1 1 70 70 ASP C C 70 175.822 175.822 176.751 -0.929 18087 3406 1 7 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.457 -1.081 18087 3407 1 7 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.589 -1.397 18087 3408 1 7 . 1 1 70 70 ASP H H 70 8.292 8.292 8.021 0.271 18087 3409 1 7 . 1 1 71 71 PHE N N 71 119.243 119.243 119.562 -0.319 18087 3410 1 7 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.592 -0.841 18087 3411 1 7 . 1 1 71 71 PHE C C 71 176.387 176.387 177.033 -0.646 18087 3412 1 7 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.393 1.572 18087 3413 1 7 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.094 0.047 18087 3414 1 7 . 1 1 71 71 PHE H H 71 8.889 8.889 8.479 0.410 18087 3415 1 7 . 1 1 72 72 GLN N N 72 116.655 116.655 116.711 -0.056 18087 3416 1 7 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.743 -0.035 18087 3417 1 7 . 1 1 72 72 GLN C C 72 177.102 177.102 178.367 -1.265 18087 3418 1 7 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.286 -0.011 18087 3419 1 7 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.474 -0.307 18087 3420 1 7 . 1 1 72 72 GLN H H 72 8.021 8.021 9.423 -1.402 18087 3421 1 7 . 1 1 73 73 GLU N N 73 119.195 119.195 119.894 -0.699 18087 3422 1 7 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.009 0.484 18087 3423 1 7 . 1 1 73 73 GLU CA C 73 55.179 55.179 58.922 -3.744 18087 3424 1 7 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.653 2.161 18087 3425 1 7 . 1 1 73 73 GLU H H 73 8.066 8.066 7.874 0.192 18087 3426 1 7 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.150 -0.064 18087 3427 1 7 . 1 1 74 74 TYR CA C 74 60.497 60.497 61.138 -0.641 18087 3428 1 7 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.630 -0.804 18087 3429 1 7 . 1 1 75 75 VAL N N 75 120.072 120.072 116.528 3.544 18087 3430 1 7 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.064 -0.081 18087 3431 1 7 . 1 1 75 75 VAL C C 75 177.295 177.295 177.252 0.043 18087 3432 1 7 . 1 1 75 75 VAL CA C 75 65.692 65.692 66.454 -0.762 18087 3433 1 7 . 1 1 75 75 VAL CB C 75 30.618 30.618 31.076 -0.458 18087 3434 1 7 . 1 1 75 75 VAL H H 75 8.291 8.291 8.178 0.113 18087 3435 1 7 . 1 1 76 76 VAL N N 76 121.367 121.367 120.062 1.305 18087 3436 1 7 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.516 0.004 18087 3437 1 7 . 1 1 76 76 VAL C C 76 178.847 178.847 177.218 1.629 18087 3438 1 7 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.942 0.611 18087 3439 1 7 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.554 -0.166 18087 3440 1 7 . 1 1 76 76 VAL H H 76 7.571 7.571 7.403 0.168 18087 3441 1 7 . 1 1 77 77 LEU N N 77 123.054 123.054 121.294 1.760 18087 3442 1 7 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.982 0.147 18087 3443 1 7 . 1 1 77 77 LEU C C 77 179.065 179.065 177.998 1.067 18087 3444 1 7 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.392 0.100 18087 3445 1 7 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.730 -0.434 18087 3446 1 7 . 1 1 77 77 LEU H H 77 7.360 7.360 7.681 -0.321 18087 3447 1 7 . 1 1 78 78 VAL N N 78 119.163 119.163 115.772 3.391 18087 3448 1 7 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.508 -0.235 18087 3449 1 7 . 1 1 78 78 VAL C C 78 180.217 180.217 177.682 2.535 18087 3450 1 7 . 1 1 78 78 VAL CA C 78 67.270 67.270 66.496 0.774 18087 3451 1 7 . 1 1 78 78 VAL CB C 78 31.181 31.181 31.043 0.138 18087 3452 1 7 . 1 1 78 78 VAL H H 78 8.192 8.192 7.531 0.661 18087 3453 1 7 . 1 1 79 79 ALA N N 79 125.884 125.884 122.822 3.062 18087 3454 1 7 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.826 -0.029 18087 3455 1 7 . 1 1 79 79 ALA C C 79 178.708 178.708 179.021 -0.313 18087 3456 1 7 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.201 0.690 18087 3457 1 7 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.718 -0.355 18087 3458 1 7 . 1 1 79 79 ALA H H 79 9.067 9.067 8.587 0.480 18087 3459 1 7 . 1 1 80 80 ALA N N 80 121.108 121.108 121.858 -0.750 18087 3460 1 7 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.978 0.146 18087 3461 1 7 . 1 1 80 80 ALA C C 80 182.175 182.175 179.701 2.474 18087 3462 1 7 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.207 0.216 18087 3463 1 7 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.114 -0.445 18087 3464 1 7 . 1 1 80 80 ALA H H 80 7.776 7.776 8.729 -0.953 18087 3465 1 7 . 1 1 81 81 LEU N N 81 118.519 118.519 118.238 0.281 18087 3466 1 7 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.881 0.237 18087 3467 1 7 . 1 1 81 81 LEU C C 81 177.959 177.959 179.323 -1.364 18087 3468 1 7 . 1 1 81 81 LEU CA C 81 57.489 57.489 58.079 -0.590 18087 3469 1 7 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.564 0.605 18087 3470 1 7 . 1 1 81 81 LEU H H 81 8.097 8.097 7.960 0.137 18087 3471 1 7 . 1 1 82 82 THR N N 82 119.572 119.572 116.284 3.288 18087 3472 1 7 . 1 1 82 82 THR HA H 82 3.777 3.777 3.407 0.370 18087 3473 1 7 . 1 1 82 82 THR C C 82 176.911 176.911 176.537 0.374 18087 3474 1 7 . 1 1 82 82 THR CA C 82 68.058 68.058 66.758 1.300 18087 3475 1 7 . 1 1 82 82 THR CB C 82 67.402 67.402 68.443 -1.041 18087 3476 1 7 . 1 1 82 82 THR H H 82 8.537 8.537 8.284 0.253 18087 3477 1 7 . 1 1 83 83 VAL N N 83 123.805 123.805 122.024 1.781 18087 3478 1 7 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.979 -0.249 18087 3479 1 7 . 1 1 83 83 VAL C C 83 177.787 177.787 177.311 0.476 18087 3480 1 7 . 1 1 83 83 VAL CA C 83 67.394 67.394 64.967 2.427 18087 3481 1 7 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.325 0.367 18087 3482 1 7 . 1 1 83 83 VAL H H 83 8.283 8.283 8.704 -0.421 18087 3483 1 7 . 1 1 84 84 ALA N N 84 121.134 121.134 122.623 -1.489 18087 3484 1 7 . 1 1 84 84 ALA HA H 84 4.236 4.236 4.078 0.158 18087 3485 1 7 . 1 1 84 84 ALA C C 84 180.511 180.511 179.802 0.709 18087 3486 1 7 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.357 -0.182 18087 3487 1 7 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.346 -0.919 18087 3488 1 7 . 1 1 84 84 ALA H H 84 7.466 7.466 8.383 -0.917 18087 3489 1 7 . 1 1 85 85 MET N N 85 121.755 121.755 117.877 3.878 18087 3490 1 7 . 1 1 85 85 MET HA H 85 3.796 3.796 4.239 -0.443 18087 3491 1 7 . 1 1 85 85 MET CA C 85 59.656 59.656 58.940 0.716 18087 3492 1 7 . 1 1 85 85 MET CB C 85 33.653 33.653 33.237 0.416 18087 3493 1 7 . 1 1 85 85 MET H H 85 8.549 8.549 8.488 0.061 18087 3494 1 7 . 1 1 86 86 ASN N N 86 119.410 119.410 118.675 0.735 18087 3495 1 7 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.726 -0.574 18087 3496 1 7 . 1 1 86 86 ASN C C 86 176.834 176.834 177.572 -0.738 18087 3497 1 7 . 1 1 86 86 ASN CA C 86 58.062 58.062 55.894 2.168 18087 3498 1 7 . 1 1 86 86 ASN CB C 86 39.930 39.930 37.547 2.383 18087 3499 1 7 . 1 1 86 86 ASN H H 86 8.615 8.615 9.042 -0.427 18087 3500 1 7 . 1 1 87 87 ASN N N 87 117.077 117.077 120.106 -3.029 18087 3501 1 7 . 1 1 87 87 ASN HA H 87 4.446 4.446 4.858 -0.412 18087 3502 1 7 . 1 1 87 87 ASN C C 87 176.906 176.906 177.183 -0.277 18087 3503 1 7 . 1 1 87 87 ASN CA C 87 55.602 55.602 56.637 -1.035 18087 3504 1 7 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.181 -0.605 18087 3505 1 7 . 1 1 87 87 ASN H H 87 8.286 8.286 8.887 -0.601 18087 3506 1 7 . 1 1 88 88 PHE N N 88 119.698 119.698 120.266 -0.568 18087 3507 1 7 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.261 0.217 18087 3508 1 7 . 1 1 88 88 PHE C C 88 177.057 177.057 177.281 -0.224 18087 3509 1 7 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.135 -1.589 18087 3510 1 7 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.888 0.723 18087 3511 1 7 . 1 1 88 88 PHE H H 88 7.909 7.909 7.995 -0.086 18087 3512 1 7 . 1 1 89 89 PHE N N 89 116.219 116.219 118.775 -2.556 18087 3513 1 7 . 1 1 89 89 PHE HA H 89 4.210 4.210 3.875 0.335 18087 3514 1 7 . 1 1 89 89 PHE C C 89 177.637 177.637 176.993 0.644 18087 3515 1 7 . 1 1 89 89 PHE CA C 89 58.752 58.752 62.173 -3.421 18087 3516 1 7 . 1 1 89 89 PHE CB C 89 39.781 39.781 38.496 1.285 18087 3517 1 7 . 1 1 89 89 PHE H H 89 8.049 8.049 7.504 0.545 18087 3518 1 7 . 1 1 90 90 TRP N N 90 117.712 117.712 118.151 -0.439 18087 3519 1 7 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.372 0.156 18087 3520 1 7 . 1 1 90 90 TRP C C 90 176.741 176.741 178.405 -1.664 18087 3521 1 7 . 1 1 90 90 TRP CA C 90 58.109 58.109 59.810 -1.701 18087 3522 1 7 . 1 1 90 90 TRP CB C 90 29.720 29.720 28.934 0.785 18087 3523 1 7 . 1 1 90 90 TRP H H 90 8.257 8.257 8.129 0.128 18087 3524 1 7 . 1 1 91 91 GLU N N 91 120.493 120.493 117.201 3.292 18087 3525 1 7 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.126 0.302 18087 3526 1 7 . 1 1 91 91 GLU C C 91 176.393 176.393 177.422 -1.029 18087 3527 1 7 . 1 1 91 91 GLU CA C 91 57.193 57.193 57.316 -0.123 18087 3528 1 7 . 1 1 91 91 GLU CB C 91 29.850 29.850 29.873 -0.024 18087 3529 1 7 . 1 1 91 91 GLU H H 91 7.988 7.988 7.762 0.226 18087 3530 1 7 . 1 1 92 92 ASN N N 92 119.006 119.006 120.047 -1.041 18087 3531 1 7 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.050 0.737 18087 3532 1 7 . 1 1 92 92 ASN C C 92 174.284 174.284 173.638 0.646 18087 3533 1 7 . 1 1 92 92 ASN CA C 92 53.198 53.198 54.145 -0.947 18087 3534 1 7 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.131 1.102 18087 3535 1 7 . 1 1 92 92 ASN H H 92 8.203 8.203 7.956 0.247 18087 3536 1 8 . 1 1 2 2 SER N N 2 117.254 117.254 115.276 1.978 18087 3537 1 8 . 1 1 2 2 SER HA H 2 4.737 4.737 4.459 0.278 18087 3538 1 8 . 1 1 2 2 SER C C 2 175.320 175.320 175.588 -0.268 18087 3539 1 8 . 1 1 2 2 SER CA C 2 57.476 57.476 58.033 -0.557 18087 3540 1 8 . 1 1 2 2 SER CB C 2 64.594 64.594 63.968 0.626 18087 3541 1 8 . 1 1 2 2 SER H H 2 8.686 8.686 9.275 -0.589 18087 3542 1 8 . 1 1 3 3 GLU N N 3 124.640 124.640 122.948 1.692 18087 3543 1 8 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.010 0.098 18087 3544 1 8 . 1 1 3 3 GLU C C 3 178.972 178.972 178.445 0.527 18087 3545 1 8 . 1 1 3 3 GLU CA C 3 60.375 60.375 60.623 -0.248 18087 3546 1 8 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.235 0.509 18087 3547 1 8 . 1 1 3 3 GLU H H 3 9.242 9.242 8.944 0.298 18087 3548 1 8 . 1 1 4 4 LEU N N 4 119.682 119.682 118.995 0.687 18087 3549 1 8 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.068 -0.116 18087 3550 1 8 . 1 1 4 4 LEU C C 4 178.027 178.027 179.097 -1.070 18087 3551 1 8 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.285 -0.106 18087 3552 1 8 . 1 1 4 4 LEU CB C 4 42.308 42.308 40.843 1.465 18087 3553 1 8 . 1 1 4 4 LEU H H 4 8.952 8.952 8.402 0.550 18087 3554 1 8 . 1 1 5 5 GLU N N 5 118.542 118.542 119.044 -0.502 18087 3555 1 8 . 1 1 5 5 GLU HA H 5 3.792 3.792 3.989 -0.197 18087 3556 1 8 . 1 1 5 5 GLU C C 5 178.389 178.389 178.860 -0.471 18087 3557 1 8 . 1 1 5 5 GLU CA C 5 60.051 60.051 60.093 -0.042 18087 3558 1 8 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.197 0.786 18087 3559 1 8 . 1 1 5 5 GLU H H 5 7.968 7.968 8.368 -0.400 18087 3560 1 8 . 1 1 6 6 THR N N 6 114.278 114.278 117.185 -2.907 18087 3561 1 8 . 1 1 6 6 THR HA H 6 4.015 4.015 4.035 -0.020 18087 3562 1 8 . 1 1 6 6 THR C C 6 176.990 176.990 176.984 0.006 18087 3563 1 8 . 1 1 6 6 THR CA C 6 66.450 66.450 67.014 -0.564 18087 3564 1 8 . 1 1 6 6 THR CB C 6 68.637 68.637 68.314 0.323 18087 3565 1 8 . 1 1 6 6 THR H H 6 8.177 8.177 8.773 -0.596 18087 3566 1 8 . 1 1 7 7 ALA N N 7 126.659 126.659 126.115 0.544 18087 3567 1 8 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.068 0.095 18087 3568 1 8 . 1 1 7 7 ALA C C 7 179.338 179.338 179.501 -0.163 18087 3569 1 8 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.274 0.541 18087 3570 1 8 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.187 -0.003 18087 3571 1 8 . 1 1 7 7 ALA H H 7 8.166 8.166 8.991 -0.825 18087 3572 1 8 . 1 1 8 8 MET N N 8 117.727 117.727 117.327 0.400 18087 3573 1 8 . 1 1 8 8 MET HA H 8 3.731 3.731 4.297 -0.566 18087 3574 1 8 . 1 1 8 8 MET C C 8 178.071 178.071 179.095 -1.024 18087 3575 1 8 . 1 1 8 8 MET CA C 8 60.447 60.447 57.203 3.244 18087 3576 1 8 . 1 1 8 8 MET CB C 8 34.928 34.928 31.421 3.507 18087 3577 1 8 . 1 1 8 8 MET H H 8 8.090 8.090 8.692 -0.602 18087 3578 1 8 . 1 1 9 9 GLU N N 9 117.303 117.303 120.321 -3.018 18087 3579 1 8 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.956 -0.049 18087 3580 1 8 . 1 1 9 9 GLU C C 9 179.261 179.261 179.208 0.053 18087 3581 1 8 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.543 0.487 18087 3582 1 8 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.494 0.005 18087 3583 1 8 . 1 1 9 9 GLU H H 9 8.603 8.603 8.922 -0.319 18087 3584 1 8 . 1 1 10 10 THR N N 10 117.583 117.583 117.851 -0.268 18087 3585 1 8 . 1 1 10 10 THR HA H 10 4.088 4.088 4.039 0.049 18087 3586 1 8 . 1 1 10 10 THR C C 10 175.758 175.758 176.894 -1.136 18087 3587 1 8 . 1 1 10 10 THR CA C 10 67.439 67.439 67.431 0.008 18087 3588 1 8 . 1 1 10 10 THR CB C 10 68.014 68.014 68.694 -0.680 18087 3589 1 8 . 1 1 10 10 THR H H 10 8.483 8.483 8.705 -0.222 18087 3590 1 8 . 1 1 11 11 LEU N N 11 119.623 119.623 122.234 -2.611 18087 3591 1 8 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.319 -0.349 18087 3592 1 8 . 1 1 11 11 LEU C C 11 178.935 178.935 179.545 -0.610 18087 3593 1 8 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.481 0.694 18087 3594 1 8 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.805 0.056 18087 3595 1 8 . 1 1 11 11 LEU H H 11 8.013 8.013 8.327 -0.314 18087 3596 1 8 . 1 1 12 12 ILE N N 12 119.751 119.751 120.462 -0.711 18087 3597 1 8 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.512 0.481 18087 3598 1 8 . 1 1 12 12 ILE C C 12 177.717 177.717 178.094 -0.377 18087 3599 1 8 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.227 1.521 18087 3600 1 8 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.177 3.089 18087 3601 1 8 . 1 1 12 12 ILE H H 12 7.708 7.708 8.608 -0.900 18087 3602 1 8 . 1 1 13 13 ASN N N 13 121.260 121.260 119.054 2.206 18087 3603 1 8 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.482 0.085 18087 3604 1 8 . 1 1 13 13 ASN C C 13 178.941 178.941 178.249 0.692 18087 3605 1 8 . 1 1 13 13 ASN CA C 13 56.339 56.339 57.168 -0.829 18087 3606 1 8 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.594 -0.500 18087 3607 1 8 . 1 1 13 13 ASN H H 13 9.125 9.125 8.767 0.358 18087 3608 1 8 . 1 1 14 14 VAL N N 14 120.868 120.868 120.222 0.646 18087 3609 1 8 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.768 0.099 18087 3610 1 8 . 1 1 14 14 VAL C C 14 177.827 177.827 177.633 0.194 18087 3611 1 8 . 1 1 14 14 VAL CA C 14 66.715 66.715 66.901 -0.186 18087 3612 1 8 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.642 0.260 18087 3613 1 8 . 1 1 14 14 VAL H H 14 8.965 8.965 8.088 0.877 18087 3614 1 8 . 1 1 15 15 PHE N N 15 117.672 117.672 121.925 -4.253 18087 3615 1 8 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.836 -0.390 18087 3616 1 8 . 1 1 15 15 PHE C C 15 177.713 177.713 177.745 -0.032 18087 3617 1 8 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.159 0.282 18087 3618 1 8 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.117 0.064 18087 3619 1 8 . 1 1 15 15 PHE H H 15 6.968 6.968 9.015 -2.047 18087 3620 1 8 . 1 1 16 16 HIS N N 16 115.122 115.122 118.522 -3.400 18087 3621 1 8 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.445 -0.076 18087 3622 1 8 . 1 1 16 16 HIS C C 16 176.987 176.987 177.783 -0.796 18087 3623 1 8 . 1 1 16 16 HIS CA C 16 58.413 58.413 57.307 1.106 18087 3624 1 8 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.054 -0.794 18087 3625 1 8 . 1 1 16 16 HIS H H 16 8.020 8.020 9.165 -1.145 18087 3626 1 8 . 1 1 17 17 ALA N N 17 122.533 122.533 122.608 -0.075 18087 3627 1 8 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.928 0.189 18087 3628 1 8 . 1 1 17 17 ALA CA C 17 54.064 54.064 55.036 -0.972 18087 3629 1 8 . 1 1 17 17 ALA CB C 17 17.908 17.908 17.963 -0.055 18087 3630 1 8 . 1 1 17 17 ALA H H 17 8.282 8.282 8.323 -0.042 18087 3631 1 8 . 1 1 18 18 HIS N N 18 113.127 113.127 115.974 -2.847 18087 3632 1 8 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.355 0.053 18087 3633 1 8 . 1 1 18 18 HIS CA C 18 57.248 57.248 58.678 -1.430 18087 3634 1 8 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.591 1.671 18087 3635 1 8 . 1 1 18 18 HIS H H 18 7.124 7.124 8.141 -1.017 18087 3636 1 8 . 1 1 19 19 SER HA H 19 3.963 3.963 4.171 -0.208 18087 3637 1 8 . 1 1 19 19 SER CA C 19 59.969 59.969 62.329 -2.360 18087 3638 1 8 . 1 1 19 19 SER CB C 19 62.416 62.416 62.656 -0.240 18087 3639 1 8 . 1 1 20 20 GLY N N 20 107.243 107.243 109.025 -1.782 18087 3640 1 8 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.634 -0.520 18087 3641 1 8 . 1 1 20 20 GLY H H 20 7.915 7.915 8.516 -0.601 18087 3642 1 8 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.066 -0.109 18087 3643 1 8 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.410 -0.366 18087 3644 1 8 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.207 -0.270 18087 3645 1 8 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.286 -0.244 18087 3646 1 8 . 1 1 22 22 GLU CA C 22 58.755 58.755 57.263 1.492 18087 3647 1 8 . 1 1 22 22 GLU CB C 22 30.184 30.184 30.492 -0.308 18087 3648 1 8 . 1 1 23 23 GLY N N 23 111.113 111.113 108.961 2.152 18087 3649 1 8 . 1 1 23 23 GLY CA C 23 46.790 46.790 45.052 1.738 18087 3650 1 8 . 1 1 23 23 GLY H H 23 8.435 8.435 8.266 0.169 18087 3651 1 8 . 1 1 24 24 ASP N N 24 123.994 123.994 121.217 2.777 18087 3652 1 8 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.376 0.120 18087 3653 1 8 . 1 1 24 24 ASP CA C 24 54.286 54.286 55.909 -1.623 18087 3654 1 8 . 1 1 24 24 ASP CB C 24 42.002 42.002 41.153 0.849 18087 3655 1 8 . 1 1 24 24 ASP H H 24 8.501 8.501 9.154 -0.653 18087 3656 1 8 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.092 0.350 18087 3657 1 8 . 1 1 25 25 LYS CA C 25 56.523 56.523 56.736 -0.213 18087 3658 1 8 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.582 0.689 18087 3659 1 8 . 1 1 26 26 TYR N N 26 119.967 119.967 118.045 1.922 18087 3660 1 8 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.891 -0.099 18087 3661 1 8 . 1 1 26 26 TYR CA C 26 57.019 57.019 57.424 -0.405 18087 3662 1 8 . 1 1 26 26 TYR CB C 26 38.431 38.431 39.939 -1.508 18087 3663 1 8 . 1 1 26 26 TYR H H 26 8.712 8.712 7.129 1.583 18087 3664 1 8 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.949 0.350 18087 3665 1 8 . 1 1 27 27 LYS C C 27 174.308 174.308 173.885 0.423 18087 3666 1 8 . 1 1 27 27 LYS CA C 27 54.365 54.365 55.606 -1.241 18087 3667 1 8 . 1 1 27 27 LYS CB C 27 37.394 37.394 36.967 0.427 18087 3668 1 8 . 1 1 28 28 LEU N N 28 121.194 121.194 122.699 -1.505 18087 3669 1 8 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.575 0.145 18087 3670 1 8 . 1 1 28 28 LEU C C 28 178.895 178.895 174.480 4.415 18087 3671 1 8 . 1 1 28 28 LEU CA C 28 52.968 52.968 53.022 -0.054 18087 3672 1 8 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.100 1.111 18087 3673 1 8 . 1 1 28 28 LEU H H 28 8.632 8.632 8.538 0.094 18087 3674 1 8 . 1 1 29 29 SER N N 29 119.705 119.705 121.409 -1.704 18087 3675 1 8 . 1 1 29 29 SER HA H 29 4.987 4.987 4.634 0.353 18087 3676 1 8 . 1 1 29 29 SER C C 29 175.742 175.742 175.245 0.497 18087 3677 1 8 . 1 1 29 29 SER CA C 29 57.873 57.873 57.612 0.261 18087 3678 1 8 . 1 1 29 29 SER CB C 29 64.531 64.531 64.876 -0.345 18087 3679 1 8 . 1 1 29 29 SER H H 29 8.901 8.901 8.788 0.113 18087 3680 1 8 . 1 1 30 30 LYS N N 30 124.208 124.208 122.243 1.965 18087 3681 1 8 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.143 -0.329 18087 3682 1 8 . 1 1 30 30 LYS C C 30 178.469 178.469 178.286 0.183 18087 3683 1 8 . 1 1 30 30 LYS CA C 30 61.433 61.433 58.312 3.121 18087 3684 1 8 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.819 0.450 18087 3685 1 8 . 1 1 30 30 LYS H H 30 8.836 8.836 8.894 -0.058 18087 3686 1 8 . 1 1 31 31 LYS N N 31 119.570 119.570 119.175 0.395 18087 3687 1 8 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.020 0.026 18087 3688 1 8 . 1 1 31 31 LYS C C 31 179.409 179.409 178.170 1.239 18087 3689 1 8 . 1 1 31 31 LYS CA C 31 59.223 59.223 59.860 -0.637 18087 3690 1 8 . 1 1 31 31 LYS CB C 31 32.386 32.386 32.159 0.227 18087 3691 1 8 . 1 1 31 31 LYS H H 31 8.597 8.597 8.263 0.334 18087 3692 1 8 . 1 1 32 32 GLU N N 32 119.551 119.551 117.120 2.431 18087 3693 1 8 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.336 -0.290 18087 3694 1 8 . 1 1 32 32 GLU CA C 32 58.998 58.998 57.198 1.800 18087 3695 1 8 . 1 1 32 32 GLU CB C 32 28.470 28.470 30.135 -1.665 18087 3696 1 8 . 1 1 32 32 GLU H H 32 7.442 7.442 7.572 -0.130 18087 3697 1 8 . 1 1 33 33 LEU N N 33 121.725 121.725 121.804 -0.079 18087 3698 1 8 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.894 0.174 18087 3699 1 8 . 1 1 33 33 LEU C C 33 177.279 177.279 177.860 -0.581 18087 3700 1 8 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.564 -1.168 18087 3701 1 8 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.575 -0.990 18087 3702 1 8 . 1 1 33 33 LEU H H 33 8.579 8.579 7.659 0.920 18087 3703 1 8 . 1 1 34 34 LYS N N 34 120.543 120.543 117.591 2.952 18087 3704 1 8 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.975 -0.339 18087 3705 1 8 . 1 1 34 34 LYS C C 34 177.868 177.868 178.599 -0.731 18087 3706 1 8 . 1 1 34 34 LYS CA C 34 60.704 60.704 59.608 1.096 18087 3707 1 8 . 1 1 34 34 LYS CB C 34 31.870 31.870 31.715 0.155 18087 3708 1 8 . 1 1 34 34 LYS H H 34 8.618 8.618 7.678 0.940 18087 3709 1 8 . 1 1 35 35 GLU N N 35 117.340 117.340 120.651 -3.311 18087 3710 1 8 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.056 -0.049 18087 3711 1 8 . 1 1 35 35 GLU C C 35 179.008 179.008 179.310 -0.302 18087 3712 1 8 . 1 1 35 35 GLU CA C 35 59.366 59.366 58.987 0.379 18087 3713 1 8 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.464 -0.269 18087 3714 1 8 . 1 1 35 35 GLU H H 35 7.713 7.713 7.995 -0.282 18087 3715 1 8 . 1 1 36 36 LEU N N 36 122.745 122.745 124.028 -1.283 18087 3716 1 8 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.151 -0.138 18087 3717 1 8 . 1 1 36 36 LEU C C 36 178.646 178.646 178.541 0.105 18087 3718 1 8 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.024 0.352 18087 3719 1 8 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.287 0.601 18087 3720 1 8 . 1 1 36 36 LEU H H 36 8.150 8.150 8.756 -0.606 18087 3721 1 8 . 1 1 37 37 LEU N N 37 118.881 118.881 119.692 -0.811 18087 3722 1 8 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.043 -0.295 18087 3723 1 8 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.779 -0.418 18087 3724 1 8 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.216 0.197 18087 3725 1 8 . 1 1 37 37 LEU H H 37 8.495 8.495 8.732 -0.237 18087 3726 1 8 . 1 1 38 38 GLN N N 38 115.311 115.311 116.893 -1.582 18087 3727 1 8 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.055 -0.266 18087 3728 1 8 . 1 1 38 38 GLN C C 38 177.826 177.826 178.170 -0.344 18087 3729 1 8 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.577 0.283 18087 3730 1 8 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.071 0.250 18087 3731 1 8 . 1 1 38 38 GLN H H 38 8.348 8.348 7.804 0.544 18087 3732 1 8 . 1 1 39 39 THR N N 39 112.151 112.151 116.314 -4.163 18087 3733 1 8 . 1 1 39 39 THR HA H 39 4.186 4.186 4.050 0.136 18087 3734 1 8 . 1 1 39 39 THR C C 39 177.166 177.166 177.305 -0.139 18087 3735 1 8 . 1 1 39 39 THR CA C 39 65.284 65.284 66.670 -1.386 18087 3736 1 8 . 1 1 39 39 THR CB C 39 69.179 69.179 68.711 0.468 18087 3737 1 8 . 1 1 39 39 THR H H 39 7.872 7.872 8.256 -0.384 18087 3738 1 8 . 1 1 40 40 GLU N N 40 119.602 119.602 122.206 -2.604 18087 3739 1 8 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.317 0.049 18087 3740 1 8 . 1 1 40 40 GLU C C 40 178.228 178.228 178.915 -0.687 18087 3741 1 8 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.415 0.208 18087 3742 1 8 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.686 1.248 18087 3743 1 8 . 1 1 40 40 GLU H H 40 8.713 8.713 8.831 -0.118 18087 3744 1 8 . 1 1 41 41 LEU N N 41 118.018 118.018 121.427 -3.409 18087 3745 1 8 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.676 0.456 18087 3746 1 8 . 1 1 41 41 LEU C C 41 176.993 176.993 176.604 0.389 18087 3747 1 8 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.722 -0.903 18087 3748 1 8 . 1 1 41 41 LEU CB C 41 41.962 41.962 40.401 1.561 18087 3749 1 8 . 1 1 41 41 LEU H H 41 8.243 8.243 8.450 -0.207 18087 3750 1 8 . 1 1 42 42 SER N N 42 114.483 114.483 117.496 -3.013 18087 3751 1 8 . 1 1 42 42 SER HA H 42 3.950 3.950 4.321 -0.371 18087 3752 1 8 . 1 1 42 42 SER C C 42 176.651 176.651 176.899 -0.248 18087 3753 1 8 . 1 1 42 42 SER CA C 42 62.225 62.225 62.205 0.020 18087 3754 1 8 . 1 1 42 42 SER CB C 42 62.675 62.675 62.903 -0.228 18087 3755 1 8 . 1 1 42 42 SER H H 42 7.019 7.019 7.654 -0.635 18087 3756 1 8 . 1 1 43 43 GLY N N 43 109.381 109.381 109.026 0.355 18087 3757 1 8 . 1 1 43 43 GLY C C 43 176.476 176.476 175.785 0.691 18087 3758 1 8 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.625 0.394 18087 3759 1 8 . 1 1 43 43 GLY H H 43 8.666 8.666 8.724 -0.058 18087 3760 1 8 . 1 1 44 44 PHE N N 44 124.390 124.390 120.803 3.587 18087 3761 1 8 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.291 0.036 18087 3762 1 8 . 1 1 44 44 PHE C C 44 176.516 176.516 177.204 -0.688 18087 3763 1 8 . 1 1 44 44 PHE CA C 44 60.094 60.094 60.683 -0.589 18087 3764 1 8 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.745 0.479 18087 3765 1 8 . 1 1 44 44 PHE H H 44 8.226 8.226 7.650 0.576 18087 3766 1 8 . 1 1 45 45 LEU N N 45 117.156 117.156 120.781 -3.625 18087 3767 1 8 . 1 1 45 45 LEU HA H 45 3.418 3.418 3.926 -0.508 18087 3768 1 8 . 1 1 45 45 LEU C C 45 179.673 179.673 177.464 2.209 18087 3769 1 8 . 1 1 45 45 LEU CA C 45 57.522 57.522 57.949 -0.427 18087 3770 1 8 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.826 -1.212 18087 3771 1 8 . 1 1 45 45 LEU H H 45 8.627 8.627 8.792 -0.165 18087 3772 1 8 . 1 1 46 46 ASP N N 46 117.663 117.663 117.661 0.002 18087 3773 1 8 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.350 -0.005 18087 3774 1 8 . 1 1 46 46 ASP C C 46 177.844 177.844 178.879 -1.035 18087 3775 1 8 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.021 -0.237 18087 3776 1 8 . 1 1 46 46 ASP CB C 46 41.130 41.130 41.147 -0.017 18087 3777 1 8 . 1 1 46 46 ASP H H 46 7.933 7.933 7.866 0.067 18087 3778 1 8 . 1 1 47 47 ALA N N 47 119.795 119.795 122.062 -2.267 18087 3779 1 8 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.014 0.189 18087 3780 1 8 . 1 1 47 47 ALA C C 47 179.300 179.300 178.616 0.684 18087 3781 1 8 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.498 -1.137 18087 3782 1 8 . 1 1 47 47 ALA CB C 47 19.011 19.011 18.893 0.118 18087 3783 1 8 . 1 1 47 47 ALA H H 47 7.380 7.380 7.897 -0.517 18087 3784 1 8 . 1 1 48 48 GLN N N 48 115.955 115.955 115.282 0.673 18087 3785 1 8 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.361 -0.091 18087 3786 1 8 . 1 1 48 48 GLN C C 48 175.355 175.355 176.756 -1.401 18087 3787 1 8 . 1 1 48 48 GLN CA C 48 54.026 54.026 54.047 -0.021 18087 3788 1 8 . 1 1 48 48 GLN CB C 48 28.560 28.560 26.968 1.592 18087 3789 1 8 . 1 1 48 48 GLN H H 48 7.369 7.369 7.709 -0.340 18087 3790 1 8 . 1 1 49 49 LYS N N 49 119.402 119.402 121.451 -2.049 18087 3791 1 8 . 1 1 49 49 LYS HA H 49 4.016 4.016 3.933 0.083 18087 3792 1 8 . 1 1 49 49 LYS C C 49 176.255 176.255 177.159 -0.904 18087 3793 1 8 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.969 -1.785 18087 3794 1 8 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.270 -0.168 18087 3795 1 8 . 1 1 49 49 LYS H H 49 7.152 7.152 7.293 -0.141 18087 3796 1 8 . 1 1 50 50 ASP N N 50 117.172 117.172 115.499 1.673 18087 3797 1 8 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.506 0.089 18087 3798 1 8 . 1 1 50 50 ASP C C 50 175.916 175.916 176.308 -0.392 18087 3799 1 8 . 1 1 50 50 ASP CA C 50 54.217 54.217 55.424 -1.207 18087 3800 1 8 . 1 1 50 50 ASP CB C 50 40.309 40.309 40.993 -0.684 18087 3801 1 8 . 1 1 50 50 ASP H H 50 8.338 8.338 8.363 -0.025 18087 3802 1 8 . 1 1 51 51 VAL N N 51 121.648 121.648 120.911 0.737 18087 3803 1 8 . 1 1 51 51 VAL HA H 51 3.997 3.997 4.009 -0.012 18087 3804 1 8 . 1 1 51 51 VAL C C 51 177.128 177.128 176.727 0.401 18087 3805 1 8 . 1 1 51 51 VAL CA C 51 62.404 62.404 61.932 0.472 18087 3806 1 8 . 1 1 51 51 VAL CB C 51 31.921 31.921 30.835 1.085 18087 3807 1 8 . 1 1 51 51 VAL H H 51 7.604 7.604 7.305 0.299 18087 3808 1 8 . 1 1 52 52 ASP N N 52 129.202 129.202 129.848 -0.646 18087 3809 1 8 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.182 0.091 18087 3810 1 8 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.729 0.454 18087 3811 1 8 . 1 1 52 52 ASP CB C 52 40.935 40.935 41.158 -0.223 18087 3812 1 8 . 1 1 52 52 ASP H H 52 8.702 8.702 8.525 0.177 18087 3813 1 8 . 1 1 53 53 ALA N N 53 118.401 118.401 121.541 -3.140 18087 3814 1 8 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.056 -0.044 18087 3815 1 8 . 1 1 53 53 ALA C C 53 179.448 179.448 179.442 0.006 18087 3816 1 8 . 1 1 53 53 ALA CA C 53 55.053 55.053 54.762 0.291 18087 3817 1 8 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.312 1.052 18087 3818 1 8 . 1 1 53 53 ALA H H 53 8.478 8.478 8.246 0.232 18087 3819 1 8 . 1 1 54 54 VAL N N 54 115.050 115.050 119.113 -4.063 18087 3820 1 8 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.626 -0.084 18087 3821 1 8 . 1 1 54 54 VAL C C 54 177.000 177.000 177.268 -0.268 18087 3822 1 8 . 1 1 54 54 VAL CA C 54 65.220 65.220 67.061 -1.841 18087 3823 1 8 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.994 0.064 18087 3824 1 8 . 1 1 54 54 VAL H H 54 6.988 6.988 8.736 -1.748 18087 3825 1 8 . 1 1 55 55 ASP N N 55 120.834 120.834 119.210 1.624 18087 3826 1 8 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.316 -0.038 18087 3827 1 8 . 1 1 55 55 ASP C C 55 178.307 178.307 178.593 -0.286 18087 3828 1 8 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.685 -0.062 18087 3829 1 8 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.757 1.020 18087 3830 1 8 . 1 1 55 55 ASP H H 55 8.157 8.157 7.829 0.328 18087 3831 1 8 . 1 1 56 56 LYS N N 56 115.672 115.672 120.206 -4.534 18087 3832 1 8 . 1 1 56 56 LYS HA H 56 3.888 3.888 3.956 -0.068 18087 3833 1 8 . 1 1 56 56 LYS C C 56 179.372 179.372 178.869 0.503 18087 3834 1 8 . 1 1 56 56 LYS CA C 56 59.608 59.608 59.893 -0.285 18087 3835 1 8 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.484 -0.106 18087 3836 1 8 . 1 1 56 56 LYS H H 56 8.348 8.348 7.572 0.776 18087 3837 1 8 . 1 1 57 57 VAL N N 57 118.238 118.238 121.560 -3.322 18087 3838 1 8 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.742 -0.013 18087 3839 1 8 . 1 1 57 57 VAL C C 57 177.541 177.541 178.382 -0.841 18087 3840 1 8 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.573 -0.871 18087 3841 1 8 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.372 0.546 18087 3842 1 8 . 1 1 57 57 VAL H H 57 7.003 7.003 8.862 -1.859 18087 3843 1 8 . 1 1 58 58 MET N N 58 115.998 115.998 117.520 -1.522 18087 3844 1 8 . 1 1 58 58 MET HA H 58 4.313 4.313 4.061 0.252 18087 3845 1 8 . 1 1 58 58 MET C C 58 179.857 179.857 178.652 1.205 18087 3846 1 8 . 1 1 58 58 MET CA C 58 56.717 56.717 58.812 -2.095 18087 3847 1 8 . 1 1 58 58 MET CB C 58 32.366 32.366 31.589 0.777 18087 3848 1 8 . 1 1 58 58 MET H H 58 7.836 7.836 8.229 -0.393 18087 3849 1 8 . 1 1 59 59 LYS N N 59 119.682 119.682 120.796 -1.114 18087 3850 1 8 . 1 1 59 59 LYS HA H 59 4.088 4.088 3.975 0.113 18087 3851 1 8 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.791 -0.349 18087 3852 1 8 . 1 1 59 59 LYS CB C 59 32.504 32.504 32.463 0.041 18087 3853 1 8 . 1 1 59 59 LYS H H 59 8.619 8.619 8.250 0.369 18087 3854 1 8 . 1 1 60 60 GLU N N 60 119.917 119.917 120.155 -0.238 18087 3855 1 8 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.195 -0.259 18087 3856 1 8 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.492 -0.252 18087 3857 1 8 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.664 0.425 18087 3858 1 8 . 1 1 60 60 GLU H H 60 7.721 7.721 8.912 -1.191 18087 3859 1 8 . 1 1 61 61 LEU N N 61 116.614 116.614 119.501 -2.887 18087 3860 1 8 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.071 -0.048 18087 3861 1 8 . 1 1 61 61 LEU C C 61 175.845 175.845 179.027 -3.182 18087 3862 1 8 . 1 1 61 61 LEU CA C 61 56.515 56.515 57.999 -1.484 18087 3863 1 8 . 1 1 61 61 LEU CB C 61 41.218 41.218 40.934 0.283 18087 3864 1 8 . 1 1 61 61 LEU H H 61 7.429 7.429 8.016 -0.587 18087 3865 1 8 . 1 1 62 62 ASP N N 62 116.147 116.147 120.248 -4.101 18087 3866 1 8 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.361 0.162 18087 3867 1 8 . 1 1 62 62 ASP C C 62 177.790 177.790 178.778 -0.988 18087 3868 1 8 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.583 -2.157 18087 3869 1 8 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.806 1.074 18087 3870 1 8 . 1 1 62 62 ASP H H 62 7.423 7.423 7.985 -0.562 18087 3871 1 8 . 1 1 63 63 GLU N N 63 119.660 119.660 119.421 0.239 18087 3872 1 8 . 1 1 63 63 GLU HA H 63 4.136 4.136 3.998 0.138 18087 3873 1 8 . 1 1 63 63 GLU CA C 63 57.377 57.377 59.254 -1.877 18087 3874 1 8 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.660 0.329 18087 3875 1 8 . 1 1 63 63 GLU H H 63 7.837 7.837 8.509 -0.672 18087 3876 1 8 . 1 1 64 64 ASN N N 64 118.376 118.376 117.694 0.682 18087 3877 1 8 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.590 0.272 18087 3878 1 8 . 1 1 64 64 ASN C C 64 176.216 176.216 177.876 -1.660 18087 3879 1 8 . 1 1 64 64 ASN CA C 64 52.688 52.688 54.764 -2.076 18087 3880 1 8 . 1 1 64 64 ASN CB C 64 38.185 38.185 38.938 -0.752 18087 3881 1 8 . 1 1 64 64 ASN H H 64 8.012 8.012 8.171 -0.159 18087 3882 1 8 . 1 1 65 65 GLY N N 65 107.248 107.248 107.967 -0.719 18087 3883 1 8 . 1 1 65 65 GLY C C 65 173.971 173.971 173.863 0.108 18087 3884 1 8 . 1 1 65 65 GLY CA C 65 47.136 47.136 44.811 2.325 18087 3885 1 8 . 1 1 65 65 GLY H H 65 7.989 7.989 8.653 -0.664 18087 3886 1 8 . 1 1 66 66 ASP N N 66 116.989 116.989 121.990 -5.001 18087 3887 1 8 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.415 0.373 18087 3888 1 8 . 1 1 66 66 ASP C C 66 177.289 177.289 177.354 -0.065 18087 3889 1 8 . 1 1 66 66 ASP CA C 66 54.166 54.166 57.120 -2.954 18087 3890 1 8 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.132 -0.145 18087 3891 1 8 . 1 1 66 66 ASP H H 66 8.233 8.233 8.603 -0.370 18087 3892 1 8 . 1 1 67 67 GLY N N 67 108.642 108.642 106.985 1.657 18087 3893 1 8 . 1 1 67 67 GLY C C 67 172.757 172.757 173.726 -0.969 18087 3894 1 8 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.715 -0.499 18087 3895 1 8 . 1 1 67 67 GLY H H 67 8.274 8.274 8.403 -0.129 18087 3896 1 8 . 1 1 68 68 GLU N N 68 118.614 118.614 117.049 1.565 18087 3897 1 8 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.577 0.378 18087 3898 1 8 . 1 1 68 68 GLU C C 68 175.881 175.881 174.037 1.844 18087 3899 1 8 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.769 -0.404 18087 3900 1 8 . 1 1 68 68 GLU CB C 68 33.488 33.488 33.118 0.370 18087 3901 1 8 . 1 1 68 68 GLU H H 68 8.404 8.404 7.724 0.680 18087 3902 1 8 . 1 1 69 69 VAL N N 69 117.572 117.572 120.790 -3.218 18087 3903 1 8 . 1 1 69 69 VAL HA H 69 4.765 4.765 5.198 -0.433 18087 3904 1 8 . 1 1 69 69 VAL C C 69 174.820 174.820 173.852 0.968 18087 3905 1 8 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.697 0.254 18087 3906 1 8 . 1 1 69 69 VAL CB C 69 34.352 34.352 35.561 -1.209 18087 3907 1 8 . 1 1 69 69 VAL H H 69 9.167 9.167 9.029 0.138 18087 3908 1 8 . 1 1 70 70 ASP N N 70 122.616 122.616 128.887 -6.271 18087 3909 1 8 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.176 0.038 18087 3910 1 8 . 1 1 70 70 ASP C C 70 175.822 175.822 176.510 -0.688 18087 3911 1 8 . 1 1 70 70 ASP CA C 70 51.376 51.376 51.869 -0.493 18087 3912 1 8 . 1 1 70 70 ASP CB C 70 42.192 42.192 44.129 -1.937 18087 3913 1 8 . 1 1 70 70 ASP H H 70 8.292 8.292 9.249 -0.957 18087 3914 1 8 . 1 1 71 71 PHE N N 71 119.243 119.243 120.230 -0.987 18087 3915 1 8 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.541 -0.790 18087 3916 1 8 . 1 1 71 71 PHE C C 71 176.387 176.387 176.850 -0.463 18087 3917 1 8 . 1 1 71 71 PHE CA C 71 62.965 62.965 62.155 0.810 18087 3918 1 8 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.047 0.094 18087 3919 1 8 . 1 1 71 71 PHE H H 71 8.889 8.889 8.658 0.231 18087 3920 1 8 . 1 1 72 72 GLN N N 72 116.655 116.655 117.058 -0.403 18087 3921 1 8 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.786 -0.078 18087 3922 1 8 . 1 1 72 72 GLN C C 72 177.102 177.102 178.436 -1.334 18087 3923 1 8 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.250 0.025 18087 3924 1 8 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.457 -0.290 18087 3925 1 8 . 1 1 72 72 GLN H H 72 8.021 8.021 8.891 -0.870 18087 3926 1 8 . 1 1 73 73 GLU N N 73 119.195 119.195 120.083 -0.888 18087 3927 1 8 . 1 1 73 73 GLU HA H 73 4.493 4.493 3.992 0.501 18087 3928 1 8 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.416 -4.237 18087 3929 1 8 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.695 2.119 18087 3930 1 8 . 1 1 73 73 GLU H H 73 8.066 8.066 7.789 0.277 18087 3931 1 8 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.166 -0.080 18087 3932 1 8 . 1 1 74 74 TYR CA C 74 60.497 60.497 61.003 -0.506 18087 3933 1 8 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.605 -0.779 18087 3934 1 8 . 1 1 75 75 VAL N N 75 120.072 120.072 116.899 3.173 18087 3935 1 8 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.171 -0.188 18087 3936 1 8 . 1 1 75 75 VAL C C 75 177.295 177.295 177.676 -0.381 18087 3937 1 8 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.035 0.657 18087 3938 1 8 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.024 0.594 18087 3939 1 8 . 1 1 75 75 VAL H H 75 8.291 8.291 8.217 0.074 18087 3940 1 8 . 1 1 76 76 VAL N N 76 121.367 121.367 120.632 0.735 18087 3941 1 8 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.655 -0.135 18087 3942 1 8 . 1 1 76 76 VAL C C 76 178.847 178.847 177.374 1.473 18087 3943 1 8 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.754 0.799 18087 3944 1 8 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.350 0.038 18087 3945 1 8 . 1 1 76 76 VAL H H 76 7.571 7.571 7.406 0.165 18087 3946 1 8 . 1 1 77 77 LEU N N 77 123.054 123.054 121.159 1.895 18087 3947 1 8 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.986 0.143 18087 3948 1 8 . 1 1 77 77 LEU C C 77 179.065 179.065 178.006 1.059 18087 3949 1 8 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.356 0.136 18087 3950 1 8 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.519 -0.223 18087 3951 1 8 . 1 1 77 77 LEU H H 77 7.360 7.360 7.602 -0.242 18087 3952 1 8 . 1 1 78 78 VAL N N 78 119.163 119.163 116.461 2.702 18087 3953 1 8 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.599 -0.326 18087 3954 1 8 . 1 1 78 78 VAL C C 78 180.217 180.217 177.694 2.523 18087 3955 1 8 . 1 1 78 78 VAL CA C 78 67.270 67.270 66.471 0.799 18087 3956 1 8 . 1 1 78 78 VAL CB C 78 31.181 31.181 30.941 0.240 18087 3957 1 8 . 1 1 78 78 VAL H H 78 8.192 8.192 7.653 0.539 18087 3958 1 8 . 1 1 79 79 ALA N N 79 125.884 125.884 122.743 3.141 18087 3959 1 8 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.825 -0.028 18087 3960 1 8 . 1 1 79 79 ALA C C 79 178.708 178.708 178.989 -0.281 18087 3961 1 8 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.140 0.751 18087 3962 1 8 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.670 -0.307 18087 3963 1 8 . 1 1 79 79 ALA H H 79 9.067 9.067 8.623 0.444 18087 3964 1 8 . 1 1 80 80 ALA N N 80 121.108 121.108 122.063 -0.955 18087 3965 1 8 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.946 0.178 18087 3966 1 8 . 1 1 80 80 ALA C C 80 182.175 182.175 179.650 2.525 18087 3967 1 8 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.214 0.209 18087 3968 1 8 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.044 -0.375 18087 3969 1 8 . 1 1 80 80 ALA H H 80 7.776 7.776 8.614 -0.838 18087 3970 1 8 . 1 1 81 81 LEU N N 81 118.519 118.519 118.528 -0.009 18087 3971 1 8 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.949 0.169 18087 3972 1 8 . 1 1 81 81 LEU C C 81 177.959 177.959 179.434 -1.475 18087 3973 1 8 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.654 -0.165 18087 3974 1 8 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.667 0.502 18087 3975 1 8 . 1 1 81 81 LEU H H 81 8.097 8.097 7.858 0.239 18087 3976 1 8 . 1 1 82 82 THR N N 82 119.572 119.572 116.190 3.382 18087 3977 1 8 . 1 1 82 82 THR HA H 82 3.777 3.777 3.142 0.635 18087 3978 1 8 . 1 1 82 82 THR C C 82 176.911 176.911 176.431 0.480 18087 3979 1 8 . 1 1 82 82 THR CA C 82 68.058 68.058 67.109 0.949 18087 3980 1 8 . 1 1 82 82 THR CB C 82 67.402 67.402 68.161 -0.759 18087 3981 1 8 . 1 1 82 82 THR H H 82 8.537 8.537 8.351 0.186 18087 3982 1 8 . 1 1 83 83 VAL N N 83 123.805 123.805 121.530 2.275 18087 3983 1 8 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.720 0.010 18087 3984 1 8 . 1 1 83 83 VAL C C 83 177.787 177.787 177.135 0.652 18087 3985 1 8 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.735 1.659 18087 3986 1 8 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.252 0.439 18087 3987 1 8 . 1 1 83 83 VAL H H 83 8.283 8.283 8.679 -0.396 18087 3988 1 8 . 1 1 84 84 ALA N N 84 121.134 121.134 122.324 -1.190 18087 3989 1 8 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.941 0.295 18087 3990 1 8 . 1 1 84 84 ALA C C 84 180.511 180.511 179.745 0.766 18087 3991 1 8 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.045 0.130 18087 3992 1 8 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.325 -0.897 18087 3993 1 8 . 1 1 84 84 ALA H H 84 7.466 7.466 7.875 -0.409 18087 3994 1 8 . 1 1 85 85 MET N N 85 121.755 121.755 117.901 3.854 18087 3995 1 8 . 1 1 85 85 MET HA H 85 3.796 3.796 4.074 -0.278 18087 3996 1 8 . 1 1 85 85 MET CA C 85 59.656 59.656 57.995 1.661 18087 3997 1 8 . 1 1 85 85 MET CB C 85 33.653 33.653 32.351 1.302 18087 3998 1 8 . 1 1 85 85 MET H H 85 8.549 8.549 8.471 0.078 18087 3999 1 8 . 1 1 86 86 ASN N N 86 119.410 119.410 118.659 0.751 18087 4000 1 8 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.712 -0.560 18087 4001 1 8 . 1 1 86 86 ASN C C 86 176.834 176.834 176.783 0.051 18087 4002 1 8 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.091 1.971 18087 4003 1 8 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.203 1.727 18087 4004 1 8 . 1 1 86 86 ASN H H 86 8.615 8.615 8.720 -0.105 18087 4005 1 8 . 1 1 87 87 ASN N N 87 117.077 117.077 118.046 -0.969 18087 4006 1 8 . 1 1 87 87 ASN HA H 87 4.446 4.446 3.221 1.225 18087 4007 1 8 . 1 1 87 87 ASN C C 87 176.906 176.906 176.887 0.019 18087 4008 1 8 . 1 1 87 87 ASN CA C 87 55.602 55.602 55.571 0.031 18087 4009 1 8 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.132 -0.556 18087 4010 1 8 . 1 1 87 87 ASN H H 87 8.286 8.286 7.802 0.484 18087 4011 1 8 . 1 1 88 88 PHE N N 88 119.698 119.698 118.375 1.323 18087 4012 1 8 . 1 1 88 88 PHE HA H 88 4.478 4.478 3.960 0.518 18087 4013 1 8 . 1 1 88 88 PHE C C 88 177.057 177.057 177.531 -0.474 18087 4014 1 8 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.763 -2.217 18087 4015 1 8 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.284 1.327 18087 4016 1 8 . 1 1 88 88 PHE H H 88 7.909 7.909 7.924 -0.015 18087 4017 1 8 . 1 1 89 89 PHE N N 89 116.219 116.219 119.434 -3.215 18087 4018 1 8 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.347 -0.137 18087 4019 1 8 . 1 1 89 89 PHE C C 89 177.637 177.637 178.242 -0.605 18087 4020 1 8 . 1 1 89 89 PHE CA C 89 58.752 58.752 61.265 -2.513 18087 4021 1 8 . 1 1 89 89 PHE CB C 89 39.781 39.781 38.474 1.307 18087 4022 1 8 . 1 1 89 89 PHE H H 89 8.049 8.049 8.151 -0.102 18087 4023 1 8 . 1 1 90 90 TRP N N 90 117.712 117.712 118.690 -0.978 18087 4024 1 8 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.463 0.065 18087 4025 1 8 . 1 1 90 90 TRP C C 90 176.741 176.741 178.316 -1.575 18087 4026 1 8 . 1 1 90 90 TRP CA C 90 58.109 58.109 58.088 0.021 18087 4027 1 8 . 1 1 90 90 TRP CB C 90 29.720 29.720 28.349 1.371 18087 4028 1 8 . 1 1 90 90 TRP H H 90 8.257 8.257 7.582 0.675 18087 4029 1 8 . 1 1 91 91 GLU N N 91 120.493 120.493 116.375 4.118 18087 4030 1 8 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.253 0.175 18087 4031 1 8 . 1 1 91 91 GLU C C 91 176.393 176.393 177.484 -1.091 18087 4032 1 8 . 1 1 91 91 GLU CA C 91 57.193 57.193 58.084 -0.891 18087 4033 1 8 . 1 1 91 91 GLU CB C 91 29.850 29.850 30.188 -0.338 18087 4034 1 8 . 1 1 91 91 GLU H H 91 7.988 7.988 8.267 -0.279 18087 4035 1 8 . 1 1 92 92 ASN N N 92 119.006 119.006 119.289 -0.283 18087 4036 1 8 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.807 -0.020 18087 4037 1 8 . 1 1 92 92 ASN C C 92 174.284 174.284 173.648 0.636 18087 4038 1 8 . 1 1 92 92 ASN CA C 92 53.198 53.198 53.127 0.071 18087 4039 1 8 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.935 0.298 18087 4040 1 8 . 1 1 92 92 ASN H H 92 8.203 8.203 8.257 -0.054 18087 4041 1 9 . 1 1 2 2 SER N N 2 117.254 117.254 116.691 0.563 18087 4042 1 9 . 1 1 2 2 SER HA H 2 4.737 4.737 4.393 0.344 18087 4043 1 9 . 1 1 2 2 SER C C 2 175.320 175.320 175.475 -0.155 18087 4044 1 9 . 1 1 2 2 SER CA C 2 57.476 57.476 57.850 -0.374 18087 4045 1 9 . 1 1 2 2 SER CB C 2 64.594 64.594 64.128 0.466 18087 4046 1 9 . 1 1 2 2 SER H H 2 8.686 8.686 7.773 0.913 18087 4047 1 9 . 1 1 3 3 GLU N N 3 124.640 124.640 121.589 3.051 18087 4048 1 9 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.034 0.074 18087 4049 1 9 . 1 1 3 3 GLU C C 3 178.972 178.972 178.536 0.436 18087 4050 1 9 . 1 1 3 3 GLU CA C 3 60.375 60.375 59.575 0.800 18087 4051 1 9 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.316 0.428 18087 4052 1 9 . 1 1 3 3 GLU H H 3 9.242 9.242 8.814 0.428 18087 4053 1 9 . 1 1 4 4 LEU N N 4 119.682 119.682 120.955 -1.273 18087 4054 1 9 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.126 -0.174 18087 4055 1 9 . 1 1 4 4 LEU C C 4 178.027 178.027 179.024 -0.997 18087 4056 1 9 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.517 -0.339 18087 4057 1 9 . 1 1 4 4 LEU CB C 4 42.308 42.308 40.642 1.666 18087 4058 1 9 . 1 1 4 4 LEU H H 4 8.952 8.952 8.316 0.636 18087 4059 1 9 . 1 1 5 5 GLU N N 5 118.542 118.542 118.795 -0.253 18087 4060 1 9 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.066 -0.274 18087 4061 1 9 . 1 1 5 5 GLU C C 5 178.389 178.389 179.115 -0.726 18087 4062 1 9 . 1 1 5 5 GLU CA C 5 60.051 60.051 59.955 0.096 18087 4063 1 9 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.464 0.519 18087 4064 1 9 . 1 1 5 5 GLU H H 5 7.968 7.968 8.739 -0.771 18087 4065 1 9 . 1 1 6 6 THR N N 6 114.278 114.278 116.941 -2.663 18087 4066 1 9 . 1 1 6 6 THR HA H 6 4.015 4.015 4.058 -0.043 18087 4067 1 9 . 1 1 6 6 THR C C 6 176.990 176.990 176.889 0.101 18087 4068 1 9 . 1 1 6 6 THR CA C 6 66.450 66.450 66.568 -0.118 18087 4069 1 9 . 1 1 6 6 THR CB C 6 68.637 68.637 68.243 0.394 18087 4070 1 9 . 1 1 6 6 THR H H 6 8.177 8.177 8.158 0.019 18087 4071 1 9 . 1 1 7 7 ALA N N 7 126.659 126.659 126.484 0.175 18087 4072 1 9 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.145 0.018 18087 4073 1 9 . 1 1 7 7 ALA C C 7 179.338 179.338 179.561 -0.223 18087 4074 1 9 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.136 0.679 18087 4075 1 9 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.290 -0.106 18087 4076 1 9 . 1 1 7 7 ALA H H 7 8.166 8.166 9.051 -0.885 18087 4077 1 9 . 1 1 8 8 MET N N 8 117.727 117.727 117.321 0.406 18087 4078 1 9 . 1 1 8 8 MET HA H 8 3.731 3.731 4.301 -0.570 18087 4079 1 9 . 1 1 8 8 MET C C 8 178.071 178.071 179.107 -1.036 18087 4080 1 9 . 1 1 8 8 MET CA C 8 60.447 60.447 57.301 3.146 18087 4081 1 9 . 1 1 8 8 MET CB C 8 34.928 34.928 31.433 3.495 18087 4082 1 9 . 1 1 8 8 MET H H 8 8.090 8.090 8.714 -0.624 18087 4083 1 9 . 1 1 9 9 GLU N N 9 117.303 117.303 120.288 -2.985 18087 4084 1 9 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.969 -0.062 18087 4085 1 9 . 1 1 9 9 GLU C C 9 179.261 179.261 179.121 0.140 18087 4086 1 9 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.509 0.521 18087 4087 1 9 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.448 0.051 18087 4088 1 9 . 1 1 9 9 GLU H H 9 8.603 8.603 8.816 -0.213 18087 4089 1 9 . 1 1 10 10 THR N N 10 117.583 117.583 117.810 -0.227 18087 4090 1 9 . 1 1 10 10 THR HA H 10 4.088 4.088 4.037 0.051 18087 4091 1 9 . 1 1 10 10 THR C C 10 175.758 175.758 176.961 -1.203 18087 4092 1 9 . 1 1 10 10 THR CA C 10 67.439 67.439 67.314 0.125 18087 4093 1 9 . 1 1 10 10 THR CB C 10 68.014 68.014 68.697 -0.683 18087 4094 1 9 . 1 1 10 10 THR H H 10 8.483 8.483 8.620 -0.137 18087 4095 1 9 . 1 1 11 11 LEU N N 11 119.623 119.623 121.985 -2.362 18087 4096 1 9 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.369 -0.399 18087 4097 1 9 . 1 1 11 11 LEU C C 11 178.935 178.935 179.612 -0.677 18087 4098 1 9 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.344 0.831 18087 4099 1 9 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.902 -0.041 18087 4100 1 9 . 1 1 11 11 LEU H H 11 8.013 8.013 8.138 -0.125 18087 4101 1 9 . 1 1 12 12 ILE N N 12 119.751 119.751 120.631 -0.880 18087 4102 1 9 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.740 0.253 18087 4103 1 9 . 1 1 12 12 ILE C C 12 177.717 177.717 178.312 -0.595 18087 4104 1 9 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.542 1.206 18087 4105 1 9 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.333 2.933 18087 4106 1 9 . 1 1 12 12 ILE H H 12 7.708 7.708 8.579 -0.871 18087 4107 1 9 . 1 1 13 13 ASN N N 13 121.260 121.260 119.135 2.125 18087 4108 1 9 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.492 0.075 18087 4109 1 9 . 1 1 13 13 ASN C C 13 178.941 178.941 178.074 0.867 18087 4110 1 9 . 1 1 13 13 ASN CA C 13 56.339 56.339 57.122 -0.783 18087 4111 1 9 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.470 -0.376 18087 4112 1 9 . 1 1 13 13 ASN H H 13 9.125 9.125 8.874 0.251 18087 4113 1 9 . 1 1 14 14 VAL N N 14 120.868 120.868 120.530 0.338 18087 4114 1 9 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.829 0.038 18087 4115 1 9 . 1 1 14 14 VAL C C 14 177.827 177.827 178.011 -0.184 18087 4116 1 9 . 1 1 14 14 VAL CA C 14 66.715 66.715 66.953 -0.238 18087 4117 1 9 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.471 0.431 18087 4118 1 9 . 1 1 14 14 VAL H H 14 8.965 8.965 7.789 1.176 18087 4119 1 9 . 1 1 15 15 PHE N N 15 117.672 117.672 121.260 -3.588 18087 4120 1 9 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.856 -0.410 18087 4121 1 9 . 1 1 15 15 PHE C C 15 177.713 177.713 178.066 -0.353 18087 4122 1 9 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.163 0.278 18087 4123 1 9 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.234 -0.053 18087 4124 1 9 . 1 1 15 15 PHE H H 15 6.968 6.968 8.816 -1.848 18087 4125 1 9 . 1 1 16 16 HIS N N 16 115.122 115.122 119.274 -4.152 18087 4126 1 9 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.202 0.167 18087 4127 1 9 . 1 1 16 16 HIS C C 16 176.987 176.987 177.515 -0.528 18087 4128 1 9 . 1 1 16 16 HIS CA C 16 58.413 58.413 60.605 -2.192 18087 4129 1 9 . 1 1 16 16 HIS CB C 16 28.260 28.260 30.183 -1.923 18087 4130 1 9 . 1 1 16 16 HIS H H 16 8.020 8.020 9.408 -1.388 18087 4131 1 9 . 1 1 17 17 ALA N N 17 122.533 122.533 121.876 0.657 18087 4132 1 9 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.948 0.169 18087 4133 1 9 . 1 1 17 17 ALA CA C 17 54.064 54.064 54.972 -0.908 18087 4134 1 9 . 1 1 17 17 ALA CB C 17 17.908 17.908 18.081 -0.173 18087 4135 1 9 . 1 1 17 17 ALA H H 17 8.282 8.282 8.694 -0.412 18087 4136 1 9 . 1 1 18 18 HIS N N 18 113.127 113.127 115.017 -1.890 18087 4137 1 9 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.407 0.001 18087 4138 1 9 . 1 1 18 18 HIS CA C 18 57.248 57.248 58.619 -1.371 18087 4139 1 9 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.896 1.366 18087 4140 1 9 . 1 1 18 18 HIS H H 18 7.124 7.124 8.273 -1.149 18087 4141 1 9 . 1 1 19 19 SER HA H 19 3.963 3.963 4.195 -0.232 18087 4142 1 9 . 1 1 19 19 SER CA C 19 59.969 59.969 61.723 -1.754 18087 4143 1 9 . 1 1 19 19 SER CB C 19 62.416 62.416 62.457 -0.041 18087 4144 1 9 . 1 1 20 20 GLY N N 20 107.243 107.243 108.031 -0.788 18087 4145 1 9 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.322 -0.208 18087 4146 1 9 . 1 1 20 20 GLY H H 20 7.915 7.915 8.103 -0.188 18087 4147 1 9 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.129 -0.172 18087 4148 1 9 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.048 -0.003 18087 4149 1 9 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.135 -0.198 18087 4150 1 9 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.269 -0.227 18087 4151 1 9 . 1 1 22 22 GLU CA C 22 58.755 58.755 57.618 1.137 18087 4152 1 9 . 1 1 22 22 GLU CB C 22 30.184 30.184 29.998 0.186 18087 4153 1 9 . 1 1 23 23 GLY N N 23 111.113 111.113 107.857 3.256 18087 4154 1 9 . 1 1 23 23 GLY CA C 23 46.790 46.790 44.689 2.101 18087 4155 1 9 . 1 1 23 23 GLY H H 23 8.435 8.435 7.902 0.533 18087 4156 1 9 . 1 1 24 24 ASP N N 24 123.994 123.994 122.240 1.754 18087 4157 1 9 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.575 -0.079 18087 4158 1 9 . 1 1 24 24 ASP CA C 24 54.286 54.286 53.892 0.394 18087 4159 1 9 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.575 -0.573 18087 4160 1 9 . 1 1 24 24 ASP H H 24 8.501 8.501 8.908 -0.407 18087 4161 1 9 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.063 0.379 18087 4162 1 9 . 1 1 25 25 LYS CA C 25 56.523 56.523 58.072 -1.549 18087 4163 1 9 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.630 0.641 18087 4164 1 9 . 1 1 26 26 TYR N N 26 119.967 119.967 115.005 4.962 18087 4165 1 9 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.500 0.292 18087 4166 1 9 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.541 0.478 18087 4167 1 9 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.979 -0.548 18087 4168 1 9 . 1 1 26 26 TYR H H 26 8.712 8.712 8.418 0.294 18087 4169 1 9 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.954 0.345 18087 4170 1 9 . 1 1 27 27 LYS C C 27 174.308 174.308 173.506 0.802 18087 4171 1 9 . 1 1 27 27 LYS CA C 27 54.365 54.365 54.667 -0.302 18087 4172 1 9 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.516 -0.122 18087 4173 1 9 . 1 1 28 28 LEU N N 28 121.194 121.194 123.192 -1.998 18087 4174 1 9 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.542 0.178 18087 4175 1 9 . 1 1 28 28 LEU C C 28 178.895 178.895 174.835 4.060 18087 4176 1 9 . 1 1 28 28 LEU CA C 28 52.968 52.968 52.840 0.128 18087 4177 1 9 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.173 1.038 18087 4178 1 9 . 1 1 28 28 LEU H H 28 8.632 8.632 9.115 -0.483 18087 4179 1 9 . 1 1 29 29 SER N N 29 119.705 119.705 122.093 -2.388 18087 4180 1 9 . 1 1 29 29 SER HA H 29 4.987 4.987 4.653 0.334 18087 4181 1 9 . 1 1 29 29 SER C C 29 175.742 175.742 175.327 0.415 18087 4182 1 9 . 1 1 29 29 SER CA C 29 57.873 57.873 57.790 0.083 18087 4183 1 9 . 1 1 29 29 SER CB C 29 64.531 64.531 64.720 -0.189 18087 4184 1 9 . 1 1 29 29 SER H H 29 8.901 8.901 8.893 0.008 18087 4185 1 9 . 1 1 30 30 LYS N N 30 124.208 124.208 123.346 0.862 18087 4186 1 9 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.139 -0.325 18087 4187 1 9 . 1 1 30 30 LYS C C 30 178.469 178.469 178.600 -0.131 18087 4188 1 9 . 1 1 30 30 LYS CA C 30 61.433 61.433 58.566 2.867 18087 4189 1 9 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.565 0.704 18087 4190 1 9 . 1 1 30 30 LYS H H 30 8.836 8.836 8.949 -0.113 18087 4191 1 9 . 1 1 31 31 LYS N N 31 119.570 119.570 119.374 0.196 18087 4192 1 9 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.029 0.017 18087 4193 1 9 . 1 1 31 31 LYS C C 31 179.409 179.409 178.256 1.153 18087 4194 1 9 . 1 1 31 31 LYS CA C 31 59.223 59.223 60.110 -0.887 18087 4195 1 9 . 1 1 31 31 LYS CB C 31 32.386 32.386 32.130 0.256 18087 4196 1 9 . 1 1 31 31 LYS H H 31 8.597 8.597 8.304 0.293 18087 4197 1 9 . 1 1 32 32 GLU N N 32 119.551 119.551 118.014 1.537 18087 4198 1 9 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.296 -0.250 18087 4199 1 9 . 1 1 32 32 GLU CA C 32 58.998 58.998 57.679 1.319 18087 4200 1 9 . 1 1 32 32 GLU CB C 32 28.470 28.470 30.099 -1.629 18087 4201 1 9 . 1 1 32 32 GLU H H 32 7.442 7.442 7.636 -0.194 18087 4202 1 9 . 1 1 33 33 LEU N N 33 121.725 121.725 121.412 0.313 18087 4203 1 9 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.935 0.133 18087 4204 1 9 . 1 1 33 33 LEU C C 33 177.279 177.279 178.270 -0.991 18087 4205 1 9 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.864 -1.468 18087 4206 1 9 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.706 -1.121 18087 4207 1 9 . 1 1 33 33 LEU H H 33 8.579 8.579 8.808 -0.229 18087 4208 1 9 . 1 1 34 34 LYS N N 34 120.543 120.543 117.289 3.254 18087 4209 1 9 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.991 -0.355 18087 4210 1 9 . 1 1 34 34 LYS C C 34 177.868 177.868 178.576 -0.708 18087 4211 1 9 . 1 1 34 34 LYS CA C 34 60.704 60.704 59.565 1.139 18087 4212 1 9 . 1 1 34 34 LYS CB C 34 31.870 31.870 31.705 0.165 18087 4213 1 9 . 1 1 34 34 LYS H H 34 8.618 8.618 7.591 1.027 18087 4214 1 9 . 1 1 35 35 GLU N N 35 117.340 117.340 120.821 -3.481 18087 4215 1 9 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.410 -0.403 18087 4216 1 9 . 1 1 35 35 GLU C C 35 179.008 179.008 179.266 -0.258 18087 4217 1 9 . 1 1 35 35 GLU CA C 35 59.366 59.366 58.813 0.553 18087 4218 1 9 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.646 -0.451 18087 4219 1 9 . 1 1 35 35 GLU H H 35 7.713 7.713 8.032 -0.319 18087 4220 1 9 . 1 1 36 36 LEU N N 36 122.745 122.745 121.899 0.846 18087 4221 1 9 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.027 -0.014 18087 4222 1 9 . 1 1 36 36 LEU C C 36 178.646 178.646 178.146 0.500 18087 4223 1 9 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.407 -0.031 18087 4224 1 9 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.132 0.756 18087 4225 1 9 . 1 1 36 36 LEU H H 36 8.150 8.150 8.805 -0.655 18087 4226 1 9 . 1 1 37 37 LEU N N 37 118.881 118.881 120.261 -1.380 18087 4227 1 9 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.022 -0.274 18087 4228 1 9 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.548 -0.187 18087 4229 1 9 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.224 0.189 18087 4230 1 9 . 1 1 37 37 LEU H H 37 8.495 8.495 8.423 0.072 18087 4231 1 9 . 1 1 38 38 GLN N N 38 115.311 115.311 117.425 -2.114 18087 4232 1 9 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.011 -0.222 18087 4233 1 9 . 1 1 38 38 GLN C C 38 177.826 177.826 178.306 -0.480 18087 4234 1 9 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.556 0.305 18087 4235 1 9 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.097 0.224 18087 4236 1 9 . 1 1 38 38 GLN H H 38 8.348 8.348 8.308 0.040 18087 4237 1 9 . 1 1 39 39 THR N N 39 112.151 112.151 115.982 -3.831 18087 4238 1 9 . 1 1 39 39 THR HA H 39 4.186 4.186 4.057 0.129 18087 4239 1 9 . 1 1 39 39 THR C C 39 177.166 177.166 177.362 -0.196 18087 4240 1 9 . 1 1 39 39 THR CA C 39 65.284 65.284 66.889 -1.605 18087 4241 1 9 . 1 1 39 39 THR CB C 39 69.179 69.179 68.826 0.353 18087 4242 1 9 . 1 1 39 39 THR H H 39 7.872 7.872 8.382 -0.510 18087 4243 1 9 . 1 1 40 40 GLU N N 40 119.602 119.602 120.957 -1.355 18087 4244 1 9 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.268 0.099 18087 4245 1 9 . 1 1 40 40 GLU C C 40 178.228 178.228 178.615 -0.387 18087 4246 1 9 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.763 -0.140 18087 4247 1 9 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.750 1.184 18087 4248 1 9 . 1 1 40 40 GLU H H 40 8.713 8.713 8.700 0.013 18087 4249 1 9 . 1 1 41 41 LEU N N 41 118.018 118.018 120.495 -2.477 18087 4250 1 9 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.757 0.375 18087 4251 1 9 . 1 1 41 41 LEU C C 41 176.993 176.993 177.111 -0.118 18087 4252 1 9 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.641 -0.822 18087 4253 1 9 . 1 1 41 41 LEU CB C 41 41.962 41.962 41.244 0.718 18087 4254 1 9 . 1 1 41 41 LEU H H 41 8.243 8.243 8.116 0.127 18087 4255 1 9 . 1 1 42 42 SER N N 42 114.483 114.483 117.071 -2.588 18087 4256 1 9 . 1 1 42 42 SER HA H 42 3.950 3.950 4.263 -0.313 18087 4257 1 9 . 1 1 42 42 SER C C 42 176.651 176.651 176.863 -0.212 18087 4258 1 9 . 1 1 42 42 SER CA C 42 62.225 62.225 62.245 -0.020 18087 4259 1 9 . 1 1 42 42 SER CB C 42 62.675 62.675 62.829 -0.154 18087 4260 1 9 . 1 1 42 42 SER H H 42 7.019 7.019 7.442 -0.423 18087 4261 1 9 . 1 1 43 43 GLY N N 43 109.381 109.381 109.394 -0.013 18087 4262 1 9 . 1 1 43 43 GLY C C 43 176.476 176.476 175.744 0.732 18087 4263 1 9 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.916 0.103 18087 4264 1 9 . 1 1 43 43 GLY H H 43 8.666 8.666 8.603 0.063 18087 4265 1 9 . 1 1 44 44 PHE N N 44 124.390 124.390 121.845 2.545 18087 4266 1 9 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.629 -0.302 18087 4267 1 9 . 1 1 44 44 PHE C C 44 176.516 176.516 178.033 -1.517 18087 4268 1 9 . 1 1 44 44 PHE CA C 44 60.094 60.094 60.116 -0.022 18087 4269 1 9 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.746 0.478 18087 4270 1 9 . 1 1 44 44 PHE H H 44 8.226 8.226 7.648 0.578 18087 4271 1 9 . 1 1 45 45 LEU N N 45 117.156 117.156 120.246 -3.090 18087 4272 1 9 . 1 1 45 45 LEU HA H 45 3.418 3.418 4.004 -0.586 18087 4273 1 9 . 1 1 45 45 LEU C C 45 179.673 179.673 177.793 1.880 18087 4274 1 9 . 1 1 45 45 LEU CA C 45 57.522 57.522 58.105 -0.583 18087 4275 1 9 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.609 -0.995 18087 4276 1 9 . 1 1 45 45 LEU H H 45 8.627 8.627 8.866 -0.239 18087 4277 1 9 . 1 1 46 46 ASP N N 46 117.663 117.663 117.720 -0.057 18087 4278 1 9 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.430 -0.085 18087 4279 1 9 . 1 1 46 46 ASP C C 46 177.844 177.844 178.957 -1.113 18087 4280 1 9 . 1 1 46 46 ASP CA C 46 56.784 56.784 56.791 -0.007 18087 4281 1 9 . 1 1 46 46 ASP CB C 46 41.130 41.130 41.365 -0.235 18087 4282 1 9 . 1 1 46 46 ASP H H 46 7.933 7.933 8.213 -0.280 18087 4283 1 9 . 1 1 47 47 ALA N N 47 119.795 119.795 122.450 -2.655 18087 4284 1 9 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.091 0.112 18087 4285 1 9 . 1 1 47 47 ALA C C 47 179.300 179.300 178.660 0.640 18087 4286 1 9 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.580 -1.218 18087 4287 1 9 . 1 1 47 47 ALA CB C 47 19.011 19.011 19.087 -0.076 18087 4288 1 9 . 1 1 47 47 ALA H H 47 7.380 7.380 8.017 -0.637 18087 4289 1 9 . 1 1 48 48 GLN N N 48 115.955 115.955 113.787 2.168 18087 4290 1 9 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.557 -0.287 18087 4291 1 9 . 1 1 48 48 GLN C C 48 175.355 175.355 175.216 0.139 18087 4292 1 9 . 1 1 48 48 GLN CA C 48 54.026 54.026 54.300 -0.274 18087 4293 1 9 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.410 1.149 18087 4294 1 9 . 1 1 48 48 GLN H H 48 7.369 7.369 8.005 -0.636 18087 4295 1 9 . 1 1 49 49 LYS N N 49 119.402 119.402 121.494 -2.092 18087 4296 1 9 . 1 1 49 49 LYS HA H 49 4.016 4.016 3.929 0.087 18087 4297 1 9 . 1 1 49 49 LYS C C 49 176.255 176.255 177.897 -1.642 18087 4298 1 9 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.807 -1.623 18087 4299 1 9 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.416 -0.312 18087 4300 1 9 . 1 1 49 49 LYS H H 49 7.152 7.152 7.429 -0.277 18087 4301 1 9 . 1 1 50 50 ASP N N 50 117.172 117.172 116.869 0.303 18087 4302 1 9 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.489 0.106 18087 4303 1 9 . 1 1 50 50 ASP C C 50 175.916 175.916 177.708 -1.792 18087 4304 1 9 . 1 1 50 50 ASP CA C 50 54.217 54.217 55.866 -1.649 18087 4305 1 9 . 1 1 50 50 ASP CB C 50 40.309 40.309 40.507 -0.198 18087 4306 1 9 . 1 1 50 50 ASP H H 50 8.338 8.338 8.502 -0.164 18087 4307 1 9 . 1 1 51 51 VAL N N 51 121.648 121.648 118.757 2.891 18087 4308 1 9 . 1 1 51 51 VAL HA H 51 3.997 3.997 3.705 0.292 18087 4309 1 9 . 1 1 51 51 VAL C C 51 177.128 177.128 176.824 0.304 18087 4310 1 9 . 1 1 51 51 VAL CA C 51 62.404 62.404 63.953 -1.549 18087 4311 1 9 . 1 1 51 51 VAL CB C 51 31.921 31.921 31.785 0.136 18087 4312 1 9 . 1 1 51 51 VAL H H 51 7.604 7.604 7.241 0.363 18087 4313 1 9 . 1 1 52 52 ASP N N 52 129.202 129.202 120.045 9.157 18087 4314 1 9 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.082 0.191 18087 4315 1 9 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.144 1.039 18087 4316 1 9 . 1 1 52 52 ASP CB C 52 40.935 40.935 39.643 1.292 18087 4317 1 9 . 1 1 52 52 ASP H H 52 8.702 8.702 7.869 0.833 18087 4318 1 9 . 1 1 53 53 ALA N N 53 118.401 118.401 121.520 -3.119 18087 4319 1 9 . 1 1 53 53 ALA HA H 53 4.012 4.012 3.960 0.052 18087 4320 1 9 . 1 1 53 53 ALA C C 53 179.448 179.448 178.899 0.549 18087 4321 1 9 . 1 1 53 53 ALA CA C 53 55.053 55.053 55.145 -0.092 18087 4322 1 9 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.423 0.941 18087 4323 1 9 . 1 1 53 53 ALA H H 53 8.478 8.478 8.360 0.118 18087 4324 1 9 . 1 1 54 54 VAL N N 54 115.050 115.050 117.167 -2.117 18087 4325 1 9 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.515 0.027 18087 4326 1 9 . 1 1 54 54 VAL C C 54 177.000 177.000 176.880 0.120 18087 4327 1 9 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.408 -1.188 18087 4328 1 9 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.773 0.285 18087 4329 1 9 . 1 1 54 54 VAL H H 54 6.988 6.988 8.160 -1.172 18087 4330 1 9 . 1 1 55 55 ASP N N 55 120.834 120.834 120.069 0.765 18087 4331 1 9 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.342 -0.064 18087 4332 1 9 . 1 1 55 55 ASP C C 55 178.307 178.307 178.291 0.016 18087 4333 1 9 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.304 0.319 18087 4334 1 9 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.615 1.162 18087 4335 1 9 . 1 1 55 55 ASP H H 55 8.157 8.157 8.257 -0.100 18087 4336 1 9 . 1 1 56 56 LYS N N 56 115.672 115.672 119.625 -3.953 18087 4337 1 9 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.068 -0.180 18087 4338 1 9 . 1 1 56 56 LYS C C 56 179.372 179.372 179.101 0.271 18087 4339 1 9 . 1 1 56 56 LYS CA C 56 59.608 59.608 58.606 1.002 18087 4340 1 9 . 1 1 56 56 LYS CB C 56 32.378 32.378 31.897 0.481 18087 4341 1 9 . 1 1 56 56 LYS H H 56 8.348 8.348 8.000 0.348 18087 4342 1 9 . 1 1 57 57 VAL N N 57 118.238 118.238 120.816 -2.578 18087 4343 1 9 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.672 0.057 18087 4344 1 9 . 1 1 57 57 VAL C C 57 177.541 177.541 177.982 -0.441 18087 4345 1 9 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.279 -0.577 18087 4346 1 9 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.268 0.650 18087 4347 1 9 . 1 1 57 57 VAL H H 57 7.003 7.003 8.578 -1.575 18087 4348 1 9 . 1 1 58 58 MET N N 58 115.998 115.998 119.457 -3.459 18087 4349 1 9 . 1 1 58 58 MET HA H 58 4.313 4.313 4.028 0.285 18087 4350 1 9 . 1 1 58 58 MET C C 58 179.857 179.857 177.810 2.047 18087 4351 1 9 . 1 1 58 58 MET CA C 58 56.717 56.717 59.364 -2.647 18087 4352 1 9 . 1 1 58 58 MET CB C 58 32.366 32.366 32.334 0.032 18087 4353 1 9 . 1 1 58 58 MET H H 58 7.836 7.836 8.684 -0.848 18087 4354 1 9 . 1 1 59 59 LYS N N 59 119.682 119.682 120.293 -0.611 18087 4355 1 9 . 1 1 59 59 LYS HA H 59 4.088 4.088 3.961 0.127 18087 4356 1 9 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.316 0.126 18087 4357 1 9 . 1 1 59 59 LYS CB C 59 32.504 32.504 31.623 0.881 18087 4358 1 9 . 1 1 59 59 LYS H H 59 8.619 8.619 8.438 0.181 18087 4359 1 9 . 1 1 60 60 GLU N N 60 119.917 119.917 119.780 0.137 18087 4360 1 9 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.021 -0.085 18087 4361 1 9 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.520 -0.280 18087 4362 1 9 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.477 0.612 18087 4363 1 9 . 1 1 60 60 GLU H H 60 7.721 7.721 7.795 -0.074 18087 4364 1 9 . 1 1 61 61 LEU N N 61 116.614 116.614 120.614 -4.000 18087 4365 1 9 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.016 0.007 18087 4366 1 9 . 1 1 61 61 LEU C C 61 175.845 175.845 179.354 -3.509 18087 4367 1 9 . 1 1 61 61 LEU CA C 61 56.515 56.515 58.241 -1.726 18087 4368 1 9 . 1 1 61 61 LEU CB C 61 41.218 41.218 40.938 0.280 18087 4369 1 9 . 1 1 61 61 LEU H H 61 7.429 7.429 7.512 -0.083 18087 4370 1 9 . 1 1 62 62 ASP N N 62 116.147 116.147 120.006 -3.859 18087 4371 1 9 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.431 0.092 18087 4372 1 9 . 1 1 62 62 ASP C C 62 177.790 177.790 179.333 -1.543 18087 4373 1 9 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.031 -1.605 18087 4374 1 9 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.515 1.365 18087 4375 1 9 . 1 1 62 62 ASP H H 62 7.423 7.423 8.552 -1.129 18087 4376 1 9 . 1 1 63 63 GLU N N 63 119.660 119.660 119.474 0.186 18087 4377 1 9 . 1 1 63 63 GLU HA H 63 4.136 4.136 4.041 0.095 18087 4378 1 9 . 1 1 63 63 GLU CA C 63 57.377 57.377 58.617 -1.240 18087 4379 1 9 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.805 0.183 18087 4380 1 9 . 1 1 63 63 GLU H H 63 7.837 7.837 8.608 -0.771 18087 4381 1 9 . 1 1 64 64 ASN N N 64 118.376 118.376 117.463 0.913 18087 4382 1 9 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.589 0.273 18087 4383 1 9 . 1 1 64 64 ASN C C 64 176.216 176.216 177.502 -1.286 18087 4384 1 9 . 1 1 64 64 ASN CA C 64 52.688 52.688 54.508 -1.820 18087 4385 1 9 . 1 1 64 64 ASN CB C 64 38.185 38.185 38.905 -0.720 18087 4386 1 9 . 1 1 64 64 ASN H H 64 8.012 8.012 8.600 -0.588 18087 4387 1 9 . 1 1 65 65 GLY N N 65 107.248 107.248 107.752 -0.504 18087 4388 1 9 . 1 1 65 65 GLY C C 65 173.971 173.971 174.823 -0.852 18087 4389 1 9 . 1 1 65 65 GLY CA C 65 47.136 47.136 45.117 2.019 18087 4390 1 9 . 1 1 65 65 GLY H H 65 7.989 7.989 8.531 -0.542 18087 4391 1 9 . 1 1 66 66 ASP N N 66 116.989 116.989 121.066 -4.077 18087 4392 1 9 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.454 0.334 18087 4393 1 9 . 1 1 66 66 ASP C C 66 177.289 177.289 176.997 0.292 18087 4394 1 9 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.432 -2.266 18087 4395 1 9 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.252 -0.265 18087 4396 1 9 . 1 1 66 66 ASP H H 66 8.233 8.233 8.492 -0.259 18087 4397 1 9 . 1 1 67 67 GLY N N 67 108.642 108.642 106.898 1.744 18087 4398 1 9 . 1 1 67 67 GLY C C 67 172.757 172.757 173.461 -0.704 18087 4399 1 9 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.650 -0.434 18087 4400 1 9 . 1 1 67 67 GLY H H 67 8.274 8.274 7.908 0.366 18087 4401 1 9 . 1 1 68 68 GLU N N 68 118.614 118.614 117.714 0.900 18087 4402 1 9 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.822 0.133 18087 4403 1 9 . 1 1 68 68 GLU C C 68 175.881 175.881 174.855 1.026 18087 4404 1 9 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.377 -0.012 18087 4405 1 9 . 1 1 68 68 GLU CB C 68 33.488 33.488 33.833 -0.345 18087 4406 1 9 . 1 1 68 68 GLU H H 68 8.404 8.404 7.893 0.511 18087 4407 1 9 . 1 1 69 69 VAL N N 69 117.572 117.572 121.097 -3.525 18087 4408 1 9 . 1 1 69 69 VAL HA H 69 4.765 4.765 5.126 -0.361 18087 4409 1 9 . 1 1 69 69 VAL C C 69 174.820 174.820 174.720 0.100 18087 4410 1 9 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.838 0.113 18087 4411 1 9 . 1 1 69 69 VAL CB C 69 34.352 34.352 34.455 -0.102 18087 4412 1 9 . 1 1 69 69 VAL H H 69 9.167 9.167 9.133 0.034 18087 4413 1 9 . 1 1 70 70 ASP N N 70 122.616 122.616 127.842 -5.226 18087 4414 1 9 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.218 -0.004 18087 4415 1 9 . 1 1 70 70 ASP C C 70 175.822 175.822 176.168 -0.346 18087 4416 1 9 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.780 -1.404 18087 4417 1 9 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.253 -1.061 18087 4418 1 9 . 1 1 70 70 ASP H H 70 8.292 8.292 8.852 -0.560 18087 4419 1 9 . 1 1 71 71 PHE N N 71 119.243 119.243 119.379 -0.136 18087 4420 1 9 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.472 -0.721 18087 4421 1 9 . 1 1 71 71 PHE C C 71 176.387 176.387 176.945 -0.558 18087 4422 1 9 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.963 1.002 18087 4423 1 9 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.306 -0.165 18087 4424 1 9 . 1 1 71 71 PHE H H 71 8.889 8.889 8.590 0.299 18087 4425 1 9 . 1 1 72 72 GLN N N 72 116.655 116.655 118.269 -1.614 18087 4426 1 9 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.805 -0.097 18087 4427 1 9 . 1 1 72 72 GLN C C 72 177.102 177.102 178.330 -1.228 18087 4428 1 9 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.313 -0.038 18087 4429 1 9 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.617 -0.450 18087 4430 1 9 . 1 1 72 72 GLN H H 72 8.021 8.021 8.848 -0.827 18087 4431 1 9 . 1 1 73 73 GLU N N 73 119.195 119.195 119.546 -0.351 18087 4432 1 9 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.000 0.493 18087 4433 1 9 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.169 -3.990 18087 4434 1 9 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.761 2.053 18087 4435 1 9 . 1 1 73 73 GLU H H 73 8.066 8.066 8.929 -0.863 18087 4436 1 9 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.143 -0.057 18087 4437 1 9 . 1 1 74 74 TYR CA C 74 60.497 60.497 61.269 -0.772 18087 4438 1 9 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.697 -0.871 18087 4439 1 9 . 1 1 75 75 VAL N N 75 120.072 120.072 116.732 3.340 18087 4440 1 9 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.074 -0.091 18087 4441 1 9 . 1 1 75 75 VAL C C 75 177.295 177.295 177.211 0.084 18087 4442 1 9 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.661 0.031 18087 4443 1 9 . 1 1 75 75 VAL CB C 75 30.618 30.618 29.892 0.726 18087 4444 1 9 . 1 1 75 75 VAL H H 75 8.291 8.291 8.337 -0.046 18087 4445 1 9 . 1 1 76 76 VAL N N 76 121.367 121.367 120.999 0.368 18087 4446 1 9 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.609 -0.089 18087 4447 1 9 . 1 1 76 76 VAL C C 76 178.847 178.847 177.555 1.292 18087 4448 1 9 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.825 0.728 18087 4449 1 9 . 1 1 76 76 VAL CB C 76 31.388 31.388 30.844 0.544 18087 4450 1 9 . 1 1 76 76 VAL H H 76 7.571 7.571 7.301 0.270 18087 4451 1 9 . 1 1 77 77 LEU N N 77 123.054 123.054 121.148 1.906 18087 4452 1 9 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.961 0.168 18087 4453 1 9 . 1 1 77 77 LEU C C 77 179.065 179.065 178.220 0.845 18087 4454 1 9 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.170 0.322 18087 4455 1 9 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.604 -0.308 18087 4456 1 9 . 1 1 77 77 LEU H H 77 7.360 7.360 7.553 -0.193 18087 4457 1 9 . 1 1 78 78 VAL N N 78 119.163 119.163 115.927 3.236 18087 4458 1 9 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.530 -0.257 18087 4459 1 9 . 1 1 78 78 VAL C C 78 180.217 180.217 177.863 2.354 18087 4460 1 9 . 1 1 78 78 VAL CA C 78 67.270 67.270 66.113 1.157 18087 4461 1 9 . 1 1 78 78 VAL CB C 78 31.181 31.181 30.642 0.539 18087 4462 1 9 . 1 1 78 78 VAL H H 78 8.192 8.192 7.628 0.564 18087 4463 1 9 . 1 1 79 79 ALA N N 79 125.884 125.884 124.078 1.806 18087 4464 1 9 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.849 -0.052 18087 4465 1 9 . 1 1 79 79 ALA C C 79 178.708 178.708 178.897 -0.189 18087 4466 1 9 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.023 0.868 18087 4467 1 9 . 1 1 79 79 ALA CB C 79 17.363 17.363 18.061 -0.698 18087 4468 1 9 . 1 1 79 79 ALA H H 79 9.067 9.067 8.671 0.396 18087 4469 1 9 . 1 1 80 80 ALA N N 80 121.108 121.108 121.379 -0.271 18087 4470 1 9 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.936 0.188 18087 4471 1 9 . 1 1 80 80 ALA C C 80 182.175 182.175 179.651 2.524 18087 4472 1 9 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.065 0.358 18087 4473 1 9 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.089 -0.420 18087 4474 1 9 . 1 1 80 80 ALA H H 80 7.776 7.776 8.625 -0.849 18087 4475 1 9 . 1 1 81 81 LEU N N 81 118.519 118.519 118.752 -0.233 18087 4476 1 9 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.856 0.262 18087 4477 1 9 . 1 1 81 81 LEU C C 81 177.959 177.959 179.201 -1.242 18087 4478 1 9 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.677 -0.188 18087 4479 1 9 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.556 0.613 18087 4480 1 9 . 1 1 81 81 LEU H H 81 8.097 8.097 7.737 0.360 18087 4481 1 9 . 1 1 82 82 THR N N 82 119.572 119.572 116.258 3.314 18087 4482 1 9 . 1 1 82 82 THR HA H 82 3.777 3.777 2.713 1.064 18087 4483 1 9 . 1 1 82 82 THR C C 82 176.911 176.911 176.047 0.864 18087 4484 1 9 . 1 1 82 82 THR CA C 82 68.058 68.058 66.545 1.513 18087 4485 1 9 . 1 1 82 82 THR CB C 82 67.402 67.402 68.373 -0.970 18087 4486 1 9 . 1 1 82 82 THR H H 82 8.537 8.537 8.079 0.458 18087 4487 1 9 . 1 1 83 83 VAL N N 83 123.805 123.805 121.595 2.210 18087 4488 1 9 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.380 0.350 18087 4489 1 9 . 1 1 83 83 VAL C C 83 177.787 177.787 176.872 0.915 18087 4490 1 9 . 1 1 83 83 VAL CA C 83 67.394 67.394 64.623 2.771 18087 4491 1 9 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.094 0.597 18087 4492 1 9 . 1 1 83 83 VAL H H 83 8.283 8.283 8.407 -0.124 18087 4493 1 9 . 1 1 84 84 ALA N N 84 121.134 121.134 122.553 -1.419 18087 4494 1 9 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.835 0.401 18087 4495 1 9 . 1 1 84 84 ALA C C 84 180.511 180.511 179.557 0.954 18087 4496 1 9 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.153 0.022 18087 4497 1 9 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.158 -0.731 18087 4498 1 9 . 1 1 84 84 ALA H H 84 7.466 7.466 8.176 -0.710 18087 4499 1 9 . 1 1 85 85 MET N N 85 121.755 121.755 117.752 4.003 18087 4500 1 9 . 1 1 85 85 MET HA H 85 3.796 3.796 4.025 -0.229 18087 4501 1 9 . 1 1 85 85 MET CA C 85 59.656 59.656 58.602 1.054 18087 4502 1 9 . 1 1 85 85 MET CB C 85 33.653 33.653 33.182 0.471 18087 4503 1 9 . 1 1 85 85 MET H H 85 8.549 8.549 8.163 0.386 18087 4504 1 9 . 1 1 86 86 ASN N N 86 119.410 119.410 118.806 0.604 18087 4505 1 9 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.508 -0.356 18087 4506 1 9 . 1 1 86 86 ASN C C 86 176.834 176.834 176.345 0.489 18087 4507 1 9 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.365 1.697 18087 4508 1 9 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.072 1.857 18087 4509 1 9 . 1 1 86 86 ASN H H 86 8.615 8.615 8.634 -0.019 18087 4510 1 9 . 1 1 87 87 ASN N N 87 117.077 117.077 118.764 -1.687 18087 4511 1 9 . 1 1 87 87 ASN HA H 87 4.446 4.446 3.784 0.662 18087 4512 1 9 . 1 1 87 87 ASN C C 87 176.906 176.906 176.812 0.094 18087 4513 1 9 . 1 1 87 87 ASN CA C 87 55.602 55.602 55.999 -0.397 18087 4514 1 9 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.197 -0.621 18087 4515 1 9 . 1 1 87 87 ASN H H 87 8.286 8.286 8.192 0.094 18087 4516 1 9 . 1 1 88 88 PHE N N 88 119.698 119.698 120.929 -1.231 18087 4517 1 9 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.098 0.380 18087 4518 1 9 . 1 1 88 88 PHE C C 88 177.057 177.057 176.553 0.504 18087 4519 1 9 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.657 -2.111 18087 4520 1 9 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.478 1.133 18087 4521 1 9 . 1 1 88 88 PHE H H 88 7.909 7.909 7.968 -0.059 18087 4522 1 9 . 1 1 89 89 PHE N N 89 116.219 116.219 116.274 -0.055 18087 4523 1 9 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.010 0.200 18087 4524 1 9 . 1 1 89 89 PHE C C 89 177.637 177.637 177.765 -0.128 18087 4525 1 9 . 1 1 89 89 PHE CA C 89 58.752 58.752 60.967 -2.215 18087 4526 1 9 . 1 1 89 89 PHE CB C 89 39.781 39.781 38.329 1.452 18087 4527 1 9 . 1 1 89 89 PHE H H 89 8.049 8.049 7.059 0.990 18087 4528 1 9 . 1 1 90 90 TRP N N 90 117.712 117.712 119.729 -2.017 18087 4529 1 9 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.494 0.034 18087 4530 1 9 . 1 1 90 90 TRP C C 90 176.741 176.741 178.105 -1.364 18087 4531 1 9 . 1 1 90 90 TRP CA C 90 58.109 58.109 58.085 0.024 18087 4532 1 9 . 1 1 90 90 TRP CB C 90 29.720 29.720 28.496 1.224 18087 4533 1 9 . 1 1 90 90 TRP H H 90 8.257 8.257 8.563 -0.306 18087 4534 1 9 . 1 1 91 91 GLU N N 91 120.493 120.493 116.447 4.046 18087 4535 1 9 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.282 0.146 18087 4536 1 9 . 1 1 91 91 GLU C C 91 176.393 176.393 175.950 0.443 18087 4537 1 9 . 1 1 91 91 GLU CA C 91 57.193 57.193 56.481 0.712 18087 4538 1 9 . 1 1 91 91 GLU CB C 91 29.850 29.850 29.380 0.470 18087 4539 1 9 . 1 1 91 91 GLU H H 91 7.988 7.988 8.795 -0.807 18087 4540 1 9 . 1 1 92 92 ASN N N 92 119.006 119.006 119.281 -0.275 18087 4541 1 9 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.116 0.671 18087 4542 1 9 . 1 1 92 92 ASN C C 92 174.284 174.284 173.881 0.403 18087 4543 1 9 . 1 1 92 92 ASN CA C 92 53.198 53.198 54.113 -0.915 18087 4544 1 9 . 1 1 92 92 ASN CB C 92 39.233 39.233 37.578 1.655 18087 4545 1 9 . 1 1 92 92 ASN H H 92 8.203 8.203 7.425 0.778 18087 4546 1 10 . 1 1 2 2 SER N N 2 117.254 117.254 115.870 1.384 18087 4547 1 10 . 1 1 2 2 SER HA H 2 4.737 4.737 4.409 0.328 18087 4548 1 10 . 1 1 2 2 SER C C 2 175.320 175.320 175.989 -0.669 18087 4549 1 10 . 1 1 2 2 SER CA C 2 57.476 57.476 58.033 -0.557 18087 4550 1 10 . 1 1 2 2 SER CB C 2 64.594 64.594 63.748 0.846 18087 4551 1 10 . 1 1 2 2 SER H H 2 8.686 8.686 9.023 -0.337 18087 4552 1 10 . 1 1 3 3 GLU N N 3 124.640 124.640 121.968 2.672 18087 4553 1 10 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.072 0.036 18087 4554 1 10 . 1 1 3 3 GLU C C 3 178.972 178.972 178.752 0.220 18087 4555 1 10 . 1 1 3 3 GLU CA C 3 60.375 60.375 60.304 0.071 18087 4556 1 10 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.275 0.469 18087 4557 1 10 . 1 1 3 3 GLU H H 3 9.242 9.242 8.845 0.397 18087 4558 1 10 . 1 1 4 4 LEU N N 4 119.682 119.682 118.822 0.860 18087 4559 1 10 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.046 -0.094 18087 4560 1 10 . 1 1 4 4 LEU C C 4 178.027 178.027 178.992 -0.965 18087 4561 1 10 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.664 -0.485 18087 4562 1 10 . 1 1 4 4 LEU CB C 4 42.308 42.308 41.040 1.268 18087 4563 1 10 . 1 1 4 4 LEU H H 4 8.952 8.952 8.401 0.551 18087 4564 1 10 . 1 1 5 5 GLU N N 5 118.542 118.542 118.474 0.068 18087 4565 1 10 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.017 -0.225 18087 4566 1 10 . 1 1 5 5 GLU C C 5 178.389 178.389 178.785 -0.396 18087 4567 1 10 . 1 1 5 5 GLU CA C 5 60.051 60.051 60.113 -0.062 18087 4568 1 10 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.081 0.902 18087 4569 1 10 . 1 1 5 5 GLU H H 5 7.968 7.968 8.453 -0.485 18087 4570 1 10 . 1 1 6 6 THR N N 6 114.278 114.278 117.399 -3.121 18087 4571 1 10 . 1 1 6 6 THR HA H 6 4.015 4.015 3.996 0.019 18087 4572 1 10 . 1 1 6 6 THR C C 6 176.990 176.990 176.708 0.282 18087 4573 1 10 . 1 1 6 6 THR CA C 6 66.450 66.450 66.805 -0.355 18087 4574 1 10 . 1 1 6 6 THR CB C 6 68.637 68.637 68.257 0.380 18087 4575 1 10 . 1 1 6 6 THR H H 6 8.177 8.177 8.558 -0.381 18087 4576 1 10 . 1 1 7 7 ALA N N 7 126.659 126.659 126.180 0.479 18087 4577 1 10 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.133 0.030 18087 4578 1 10 . 1 1 7 7 ALA C C 7 179.338 179.338 179.531 -0.193 18087 4579 1 10 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.144 0.671 18087 4580 1 10 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.313 -0.129 18087 4581 1 10 . 1 1 7 7 ALA H H 7 8.166 8.166 8.939 -0.773 18087 4582 1 10 . 1 1 8 8 MET N N 8 117.727 117.727 117.099 0.628 18087 4583 1 10 . 1 1 8 8 MET HA H 8 3.731 3.731 4.314 -0.583 18087 4584 1 10 . 1 1 8 8 MET C C 8 178.071 178.071 179.040 -0.969 18087 4585 1 10 . 1 1 8 8 MET CA C 8 60.447 60.447 57.000 3.447 18087 4586 1 10 . 1 1 8 8 MET CB C 8 34.928 34.928 31.230 3.698 18087 4587 1 10 . 1 1 8 8 MET H H 8 8.090 8.090 8.589 -0.499 18087 4588 1 10 . 1 1 9 9 GLU N N 9 117.303 117.303 119.742 -2.439 18087 4589 1 10 . 1 1 9 9 GLU HA H 9 3.907 3.907 4.085 -0.178 18087 4590 1 10 . 1 1 9 9 GLU C C 9 179.261 179.261 179.382 -0.121 18087 4591 1 10 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.660 0.370 18087 4592 1 10 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.103 0.396 18087 4593 1 10 . 1 1 9 9 GLU H H 9 8.603 8.603 8.940 -0.337 18087 4594 1 10 . 1 1 10 10 THR N N 10 117.583 117.583 117.416 0.167 18087 4595 1 10 . 1 1 10 10 THR HA H 10 4.088 4.088 4.128 -0.040 18087 4596 1 10 . 1 1 10 10 THR C C 10 175.758 175.758 177.024 -1.266 18087 4597 1 10 . 1 1 10 10 THR CA C 10 67.439 67.439 66.490 0.949 18087 4598 1 10 . 1 1 10 10 THR CB C 10 68.014 68.014 68.341 -0.327 18087 4599 1 10 . 1 1 10 10 THR H H 10 8.483 8.483 8.484 -0.001 18087 4600 1 10 . 1 1 11 11 LEU N N 11 119.623 119.623 122.334 -2.711 18087 4601 1 10 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.363 -0.393 18087 4602 1 10 . 1 1 11 11 LEU C C 11 178.935 178.935 179.599 -0.664 18087 4603 1 10 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.301 0.874 18087 4604 1 10 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.826 0.035 18087 4605 1 10 . 1 1 11 11 LEU H H 11 8.013 8.013 7.922 0.091 18087 4606 1 10 . 1 1 12 12 ILE N N 12 119.751 119.751 120.121 -0.370 18087 4607 1 10 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.415 0.578 18087 4608 1 10 . 1 1 12 12 ILE C C 12 177.717 177.717 178.142 -0.425 18087 4609 1 10 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.186 1.562 18087 4610 1 10 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.388 2.878 18087 4611 1 10 . 1 1 12 12 ILE H H 12 7.708 7.708 8.633 -0.925 18087 4612 1 10 . 1 1 13 13 ASN N N 13 121.260 121.260 119.278 1.982 18087 4613 1 10 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.631 -0.064 18087 4614 1 10 . 1 1 13 13 ASN C C 13 178.941 178.941 178.383 0.558 18087 4615 1 10 . 1 1 13 13 ASN CA C 13 56.339 56.339 56.880 -0.541 18087 4616 1 10 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.298 -0.204 18087 4617 1 10 . 1 1 13 13 ASN H H 13 9.125 9.125 8.612 0.513 18087 4618 1 10 . 1 1 14 14 VAL N N 14 120.868 120.868 120.644 0.224 18087 4619 1 10 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.717 0.150 18087 4620 1 10 . 1 1 14 14 VAL C C 14 177.827 177.827 177.694 0.133 18087 4621 1 10 . 1 1 14 14 VAL CA C 14 66.715 66.715 67.034 -0.319 18087 4622 1 10 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.923 -0.021 18087 4623 1 10 . 1 1 14 14 VAL H H 14 8.965 8.965 7.811 1.154 18087 4624 1 10 . 1 1 15 15 PHE N N 15 117.672 117.672 120.759 -3.087 18087 4625 1 10 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.883 -0.437 18087 4626 1 10 . 1 1 15 15 PHE C C 15 177.713 177.713 177.685 0.028 18087 4627 1 10 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.067 0.374 18087 4628 1 10 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.205 -0.024 18087 4629 1 10 . 1 1 15 15 PHE H H 15 6.968 6.968 8.694 -1.726 18087 4630 1 10 . 1 1 16 16 HIS N N 16 115.122 115.122 119.454 -4.332 18087 4631 1 10 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.242 0.127 18087 4632 1 10 . 1 1 16 16 HIS C C 16 176.987 176.987 177.727 -0.740 18087 4633 1 10 . 1 1 16 16 HIS CA C 16 58.413 58.413 60.356 -1.943 18087 4634 1 10 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.562 -1.302 18087 4635 1 10 . 1 1 16 16 HIS H H 16 8.020 8.020 9.028 -1.008 18087 4636 1 10 . 1 1 17 17 ALA N N 17 122.533 122.533 121.669 0.864 18087 4637 1 10 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.963 0.154 18087 4638 1 10 . 1 1 17 17 ALA CA C 17 54.064 54.064 54.988 -0.924 18087 4639 1 10 . 1 1 17 17 ALA CB C 17 17.908 17.908 18.101 -0.193 18087 4640 1 10 . 1 1 17 17 ALA H H 17 8.282 8.282 8.292 -0.010 18087 4641 1 10 . 1 1 18 18 HIS N N 18 113.127 113.127 117.442 -4.315 18087 4642 1 10 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.300 0.108 18087 4643 1 10 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.297 -2.049 18087 4644 1 10 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.545 1.717 18087 4645 1 10 . 1 1 18 18 HIS H H 18 7.124 7.124 8.179 -1.055 18087 4646 1 10 . 1 1 19 19 SER HA H 19 3.963 3.963 4.229 -0.266 18087 4647 1 10 . 1 1 19 19 SER CA C 19 59.969 59.969 62.403 -2.434 18087 4648 1 10 . 1 1 19 19 SER CB C 19 62.416 62.416 62.531 -0.115 18087 4649 1 10 . 1 1 20 20 GLY N N 20 107.243 107.243 109.041 -1.798 18087 4650 1 10 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.818 -0.704 18087 4651 1 10 . 1 1 20 20 GLY H H 20 7.915 7.915 8.132 -0.217 18087 4652 1 10 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.061 -0.104 18087 4653 1 10 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.244 -0.199 18087 4654 1 10 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.021 -0.084 18087 4655 1 10 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.176 -0.134 18087 4656 1 10 . 1 1 22 22 GLU CA C 22 58.755 58.755 57.762 0.993 18087 4657 1 10 . 1 1 22 22 GLU CB C 22 30.184 30.184 30.143 0.041 18087 4658 1 10 . 1 1 23 23 GLY N N 23 111.113 111.113 107.315 3.798 18087 4659 1 10 . 1 1 23 23 GLY CA C 23 46.790 46.790 44.444 2.346 18087 4660 1 10 . 1 1 23 23 GLY H H 23 8.435 8.435 8.057 0.378 18087 4661 1 10 . 1 1 24 24 ASP N N 24 123.994 123.994 120.811 3.183 18087 4662 1 10 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.609 -0.113 18087 4663 1 10 . 1 1 24 24 ASP CA C 24 54.286 54.286 53.490 0.796 18087 4664 1 10 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.795 -0.794 18087 4665 1 10 . 1 1 24 24 ASP H H 24 8.501 8.501 8.152 0.349 18087 4666 1 10 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.117 0.325 18087 4667 1 10 . 1 1 25 25 LYS CA C 25 56.523 56.523 57.869 -1.346 18087 4668 1 10 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.897 0.374 18087 4669 1 10 . 1 1 26 26 TYR N N 26 119.967 119.967 113.647 6.320 18087 4670 1 10 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.805 -0.013 18087 4671 1 10 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.823 0.196 18087 4672 1 10 . 1 1 26 26 TYR CB C 26 38.431 38.431 39.006 -0.575 18087 4673 1 10 . 1 1 26 26 TYR H H 26 8.712 8.712 8.453 0.259 18087 4674 1 10 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.919 0.380 18087 4675 1 10 . 1 1 27 27 LYS C C 27 174.308 174.308 173.489 0.819 18087 4676 1 10 . 1 1 27 27 LYS CA C 27 54.365 54.365 55.310 -0.945 18087 4677 1 10 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.319 0.075 18087 4678 1 10 . 1 1 28 28 LEU N N 28 121.194 121.194 122.513 -1.319 18087 4679 1 10 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.579 0.141 18087 4680 1 10 . 1 1 28 28 LEU C C 28 178.895 178.895 174.781 4.114 18087 4681 1 10 . 1 1 28 28 LEU CA C 28 52.968 52.968 52.835 0.133 18087 4682 1 10 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.484 0.727 18087 4683 1 10 . 1 1 28 28 LEU H H 28 8.632 8.632 8.981 -0.349 18087 4684 1 10 . 1 1 29 29 SER N N 29 119.705 119.705 121.425 -1.720 18087 4685 1 10 . 1 1 29 29 SER HA H 29 4.987 4.987 4.661 0.326 18087 4686 1 10 . 1 1 29 29 SER C C 29 175.742 175.742 175.333 0.409 18087 4687 1 10 . 1 1 29 29 SER CA C 29 57.873 57.873 57.822 0.051 18087 4688 1 10 . 1 1 29 29 SER CB C 29 64.531 64.531 64.774 -0.243 18087 4689 1 10 . 1 1 29 29 SER H H 29 8.901 8.901 8.850 0.051 18087 4690 1 10 . 1 1 30 30 LYS N N 30 124.208 124.208 122.180 2.028 18087 4691 1 10 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.163 -0.349 18087 4692 1 10 . 1 1 30 30 LYS C C 30 178.469 178.469 178.454 0.015 18087 4693 1 10 . 1 1 30 30 LYS CA C 30 61.433 61.433 57.627 3.806 18087 4694 1 10 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.443 0.826 18087 4695 1 10 . 1 1 30 30 LYS H H 30 8.836 8.836 8.989 -0.153 18087 4696 1 10 . 1 1 31 31 LYS N N 31 119.570 119.570 121.476 -1.906 18087 4697 1 10 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.109 -0.063 18087 4698 1 10 . 1 1 31 31 LYS C C 31 179.409 179.409 178.771 0.638 18087 4699 1 10 . 1 1 31 31 LYS CA C 31 59.223 59.223 60.179 -0.956 18087 4700 1 10 . 1 1 31 31 LYS CB C 31 32.386 32.386 31.919 0.468 18087 4701 1 10 . 1 1 31 31 LYS H H 31 8.597 8.597 7.957 0.640 18087 4702 1 10 . 1 1 32 32 GLU N N 32 119.551 119.551 119.359 0.192 18087 4703 1 10 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.108 -0.062 18087 4704 1 10 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.655 0.343 18087 4705 1 10 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.450 -0.980 18087 4706 1 10 . 1 1 32 32 GLU H H 32 7.442 7.442 7.555 -0.113 18087 4707 1 10 . 1 1 33 33 LEU N N 33 121.725 121.725 120.544 1.181 18087 4708 1 10 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.927 0.141 18087 4709 1 10 . 1 1 33 33 LEU C C 33 177.279 177.279 178.255 -0.976 18087 4710 1 10 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.394 -0.998 18087 4711 1 10 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.535 -0.950 18087 4712 1 10 . 1 1 33 33 LEU H H 33 8.579 8.579 8.302 0.277 18087 4713 1 10 . 1 1 34 34 LYS N N 34 120.543 120.543 118.854 1.689 18087 4714 1 10 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.953 -0.317 18087 4715 1 10 . 1 1 34 34 LYS C C 34 177.868 177.868 179.116 -1.248 18087 4716 1 10 . 1 1 34 34 LYS CA C 34 60.704 60.704 60.158 0.546 18087 4717 1 10 . 1 1 34 34 LYS CB C 34 31.870 31.870 32.155 -0.285 18087 4718 1 10 . 1 1 34 34 LYS H H 34 8.618 8.618 7.572 1.046 18087 4719 1 10 . 1 1 35 35 GLU N N 35 117.340 117.340 120.763 -3.423 18087 4720 1 10 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.307 -0.300 18087 4721 1 10 . 1 1 35 35 GLU C C 35 179.008 179.008 179.470 -0.462 18087 4722 1 10 . 1 1 35 35 GLU CA C 35 59.366 59.366 59.132 0.234 18087 4723 1 10 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.828 -0.633 18087 4724 1 10 . 1 1 35 35 GLU H H 35 7.713 7.713 7.558 0.155 18087 4725 1 10 . 1 1 36 36 LEU N N 36 122.745 122.745 122.988 -0.243 18087 4726 1 10 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.913 0.100 18087 4727 1 10 . 1 1 36 36 LEU C C 36 178.646 178.646 178.199 0.447 18087 4728 1 10 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.095 0.281 18087 4729 1 10 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.233 0.655 18087 4730 1 10 . 1 1 36 36 LEU H H 36 8.150 8.150 8.680 -0.530 18087 4731 1 10 . 1 1 37 37 LEU N N 37 118.881 118.881 119.530 -0.649 18087 4732 1 10 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.020 -0.272 18087 4733 1 10 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.550 -0.189 18087 4734 1 10 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.151 0.262 18087 4735 1 10 . 1 1 37 37 LEU H H 37 8.495 8.495 8.869 -0.374 18087 4736 1 10 . 1 1 38 38 GLN N N 38 115.311 115.311 117.514 -2.203 18087 4737 1 10 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.072 -0.283 18087 4738 1 10 . 1 1 38 38 GLN C C 38 177.826 177.826 178.139 -0.313 18087 4739 1 10 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.741 0.119 18087 4740 1 10 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.200 0.121 18087 4741 1 10 . 1 1 38 38 GLN H H 38 8.348 8.348 8.427 -0.079 18087 4742 1 10 . 1 1 39 39 THR N N 39 112.151 112.151 117.419 -5.268 18087 4743 1 10 . 1 1 39 39 THR HA H 39 4.186 4.186 4.128 0.058 18087 4744 1 10 . 1 1 39 39 THR C C 39 177.166 177.166 177.080 0.086 18087 4745 1 10 . 1 1 39 39 THR CA C 39 65.284 65.284 66.779 -1.495 18087 4746 1 10 . 1 1 39 39 THR CB C 39 69.179 69.179 68.551 0.628 18087 4747 1 10 . 1 1 39 39 THR H H 39 7.872 7.872 8.715 -0.843 18087 4748 1 10 . 1 1 40 40 GLU N N 40 119.602 119.602 120.214 -0.612 18087 4749 1 10 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.411 -0.045 18087 4750 1 10 . 1 1 40 40 GLU C C 40 178.228 178.228 178.026 0.202 18087 4751 1 10 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.031 0.592 18087 4752 1 10 . 1 1 40 40 GLU CB C 40 30.934 30.934 30.314 0.619 18087 4753 1 10 . 1 1 40 40 GLU H H 40 8.713 8.713 8.631 0.082 18087 4754 1 10 . 1 1 41 41 LEU N N 41 118.018 118.018 121.224 -3.206 18087 4755 1 10 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.759 0.373 18087 4756 1 10 . 1 1 41 41 LEU C C 41 176.993 176.993 176.891 0.102 18087 4757 1 10 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.683 -0.864 18087 4758 1 10 . 1 1 41 41 LEU CB C 41 41.962 41.962 41.460 0.502 18087 4759 1 10 . 1 1 41 41 LEU H H 41 8.243 8.243 8.263 -0.020 18087 4760 1 10 . 1 1 42 42 SER N N 42 114.483 114.483 117.474 -2.991 18087 4761 1 10 . 1 1 42 42 SER HA H 42 3.950 3.950 4.210 -0.260 18087 4762 1 10 . 1 1 42 42 SER C C 42 176.651 176.651 176.896 -0.245 18087 4763 1 10 . 1 1 42 42 SER CA C 42 62.225 62.225 62.606 -0.381 18087 4764 1 10 . 1 1 42 42 SER CB C 42 62.675 62.675 62.867 -0.192 18087 4765 1 10 . 1 1 42 42 SER H H 42 7.019 7.019 8.082 -1.063 18087 4766 1 10 . 1 1 43 43 GLY N N 43 109.381 109.381 109.206 0.175 18087 4767 1 10 . 1 1 43 43 GLY C C 43 176.476 176.476 175.951 0.525 18087 4768 1 10 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.991 0.028 18087 4769 1 10 . 1 1 43 43 GLY H H 43 8.666 8.666 8.736 -0.070 18087 4770 1 10 . 1 1 44 44 PHE N N 44 124.390 124.390 121.584 2.806 18087 4771 1 10 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.656 -0.329 18087 4772 1 10 . 1 1 44 44 PHE C C 44 176.516 176.516 178.137 -1.621 18087 4773 1 10 . 1 1 44 44 PHE CA C 44 60.094 60.094 60.088 0.006 18087 4774 1 10 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.718 0.506 18087 4775 1 10 . 1 1 44 44 PHE H H 44 8.226 8.226 7.663 0.563 18087 4776 1 10 . 1 1 45 45 LEU N N 45 117.156 117.156 121.441 -4.285 18087 4777 1 10 . 1 1 45 45 LEU HA H 45 3.418 3.418 3.963 -0.545 18087 4778 1 10 . 1 1 45 45 LEU C C 45 179.673 179.673 177.717 1.956 18087 4779 1 10 . 1 1 45 45 LEU CA C 45 57.522 57.522 58.026 -0.505 18087 4780 1 10 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.770 -1.156 18087 4781 1 10 . 1 1 45 45 LEU H H 45 8.627 8.627 8.987 -0.360 18087 4782 1 10 . 1 1 46 46 ASP N N 46 117.663 117.663 118.604 -0.941 18087 4783 1 10 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.375 -0.030 18087 4784 1 10 . 1 1 46 46 ASP C C 46 177.844 177.844 178.983 -1.139 18087 4785 1 10 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.296 -0.512 18087 4786 1 10 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.872 0.258 18087 4787 1 10 . 1 1 46 46 ASP H H 46 7.933 7.933 8.765 -0.832 18087 4788 1 10 . 1 1 47 47 ALA N N 47 119.795 119.795 122.405 -2.610 18087 4789 1 10 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.123 0.080 18087 4790 1 10 . 1 1 47 47 ALA C C 47 179.300 179.300 178.543 0.757 18087 4791 1 10 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.649 -1.287 18087 4792 1 10 . 1 1 47 47 ALA CB C 47 19.011 19.011 19.037 -0.026 18087 4793 1 10 . 1 1 47 47 ALA H H 47 7.380 7.380 7.910 -0.530 18087 4794 1 10 . 1 1 48 48 GLN N N 48 115.955 115.955 115.898 0.057 18087 4795 1 10 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.486 -0.216 18087 4796 1 10 . 1 1 48 48 GLN C C 48 175.355 175.355 176.057 -0.702 18087 4797 1 10 . 1 1 48 48 GLN CA C 48 54.026 54.026 54.671 -0.645 18087 4798 1 10 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.106 1.454 18087 4799 1 10 . 1 1 48 48 GLN H H 48 7.369 7.369 7.641 -0.272 18087 4800 1 10 . 1 1 49 49 LYS N N 49 119.402 119.402 122.228 -2.826 18087 4801 1 10 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.130 -0.114 18087 4802 1 10 . 1 1 49 49 LYS C C 49 176.255 176.255 176.550 -0.295 18087 4803 1 10 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.495 -1.311 18087 4804 1 10 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.449 -0.346 18087 4805 1 10 . 1 1 49 49 LYS H H 49 7.152 7.152 7.483 -0.331 18087 4806 1 10 . 1 1 50 50 ASP N N 50 117.172 117.172 115.055 2.117 18087 4807 1 10 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.705 -0.110 18087 4808 1 10 . 1 1 50 50 ASP C C 50 175.916 175.916 176.685 -0.769 18087 4809 1 10 . 1 1 50 50 ASP CA C 50 54.217 54.217 53.382 0.835 18087 4810 1 10 . 1 1 50 50 ASP CB C 50 40.309 40.309 40.757 -0.448 18087 4811 1 10 . 1 1 50 50 ASP H H 50 8.338 8.338 8.115 0.223 18087 4812 1 10 . 1 1 51 51 VAL N N 51 121.648 121.648 121.100 0.548 18087 4813 1 10 . 1 1 51 51 VAL HA H 51 3.997 3.997 3.881 0.116 18087 4814 1 10 . 1 1 51 51 VAL C C 51 177.128 177.128 176.720 0.408 18087 4815 1 10 . 1 1 51 51 VAL CA C 51 62.404 62.404 63.222 -0.818 18087 4816 1 10 . 1 1 51 51 VAL CB C 51 31.921 31.921 31.498 0.423 18087 4817 1 10 . 1 1 51 51 VAL H H 51 7.604 7.604 7.327 0.277 18087 4818 1 10 . 1 1 52 52 ASP N N 52 129.202 129.202 120.752 8.450 18087 4819 1 10 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.136 0.137 18087 4820 1 10 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.110 1.073 18087 4821 1 10 . 1 1 52 52 ASP CB C 52 40.935 40.935 39.910 1.024 18087 4822 1 10 . 1 1 52 52 ASP H H 52 8.702 8.702 8.591 0.111 18087 4823 1 10 . 1 1 53 53 ALA N N 53 118.401 118.401 121.751 -3.350 18087 4824 1 10 . 1 1 53 53 ALA HA H 53 4.012 4.012 3.970 0.042 18087 4825 1 10 . 1 1 53 53 ALA C C 53 179.448 179.448 179.203 0.245 18087 4826 1 10 . 1 1 53 53 ALA CA C 53 55.053 55.053 55.291 -0.237 18087 4827 1 10 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.360 1.004 18087 4828 1 10 . 1 1 53 53 ALA H H 53 8.478 8.478 8.487 -0.009 18087 4829 1 10 . 1 1 54 54 VAL N N 54 115.050 115.050 118.861 -3.811 18087 4830 1 10 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.564 -0.022 18087 4831 1 10 . 1 1 54 54 VAL C C 54 177.000 177.000 177.185 -0.185 18087 4832 1 10 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.458 -1.238 18087 4833 1 10 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.794 0.265 18087 4834 1 10 . 1 1 54 54 VAL H H 54 6.988 6.988 8.030 -1.042 18087 4835 1 10 . 1 1 55 55 ASP N N 55 120.834 120.834 118.364 2.470 18087 4836 1 10 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.280 -0.002 18087 4837 1 10 . 1 1 55 55 ASP C C 55 178.307 178.307 178.464 -0.157 18087 4838 1 10 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.798 -0.175 18087 4839 1 10 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.535 1.242 18087 4840 1 10 . 1 1 55 55 ASP H H 55 8.157 8.157 7.874 0.283 18087 4841 1 10 . 1 1 56 56 LYS N N 56 115.672 115.672 119.949 -4.277 18087 4842 1 10 . 1 1 56 56 LYS HA H 56 3.888 3.888 3.930 -0.042 18087 4843 1 10 . 1 1 56 56 LYS C C 56 179.372 179.372 178.968 0.404 18087 4844 1 10 . 1 1 56 56 LYS CA C 56 59.608 59.608 59.852 -0.244 18087 4845 1 10 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.501 -0.123 18087 4846 1 10 . 1 1 56 56 LYS H H 56 8.348 8.348 8.076 0.272 18087 4847 1 10 . 1 1 57 57 VAL N N 57 118.238 118.238 120.813 -2.575 18087 4848 1 10 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.643 0.086 18087 4849 1 10 . 1 1 57 57 VAL C C 57 177.541 177.541 178.241 -0.700 18087 4850 1 10 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.374 -0.672 18087 4851 1 10 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.019 0.899 18087 4852 1 10 . 1 1 57 57 VAL H H 57 7.003 7.003 8.717 -1.714 18087 4853 1 10 . 1 1 58 58 MET N N 58 115.998 115.998 118.474 -2.476 18087 4854 1 10 . 1 1 58 58 MET HA H 58 4.313 4.313 4.042 0.271 18087 4855 1 10 . 1 1 58 58 MET C C 58 179.857 179.857 178.576 1.281 18087 4856 1 10 . 1 1 58 58 MET CA C 58 56.717 56.717 58.794 -2.077 18087 4857 1 10 . 1 1 58 58 MET CB C 58 32.366 32.366 31.446 0.920 18087 4858 1 10 . 1 1 58 58 MET H H 58 7.836 7.836 8.512 -0.676 18087 4859 1 10 . 1 1 59 59 LYS N N 59 119.682 119.682 121.008 -1.326 18087 4860 1 10 . 1 1 59 59 LYS HA H 59 4.088 4.088 3.969 0.119 18087 4861 1 10 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.422 0.020 18087 4862 1 10 . 1 1 59 59 LYS CB C 59 32.504 32.504 32.056 0.448 18087 4863 1 10 . 1 1 59 59 LYS H H 59 8.619 8.619 8.799 -0.180 18087 4864 1 10 . 1 1 60 60 GLU N N 60 119.917 119.917 119.864 0.053 18087 4865 1 10 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.170 -0.234 18087 4866 1 10 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.378 -0.138 18087 4867 1 10 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.566 0.523 18087 4868 1 10 . 1 1 60 60 GLU H H 60 7.721 7.721 8.445 -0.724 18087 4869 1 10 . 1 1 61 61 LEU N N 61 116.614 116.614 120.277 -3.663 18087 4870 1 10 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.048 -0.025 18087 4871 1 10 . 1 1 61 61 LEU C C 61 175.845 175.845 179.369 -3.524 18087 4872 1 10 . 1 1 61 61 LEU CA C 61 56.515 56.515 58.288 -1.773 18087 4873 1 10 . 1 1 61 61 LEU CB C 61 41.218 41.218 41.152 0.066 18087 4874 1 10 . 1 1 61 61 LEU H H 61 7.429 7.429 8.046 -0.617 18087 4875 1 10 . 1 1 62 62 ASP N N 62 116.147 116.147 119.588 -3.441 18087 4876 1 10 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.625 -0.102 18087 4877 1 10 . 1 1 62 62 ASP C C 62 177.790 177.790 179.003 -1.213 18087 4878 1 10 . 1 1 62 62 ASP CA C 62 55.426 55.426 56.752 -1.326 18087 4879 1 10 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.614 1.266 18087 4880 1 10 . 1 1 62 62 ASP H H 62 7.423 7.423 8.431 -1.008 18087 4881 1 10 . 1 1 63 63 GLU N N 63 119.660 119.660 120.532 -0.872 18087 4882 1 10 . 1 1 63 63 GLU HA H 63 4.136 4.136 4.096 0.040 18087 4883 1 10 . 1 1 63 63 GLU CA C 63 57.377 57.377 58.958 -1.581 18087 4884 1 10 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.681 0.308 18087 4885 1 10 . 1 1 63 63 GLU H H 63 7.837 7.837 8.327 -0.490 18087 4886 1 10 . 1 1 64 64 ASN N N 64 118.376 118.376 118.990 -0.614 18087 4887 1 10 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.731 0.131 18087 4888 1 10 . 1 1 64 64 ASN C C 64 176.216 176.216 175.530 0.686 18087 4889 1 10 . 1 1 64 64 ASN CA C 64 52.688 52.688 52.157 0.531 18087 4890 1 10 . 1 1 64 64 ASN CB C 64 38.185 38.185 37.389 0.796 18087 4891 1 10 . 1 1 64 64 ASN H H 64 8.012 8.012 8.035 -0.023 18087 4892 1 10 . 1 1 65 65 GLY N N 65 107.248 107.248 106.999 0.249 18087 4893 1 10 . 1 1 65 65 GLY C C 65 173.971 173.971 174.862 -0.891 18087 4894 1 10 . 1 1 65 65 GLY CA C 65 47.136 47.136 44.854 2.282 18087 4895 1 10 . 1 1 65 65 GLY H H 65 7.989 7.989 7.905 0.084 18087 4896 1 10 . 1 1 66 66 ASP N N 66 116.989 116.989 120.749 -3.760 18087 4897 1 10 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.404 0.384 18087 4898 1 10 . 1 1 66 66 ASP C C 66 177.289 177.289 176.848 0.441 18087 4899 1 10 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.064 -1.898 18087 4900 1 10 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.111 -0.124 18087 4901 1 10 . 1 1 66 66 ASP H H 66 8.233 8.233 7.977 0.256 18087 4902 1 10 . 1 1 67 67 GLY N N 67 108.642 108.642 106.737 1.905 18087 4903 1 10 . 1 1 67 67 GLY C C 67 172.757 172.757 172.890 -0.133 18087 4904 1 10 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.731 -0.515 18087 4905 1 10 . 1 1 67 67 GLY H H 67 8.274 8.274 7.937 0.337 18087 4906 1 10 . 1 1 68 68 GLU N N 68 118.614 118.614 119.424 -0.810 18087 4907 1 10 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.991 -0.036 18087 4908 1 10 . 1 1 68 68 GLU C C 68 175.881 175.881 175.012 0.869 18087 4909 1 10 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.448 -0.083 18087 4910 1 10 . 1 1 68 68 GLU CB C 68 33.488 33.488 33.247 0.241 18087 4911 1 10 . 1 1 68 68 GLU H H 68 8.404 8.404 7.944 0.460 18087 4912 1 10 . 1 1 69 69 VAL N N 69 117.572 117.572 120.899 -3.327 18087 4913 1 10 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.552 0.213 18087 4914 1 10 . 1 1 69 69 VAL C C 69 174.820 174.820 173.633 1.187 18087 4915 1 10 . 1 1 69 69 VAL CA C 69 59.951 59.951 60.107 -0.156 18087 4916 1 10 . 1 1 69 69 VAL CB C 69 34.352 34.352 34.432 -0.080 18087 4917 1 10 . 1 1 69 69 VAL H H 69 9.167 9.167 9.189 -0.022 18087 4918 1 10 . 1 1 70 70 ASP N N 70 122.616 122.616 128.162 -5.546 18087 4919 1 10 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.085 0.129 18087 4920 1 10 . 1 1 70 70 ASP C C 70 175.822 175.822 176.367 -0.545 18087 4921 1 10 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.342 -0.966 18087 4922 1 10 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.933 -1.741 18087 4923 1 10 . 1 1 70 70 ASP H H 70 8.292 8.292 7.834 0.458 18087 4924 1 10 . 1 1 71 71 PHE N N 71 119.243 119.243 119.928 -0.685 18087 4925 1 10 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.691 -0.940 18087 4926 1 10 . 1 1 71 71 PHE C C 71 176.387 176.387 176.957 -0.570 18087 4927 1 10 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.915 1.050 18087 4928 1 10 . 1 1 71 71 PHE CB C 71 39.141 39.141 38.963 0.178 18087 4929 1 10 . 1 1 71 71 PHE H H 71 8.889 8.889 8.548 0.341 18087 4930 1 10 . 1 1 72 72 GLN N N 72 116.655 116.655 116.921 -0.266 18087 4931 1 10 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.787 -0.079 18087 4932 1 10 . 1 1 72 72 GLN C C 72 177.102 177.102 178.203 -1.101 18087 4933 1 10 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.691 -0.416 18087 4934 1 10 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.349 -0.181 18087 4935 1 10 . 1 1 72 72 GLN H H 72 8.021 8.021 8.372 -0.351 18087 4936 1 10 . 1 1 73 73 GLU N N 73 119.195 119.195 119.704 -0.509 18087 4937 1 10 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.047 0.446 18087 4938 1 10 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.470 -4.291 18087 4939 1 10 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.005 2.809 18087 4940 1 10 . 1 1 73 73 GLU H H 73 8.066 8.066 8.130 -0.064 18087 4941 1 10 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.144 -0.058 18087 4942 1 10 . 1 1 74 74 TYR CA C 74 60.497 60.497 61.116 -0.619 18087 4943 1 10 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.633 -0.807 18087 4944 1 10 . 1 1 75 75 VAL N N 75 120.072 120.072 115.665 4.407 18087 4945 1 10 . 1 1 75 75 VAL HA H 75 2.983 2.983 2.948 0.035 18087 4946 1 10 . 1 1 75 75 VAL C C 75 177.295 177.295 177.439 -0.144 18087 4947 1 10 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.874 -0.181 18087 4948 1 10 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.924 -0.306 18087 4949 1 10 . 1 1 75 75 VAL H H 75 8.291 8.291 8.275 0.016 18087 4950 1 10 . 1 1 76 76 VAL N N 76 121.367 121.367 120.631 0.736 18087 4951 1 10 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.508 0.012 18087 4952 1 10 . 1 1 76 76 VAL C C 76 178.847 178.847 177.405 1.442 18087 4953 1 10 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.809 0.744 18087 4954 1 10 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.597 -0.209 18087 4955 1 10 . 1 1 76 76 VAL H H 76 7.571 7.571 7.468 0.103 18087 4956 1 10 . 1 1 77 77 LEU N N 77 123.054 123.054 121.156 1.898 18087 4957 1 10 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.961 0.168 18087 4958 1 10 . 1 1 77 77 LEU C C 77 179.065 179.065 178.292 0.773 18087 4959 1 10 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.246 0.246 18087 4960 1 10 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.481 -0.185 18087 4961 1 10 . 1 1 77 77 LEU H H 77 7.360 7.360 7.982 -0.622 18087 4962 1 10 . 1 1 78 78 VAL N N 78 119.163 119.163 116.093 3.070 18087 4963 1 10 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.517 -0.244 18087 4964 1 10 . 1 1 78 78 VAL C C 78 180.217 180.217 177.849 2.368 18087 4965 1 10 . 1 1 78 78 VAL CA C 78 67.270 67.270 66.192 1.078 18087 4966 1 10 . 1 1 78 78 VAL CB C 78 31.181 31.181 30.562 0.619 18087 4967 1 10 . 1 1 78 78 VAL H H 78 8.192 8.192 7.738 0.454 18087 4968 1 10 . 1 1 79 79 ALA N N 79 125.884 125.884 123.945 1.939 18087 4969 1 10 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.789 0.008 18087 4970 1 10 . 1 1 79 79 ALA C C 79 178.708 178.708 178.820 -0.112 18087 4971 1 10 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.083 0.808 18087 4972 1 10 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.940 -0.577 18087 4973 1 10 . 1 1 79 79 ALA H H 79 9.067 9.067 8.466 0.601 18087 4974 1 10 . 1 1 80 80 ALA N N 80 121.108 121.108 121.905 -0.797 18087 4975 1 10 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.888 0.236 18087 4976 1 10 . 1 1 80 80 ALA C C 80 182.175 182.175 179.513 2.662 18087 4977 1 10 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.163 0.260 18087 4978 1 10 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.021 -0.352 18087 4979 1 10 . 1 1 80 80 ALA H H 80 7.776 7.776 8.671 -0.895 18087 4980 1 10 . 1 1 81 81 LEU N N 81 118.519 118.519 118.356 0.163 18087 4981 1 10 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.793 0.325 18087 4982 1 10 . 1 1 81 81 LEU C C 81 177.959 177.959 179.138 -1.179 18087 4983 1 10 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.754 -0.265 18087 4984 1 10 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.399 0.770 18087 4985 1 10 . 1 1 81 81 LEU H H 81 8.097 8.097 7.965 0.132 18087 4986 1 10 . 1 1 82 82 THR N N 82 119.572 119.572 116.271 3.301 18087 4987 1 10 . 1 1 82 82 THR HA H 82 3.777 3.777 2.658 1.119 18087 4988 1 10 . 1 1 82 82 THR C C 82 176.911 176.911 176.449 0.462 18087 4989 1 10 . 1 1 82 82 THR CA C 82 68.058 68.058 65.773 2.285 18087 4990 1 10 . 1 1 82 82 THR CB C 82 67.402 67.402 67.747 -0.345 18087 4991 1 10 . 1 1 82 82 THR H H 82 8.537 8.537 8.061 0.476 18087 4992 1 10 . 1 1 83 83 VAL N N 83 123.805 123.805 121.987 1.818 18087 4993 1 10 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.435 0.295 18087 4994 1 10 . 1 1 83 83 VAL C C 83 177.787 177.787 176.942 0.845 18087 4995 1 10 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.139 2.255 18087 4996 1 10 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.114 0.577 18087 4997 1 10 . 1 1 83 83 VAL H H 83 8.283 8.283 8.517 -0.234 18087 4998 1 10 . 1 1 84 84 ALA N N 84 121.134 121.134 122.207 -1.073 18087 4999 1 10 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.801 0.435 18087 5000 1 10 . 1 1 84 84 ALA C C 84 180.511 180.511 179.480 1.031 18087 5001 1 10 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.138 0.037 18087 5002 1 10 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.189 -0.763 18087 5003 1 10 . 1 1 84 84 ALA H H 84 7.466 7.466 8.280 -0.814 18087 5004 1 10 . 1 1 85 85 MET N N 85 121.755 121.755 117.857 3.898 18087 5005 1 10 . 1 1 85 85 MET HA H 85 3.796 3.796 3.894 -0.098 18087 5006 1 10 . 1 1 85 85 MET CA C 85 59.656 59.656 58.470 1.186 18087 5007 1 10 . 1 1 85 85 MET CB C 85 33.653 33.653 33.014 0.639 18087 5008 1 10 . 1 1 85 85 MET H H 85 8.549 8.549 8.115 0.434 18087 5009 1 10 . 1 1 86 86 ASN N N 86 119.410 119.410 118.217 1.193 18087 5010 1 10 . 1 1 86 86 ASN HA H 86 4.152 4.152 3.840 0.312 18087 5011 1 10 . 1 1 86 86 ASN C C 86 176.834 176.834 176.423 0.411 18087 5012 1 10 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.160 1.902 18087 5013 1 10 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.306 1.624 18087 5014 1 10 . 1 1 86 86 ASN H H 86 8.615 8.615 8.513 0.102 18087 5015 1 10 . 1 1 87 87 ASN N N 87 117.077 117.077 118.307 -1.230 18087 5016 1 10 . 1 1 87 87 ASN HA H 87 4.446 4.446 3.167 1.279 18087 5017 1 10 . 1 1 87 87 ASN C C 87 176.906 176.906 176.761 0.145 18087 5018 1 10 . 1 1 87 87 ASN CA C 87 55.602 55.602 55.742 -0.140 18087 5019 1 10 . 1 1 87 87 ASN CB C 87 37.576 37.576 37.810 -0.234 18087 5020 1 10 . 1 1 87 87 ASN H H 87 8.286 8.286 7.903 0.383 18087 5021 1 10 . 1 1 88 88 PHE N N 88 119.698 119.698 120.775 -1.077 18087 5022 1 10 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.147 0.331 18087 5023 1 10 . 1 1 88 88 PHE C C 88 177.057 177.057 177.318 -0.261 18087 5024 1 10 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.478 -1.932 18087 5025 1 10 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.735 0.876 18087 5026 1 10 . 1 1 88 88 PHE H H 88 7.909 7.909 7.179 0.730 18087 5027 1 10 . 1 1 89 89 PHE N N 89 116.219 116.219 117.865 -1.646 18087 5028 1 10 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.057 0.153 18087 5029 1 10 . 1 1 89 89 PHE C C 89 177.637 177.637 177.818 -0.181 18087 5030 1 10 . 1 1 89 89 PHE CA C 89 58.752 58.752 60.381 -1.629 18087 5031 1 10 . 1 1 89 89 PHE CB C 89 39.781 39.781 37.763 2.018 18087 5032 1 10 . 1 1 89 89 PHE H H 89 8.049 8.049 7.535 0.514 18087 5033 1 10 . 1 1 90 90 TRP N N 90 117.712 117.712 119.651 -1.939 18087 5034 1 10 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.410 0.118 18087 5035 1 10 . 1 1 90 90 TRP C C 90 176.741 176.741 178.573 -1.832 18087 5036 1 10 . 1 1 90 90 TRP CA C 90 58.109 58.109 58.837 -0.728 18087 5037 1 10 . 1 1 90 90 TRP CB C 90 29.720 29.720 28.474 1.246 18087 5038 1 10 . 1 1 90 90 TRP H H 90 8.257 8.257 8.386 -0.129 18087 5039 1 10 . 1 1 91 91 GLU N N 91 120.493 120.493 117.479 3.014 18087 5040 1 10 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.111 0.317 18087 5041 1 10 . 1 1 91 91 GLU C C 91 176.393 176.393 176.584 -0.191 18087 5042 1 10 . 1 1 91 91 GLU CA C 91 57.193 57.193 58.169 -0.976 18087 5043 1 10 . 1 1 91 91 GLU CB C 91 29.850 29.850 29.833 0.017 18087 5044 1 10 . 1 1 91 91 GLU H H 91 7.988 7.988 8.963 -0.975 18087 5045 1 10 . 1 1 92 92 ASN N N 92 119.006 119.006 120.023 -1.017 18087 5046 1 10 . 1 1 92 92 ASN HA H 92 4.787 4.787 3.914 0.873 18087 5047 1 10 . 1 1 92 92 ASN C C 92 174.284 174.284 173.928 0.356 18087 5048 1 10 . 1 1 92 92 ASN CA C 92 53.198 53.198 54.385 -1.187 18087 5049 1 10 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.014 1.219 18087 5050 1 10 . 1 1 92 92 ASN H H 92 8.203 8.203 8.150 0.053 18087 5051 1 11 . 1 1 2 2 SER N N 2 117.254 117.254 116.692 0.562 18087 5052 1 11 . 1 1 2 2 SER HA H 2 4.737 4.737 4.493 0.244 18087 5053 1 11 . 1 1 2 2 SER C C 2 175.320 175.320 175.455 -0.135 18087 5054 1 11 . 1 1 2 2 SER CA C 2 57.476 57.476 57.739 -0.263 18087 5055 1 11 . 1 1 2 2 SER CB C 2 64.594 64.594 64.302 0.292 18087 5056 1 11 . 1 1 2 2 SER H H 2 8.686 8.686 8.734 -0.048 18087 5057 1 11 . 1 1 3 3 GLU N N 3 124.640 124.640 123.446 1.194 18087 5058 1 11 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.060 0.048 18087 5059 1 11 . 1 1 3 3 GLU C C 3 178.972 178.972 178.525 0.447 18087 5060 1 11 . 1 1 3 3 GLU CA C 3 60.375 60.375 60.368 0.007 18087 5061 1 11 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.285 0.459 18087 5062 1 11 . 1 1 3 3 GLU H H 3 9.242 9.242 8.991 0.251 18087 5063 1 11 . 1 1 4 4 LEU N N 4 119.682 119.682 120.701 -1.019 18087 5064 1 11 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.175 -0.223 18087 5065 1 11 . 1 1 4 4 LEU C C 4 178.027 178.027 179.075 -1.048 18087 5066 1 11 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.432 -0.253 18087 5067 1 11 . 1 1 4 4 LEU CB C 4 42.308 42.308 40.656 1.652 18087 5068 1 11 . 1 1 4 4 LEU H H 4 8.952 8.952 8.284 0.667 18087 5069 1 11 . 1 1 5 5 GLU N N 5 118.542 118.542 118.878 -0.336 18087 5070 1 11 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.071 -0.279 18087 5071 1 11 . 1 1 5 5 GLU C C 5 178.389 178.389 179.130 -0.741 18087 5072 1 11 . 1 1 5 5 GLU CA C 5 60.051 60.051 60.105 -0.054 18087 5073 1 11 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.461 0.522 18087 5074 1 11 . 1 1 5 5 GLU H H 5 7.968 7.968 8.634 -0.666 18087 5075 1 11 . 1 1 6 6 THR N N 6 114.278 114.278 117.432 -3.154 18087 5076 1 11 . 1 1 6 6 THR HA H 6 4.015 4.015 4.009 0.006 18087 5077 1 11 . 1 1 6 6 THR C C 6 176.990 176.990 176.938 0.052 18087 5078 1 11 . 1 1 6 6 THR CA C 6 66.450 66.450 67.129 -0.679 18087 5079 1 11 . 1 1 6 6 THR CB C 6 68.637 68.637 68.629 0.008 18087 5080 1 11 . 1 1 6 6 THR H H 6 8.177 8.177 8.716 -0.539 18087 5081 1 11 . 1 1 7 7 ALA N N 7 126.659 126.659 125.916 0.743 18087 5082 1 11 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.146 0.017 18087 5083 1 11 . 1 1 7 7 ALA C C 7 179.338 179.338 179.428 -0.090 18087 5084 1 11 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.130 0.685 18087 5085 1 11 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.344 -0.160 18087 5086 1 11 . 1 1 7 7 ALA H H 7 8.166 8.166 8.900 -0.734 18087 5087 1 11 . 1 1 8 8 MET N N 8 117.727 117.727 117.529 0.198 18087 5088 1 11 . 1 1 8 8 MET HA H 8 3.731 3.731 4.258 -0.527 18087 5089 1 11 . 1 1 8 8 MET C C 8 178.071 178.071 179.011 -0.940 18087 5090 1 11 . 1 1 8 8 MET CA C 8 60.447 60.447 57.176 3.271 18087 5091 1 11 . 1 1 8 8 MET CB C 8 34.928 34.928 31.361 3.567 18087 5092 1 11 . 1 1 8 8 MET H H 8 8.090 8.090 8.507 -0.417 18087 5093 1 11 . 1 1 9 9 GLU N N 9 117.303 117.303 120.019 -2.716 18087 5094 1 11 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.908 -0.001 18087 5095 1 11 . 1 1 9 9 GLU C C 9 179.261 179.261 179.231 0.030 18087 5096 1 11 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.998 0.032 18087 5097 1 11 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.454 0.045 18087 5098 1 11 . 1 1 9 9 GLU H H 9 8.603 8.603 8.985 -0.382 18087 5099 1 11 . 1 1 10 10 THR N N 10 117.583 117.583 117.648 -0.065 18087 5100 1 11 . 1 1 10 10 THR HA H 10 4.088 4.088 4.073 0.015 18087 5101 1 11 . 1 1 10 10 THR C C 10 175.758 175.758 176.952 -1.194 18087 5102 1 11 . 1 1 10 10 THR CA C 10 67.439 67.439 67.274 0.165 18087 5103 1 11 . 1 1 10 10 THR CB C 10 68.014 68.014 68.607 -0.593 18087 5104 1 11 . 1 1 10 10 THR H H 10 8.483 8.483 8.475 0.008 18087 5105 1 11 . 1 1 11 11 LEU N N 11 119.623 119.623 122.269 -2.646 18087 5106 1 11 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.368 -0.398 18087 5107 1 11 . 1 1 11 11 LEU C C 11 178.935 178.935 179.728 -0.793 18087 5108 1 11 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.347 0.827 18087 5109 1 11 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.837 0.024 18087 5110 1 11 . 1 1 11 11 LEU H H 11 8.013 8.013 8.262 -0.249 18087 5111 1 11 . 1 1 12 12 ILE N N 12 119.751 119.751 120.474 -0.723 18087 5112 1 11 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.448 0.545 18087 5113 1 11 . 1 1 12 12 ILE C C 12 177.717 177.717 178.228 -0.511 18087 5114 1 11 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.092 1.656 18087 5115 1 11 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.344 2.922 18087 5116 1 11 . 1 1 12 12 ILE H H 12 7.708 7.708 8.713 -1.005 18087 5117 1 11 . 1 1 13 13 ASN N N 13 121.260 121.260 119.467 1.793 18087 5118 1 11 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.589 -0.022 18087 5119 1 11 . 1 1 13 13 ASN C C 13 178.941 178.941 178.395 0.546 18087 5120 1 11 . 1 1 13 13 ASN CA C 13 56.339 56.339 56.799 -0.460 18087 5121 1 11 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.221 -0.127 18087 5122 1 11 . 1 1 13 13 ASN H H 13 9.125 9.125 8.957 0.168 18087 5123 1 11 . 1 1 14 14 VAL N N 14 120.868 120.868 120.734 0.134 18087 5124 1 11 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.708 0.159 18087 5125 1 11 . 1 1 14 14 VAL C C 14 177.827 177.827 177.796 0.031 18087 5126 1 11 . 1 1 14 14 VAL CA C 14 66.715 66.715 66.896 -0.181 18087 5127 1 11 . 1 1 14 14 VAL CB C 14 31.902 31.902 32.051 -0.149 18087 5128 1 11 . 1 1 14 14 VAL H H 14 8.965 8.965 8.053 0.912 18087 5129 1 11 . 1 1 15 15 PHE N N 15 117.672 117.672 121.192 -3.520 18087 5130 1 11 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.860 -0.414 18087 5131 1 11 . 1 1 15 15 PHE C C 15 177.713 177.713 177.709 0.004 18087 5132 1 11 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.077 0.364 18087 5133 1 11 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.112 0.069 18087 5134 1 11 . 1 1 15 15 PHE H H 15 6.968 6.968 8.952 -1.984 18087 5135 1 11 . 1 1 16 16 HIS N N 16 115.122 115.122 119.549 -4.427 18087 5136 1 11 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.276 0.093 18087 5137 1 11 . 1 1 16 16 HIS C C 16 176.987 176.987 177.712 -0.725 18087 5138 1 11 . 1 1 16 16 HIS CA C 16 58.413 58.413 60.307 -1.894 18087 5139 1 11 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.543 -1.283 18087 5140 1 11 . 1 1 16 16 HIS H H 16 8.020 8.020 9.185 -1.165 18087 5141 1 11 . 1 1 17 17 ALA N N 17 122.533 122.533 121.922 0.611 18087 5142 1 11 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.928 0.189 18087 5143 1 11 . 1 1 17 17 ALA CA C 17 54.064 54.064 55.244 -1.180 18087 5144 1 11 . 1 1 17 17 ALA CB C 17 17.908 17.908 17.951 -0.043 18087 5145 1 11 . 1 1 17 17 ALA H H 17 8.282 8.282 8.364 -0.082 18087 5146 1 11 . 1 1 18 18 HIS N N 18 113.127 113.127 117.533 -4.406 18087 5147 1 11 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.323 0.085 18087 5148 1 11 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.145 -1.897 18087 5149 1 11 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.447 1.815 18087 5150 1 11 . 1 1 18 18 HIS H H 18 7.124 7.124 8.235 -1.111 18087 5151 1 11 . 1 1 19 19 SER HA H 19 3.963 3.963 4.204 -0.241 18087 5152 1 11 . 1 1 19 19 SER CA C 19 59.969 59.969 62.191 -2.222 18087 5153 1 11 . 1 1 19 19 SER CB C 19 62.416 62.416 62.601 -0.185 18087 5154 1 11 . 1 1 20 20 GLY N N 20 107.243 107.243 108.730 -1.487 18087 5155 1 11 . 1 1 20 20 GLY CA C 20 46.114 46.114 47.066 -0.952 18087 5156 1 11 . 1 1 20 20 GLY H H 20 7.915 7.915 8.665 -0.750 18087 5157 1 11 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.093 -0.136 18087 5158 1 11 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.238 -0.193 18087 5159 1 11 . 1 1 21 21 LYS CB C 21 31.937 31.937 31.690 0.247 18087 5160 1 11 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.122 -0.080 18087 5161 1 11 . 1 1 22 22 GLU CA C 22 58.755 58.755 58.502 0.253 18087 5162 1 11 . 1 1 22 22 GLU CB C 22 30.184 30.184 30.527 -0.344 18087 5163 1 11 . 1 1 23 23 GLY N N 23 111.113 111.113 105.280 5.833 18087 5164 1 11 . 1 1 23 23 GLY CA C 23 46.790 46.790 44.457 2.333 18087 5165 1 11 . 1 1 23 23 GLY H H 23 8.435 8.435 7.848 0.587 18087 5166 1 11 . 1 1 24 24 ASP N N 24 123.994 123.994 120.872 3.122 18087 5167 1 11 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.706 -0.210 18087 5168 1 11 . 1 1 24 24 ASP CA C 24 54.286 54.286 53.133 1.153 18087 5169 1 11 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.435 -0.434 18087 5170 1 11 . 1 1 24 24 ASP H H 24 8.501 8.501 8.062 0.439 18087 5171 1 11 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.091 0.351 18087 5172 1 11 . 1 1 25 25 LYS CA C 25 56.523 56.523 57.903 -1.380 18087 5173 1 11 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.581 0.690 18087 5174 1 11 . 1 1 26 26 TYR N N 26 119.967 119.967 113.567 6.400 18087 5175 1 11 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.778 0.014 18087 5176 1 11 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.677 0.342 18087 5177 1 11 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.919 -0.488 18087 5178 1 11 . 1 1 26 26 TYR H H 26 8.712 8.712 8.327 0.385 18087 5179 1 11 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.937 0.362 18087 5180 1 11 . 1 1 27 27 LYS C C 27 174.308 174.308 173.340 0.968 18087 5181 1 11 . 1 1 27 27 LYS CA C 27 54.365 54.365 55.256 -0.891 18087 5182 1 11 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.400 -0.006 18087 5183 1 11 . 1 1 28 28 LEU N N 28 121.194 121.194 122.763 -1.569 18087 5184 1 11 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.840 -0.120 18087 5185 1 11 . 1 1 28 28 LEU C C 28 178.895 178.895 174.779 4.116 18087 5186 1 11 . 1 1 28 28 LEU CA C 28 52.968 52.968 53.125 -0.157 18087 5187 1 11 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.256 0.955 18087 5188 1 11 . 1 1 28 28 LEU H H 28 8.632 8.632 8.644 -0.012 18087 5189 1 11 . 1 1 29 29 SER N N 29 119.705 119.705 122.122 -2.417 18087 5190 1 11 . 1 1 29 29 SER HA H 29 4.987 4.987 4.901 0.086 18087 5191 1 11 . 1 1 29 29 SER C C 29 175.742 175.742 175.020 0.722 18087 5192 1 11 . 1 1 29 29 SER CA C 29 57.873 57.873 56.858 1.015 18087 5193 1 11 . 1 1 29 29 SER CB C 29 64.531 64.531 65.210 -0.679 18087 5194 1 11 . 1 1 29 29 SER H H 29 8.901 8.901 10.082 -1.181 18087 5195 1 11 . 1 1 30 30 LYS N N 30 124.208 124.208 121.081 3.127 18087 5196 1 11 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.273 -0.459 18087 5197 1 11 . 1 1 30 30 LYS C C 30 178.469 178.469 178.650 -0.181 18087 5198 1 11 . 1 1 30 30 LYS CA C 30 61.433 61.433 57.022 4.411 18087 5199 1 11 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.548 0.721 18087 5200 1 11 . 1 1 30 30 LYS H H 30 8.836 8.836 8.903 -0.067 18087 5201 1 11 . 1 1 31 31 LYS N N 31 119.570 119.570 121.202 -1.632 18087 5202 1 11 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.076 -0.030 18087 5203 1 11 . 1 1 31 31 LYS C C 31 179.409 179.409 178.354 1.055 18087 5204 1 11 . 1 1 31 31 LYS CA C 31 59.223 59.223 59.317 -0.094 18087 5205 1 11 . 1 1 31 31 LYS CB C 31 32.386 32.386 32.266 0.120 18087 5206 1 11 . 1 1 31 31 LYS H H 31 8.597 8.597 7.758 0.839 18087 5207 1 11 . 1 1 32 32 GLU N N 32 119.551 119.551 117.579 1.972 18087 5208 1 11 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.407 -0.361 18087 5209 1 11 . 1 1 32 32 GLU CA C 32 58.998 58.998 57.512 1.486 18087 5210 1 11 . 1 1 32 32 GLU CB C 32 28.470 28.470 30.695 -2.225 18087 5211 1 11 . 1 1 32 32 GLU H H 32 7.442 7.442 8.615 -1.173 18087 5212 1 11 . 1 1 33 33 LEU N N 33 121.725 121.725 121.545 0.180 18087 5213 1 11 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.911 0.157 18087 5214 1 11 . 1 1 33 33 LEU C C 33 177.279 177.279 178.193 -0.914 18087 5215 1 11 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.541 -1.145 18087 5216 1 11 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.586 -1.001 18087 5217 1 11 . 1 1 33 33 LEU H H 33 8.579 8.579 8.240 0.339 18087 5218 1 11 . 1 1 34 34 LYS N N 34 120.543 120.543 117.578 2.965 18087 5219 1 11 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.962 -0.326 18087 5220 1 11 . 1 1 34 34 LYS C C 34 177.868 177.868 178.930 -1.062 18087 5221 1 11 . 1 1 34 34 LYS CA C 34 60.704 60.704 60.049 0.655 18087 5222 1 11 . 1 1 34 34 LYS CB C 34 31.870 31.870 32.222 -0.352 18087 5223 1 11 . 1 1 34 34 LYS H H 34 8.618 8.618 7.442 1.176 18087 5224 1 11 . 1 1 35 35 GLU N N 35 117.340 117.340 118.961 -1.621 18087 5225 1 11 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.112 -0.105 18087 5226 1 11 . 1 1 35 35 GLU C C 35 179.008 179.008 179.144 -0.136 18087 5227 1 11 . 1 1 35 35 GLU CA C 35 59.366 59.366 58.712 0.654 18087 5228 1 11 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.183 0.012 18087 5229 1 11 . 1 1 35 35 GLU H H 35 7.713 7.713 7.866 -0.153 18087 5230 1 11 . 1 1 36 36 LEU N N 36 122.745 122.745 123.579 -0.834 18087 5231 1 11 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.956 0.057 18087 5232 1 11 . 1 1 36 36 LEU C C 36 178.646 178.646 178.164 0.482 18087 5233 1 11 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.148 0.228 18087 5234 1 11 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.177 0.711 18087 5235 1 11 . 1 1 36 36 LEU H H 36 8.150 8.150 8.780 -0.630 18087 5236 1 11 . 1 1 37 37 LEU N N 37 118.881 118.881 119.404 -0.523 18087 5237 1 11 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.039 -0.291 18087 5238 1 11 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.573 -0.212 18087 5239 1 11 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.125 0.288 18087 5240 1 11 . 1 1 37 37 LEU H H 37 8.495 8.495 8.883 -0.388 18087 5241 1 11 . 1 1 38 38 GLN N N 38 115.311 115.311 116.890 -1.579 18087 5242 1 11 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.050 -0.261 18087 5243 1 11 . 1 1 38 38 GLN C C 38 177.826 177.826 178.176 -0.350 18087 5244 1 11 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.631 0.229 18087 5245 1 11 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.105 0.216 18087 5246 1 11 . 1 1 38 38 GLN H H 38 8.348 8.348 7.677 0.671 18087 5247 1 11 . 1 1 39 39 THR N N 39 112.151 112.151 116.290 -4.139 18087 5248 1 11 . 1 1 39 39 THR HA H 39 4.186 4.186 4.097 0.089 18087 5249 1 11 . 1 1 39 39 THR C C 39 177.166 177.166 177.600 -0.434 18087 5250 1 11 . 1 1 39 39 THR CA C 39 65.284 65.284 66.460 -1.176 18087 5251 1 11 . 1 1 39 39 THR CB C 39 69.179 69.179 68.793 0.385 18087 5252 1 11 . 1 1 39 39 THR H H 39 7.872 7.872 8.122 -0.250 18087 5253 1 11 . 1 1 40 40 GLU N N 40 119.602 119.602 120.738 -1.136 18087 5254 1 11 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.298 0.068 18087 5255 1 11 . 1 1 40 40 GLU C C 40 178.228 178.228 178.164 0.064 18087 5256 1 11 . 1 1 40 40 GLU CA C 40 58.623 58.623 57.936 0.687 18087 5257 1 11 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.840 1.093 18087 5258 1 11 . 1 1 40 40 GLU H H 40 8.713 8.713 8.707 0.006 18087 5259 1 11 . 1 1 41 41 LEU N N 41 118.018 118.018 120.772 -2.754 18087 5260 1 11 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.671 0.461 18087 5261 1 11 . 1 1 41 41 LEU C C 41 176.993 176.993 177.098 -0.105 18087 5262 1 11 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.907 -1.088 18087 5263 1 11 . 1 1 41 41 LEU CB C 41 41.962 41.962 40.203 1.759 18087 5264 1 11 . 1 1 41 41 LEU H H 41 8.243 8.243 7.922 0.321 18087 5265 1 11 . 1 1 42 42 SER N N 42 114.483 114.483 117.008 -2.525 18087 5266 1 11 . 1 1 42 42 SER HA H 42 3.950 3.950 4.145 -0.195 18087 5267 1 11 . 1 1 42 42 SER C C 42 176.651 176.651 177.086 -0.435 18087 5268 1 11 . 1 1 42 42 SER CA C 42 62.225 62.225 62.204 0.021 18087 5269 1 11 . 1 1 42 42 SER CB C 42 62.675 62.675 62.482 0.193 18087 5270 1 11 . 1 1 42 42 SER H H 42 7.019 7.019 7.493 -0.474 18087 5271 1 11 . 1 1 43 43 GLY N N 43 109.381 109.381 108.762 0.619 18087 5272 1 11 . 1 1 43 43 GLY C C 43 176.476 176.476 175.749 0.727 18087 5273 1 11 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.820 0.199 18087 5274 1 11 . 1 1 43 43 GLY H H 43 8.666 8.666 8.923 -0.257 18087 5275 1 11 . 1 1 44 44 PHE N N 44 124.390 124.390 121.870 2.520 18087 5276 1 11 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.747 -0.420 18087 5277 1 11 . 1 1 44 44 PHE C C 44 176.516 176.516 178.120 -1.604 18087 5278 1 11 . 1 1 44 44 PHE CA C 44 60.094 60.094 60.249 -0.155 18087 5279 1 11 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.861 0.363 18087 5280 1 11 . 1 1 44 44 PHE H H 44 8.226 8.226 7.728 0.498 18087 5281 1 11 . 1 1 45 45 LEU N N 45 117.156 117.156 120.151 -2.995 18087 5282 1 11 . 1 1 45 45 LEU HA H 45 3.418 3.418 4.029 -0.611 18087 5283 1 11 . 1 1 45 45 LEU C C 45 179.673 179.673 179.119 0.554 18087 5284 1 11 . 1 1 45 45 LEU CA C 45 57.522 57.522 58.091 -0.569 18087 5285 1 11 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.691 -1.077 18087 5286 1 11 . 1 1 45 45 LEU H H 45 8.627 8.627 9.028 -0.401 18087 5287 1 11 . 1 1 46 46 ASP N N 46 117.663 117.663 120.236 -2.573 18087 5288 1 11 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.388 -0.043 18087 5289 1 11 . 1 1 46 46 ASP C C 46 177.844 177.844 178.601 -0.757 18087 5290 1 11 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.238 -0.454 18087 5291 1 11 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.963 0.167 18087 5292 1 11 . 1 1 46 46 ASP H H 46 7.933 7.933 8.705 -0.772 18087 5293 1 11 . 1 1 47 47 ALA N N 47 119.795 119.795 119.810 -0.015 18087 5294 1 11 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.216 -0.013 18087 5295 1 11 . 1 1 47 47 ALA C C 47 179.300 179.300 178.450 0.850 18087 5296 1 11 . 1 1 47 47 ALA CA C 47 53.362 53.362 53.944 -0.582 18087 5297 1 11 . 1 1 47 47 ALA CB C 47 19.011 19.011 18.713 0.298 18087 5298 1 11 . 1 1 47 47 ALA H H 47 7.380 7.380 8.072 -0.692 18087 5299 1 11 . 1 1 48 48 GLN N N 48 115.955 115.955 115.080 0.875 18087 5300 1 11 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.585 -0.315 18087 5301 1 11 . 1 1 48 48 GLN C C 48 175.355 175.355 177.260 -1.905 18087 5302 1 11 . 1 1 48 48 GLN CA C 48 54.026 54.026 55.256 -1.230 18087 5303 1 11 . 1 1 48 48 GLN CB C 48 28.560 28.560 29.000 -0.441 18087 5304 1 11 . 1 1 48 48 GLN H H 48 7.369 7.369 7.795 -0.426 18087 5305 1 11 . 1 1 49 49 LYS N N 49 119.402 119.402 120.019 -0.617 18087 5306 1 11 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.043 -0.027 18087 5307 1 11 . 1 1 49 49 LYS C C 49 176.255 176.255 177.188 -0.933 18087 5308 1 11 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.587 -1.403 18087 5309 1 11 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.274 -0.171 18087 5310 1 11 . 1 1 49 49 LYS H H 49 7.152 7.152 7.353 -0.201 18087 5311 1 11 . 1 1 50 50 ASP N N 50 117.172 117.172 114.888 2.284 18087 5312 1 11 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.552 0.043 18087 5313 1 11 . 1 1 50 50 ASP C C 50 175.916 175.916 176.023 -0.107 18087 5314 1 11 . 1 1 50 50 ASP CA C 50 54.217 54.217 53.806 0.410 18087 5315 1 11 . 1 1 50 50 ASP CB C 50 40.309 40.309 40.221 0.088 18087 5316 1 11 . 1 1 50 50 ASP H H 50 8.338 8.338 8.387 -0.049 18087 5317 1 11 . 1 1 51 51 VAL N N 51 121.648 121.648 121.029 0.619 18087 5318 1 11 . 1 1 51 51 VAL HA H 51 3.997 3.997 4.268 -0.271 18087 5319 1 11 . 1 1 51 51 VAL C C 51 177.128 177.128 175.204 1.924 18087 5320 1 11 . 1 1 51 51 VAL CA C 51 62.404 62.404 61.203 1.201 18087 5321 1 11 . 1 1 51 51 VAL CB C 51 31.921 31.921 34.378 -2.457 18087 5322 1 11 . 1 1 51 51 VAL H H 51 7.604 7.604 7.694 -0.090 18087 5323 1 11 . 1 1 52 52 ASP N N 52 129.202 129.202 127.636 1.566 18087 5324 1 11 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.347 -0.074 18087 5325 1 11 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.117 1.066 18087 5326 1 11 . 1 1 52 52 ASP CB C 52 40.935 40.935 41.004 -0.069 18087 5327 1 11 . 1 1 52 52 ASP H H 52 8.702 8.702 9.017 -0.315 18087 5328 1 11 . 1 1 53 53 ALA N N 53 118.401 118.401 121.765 -3.364 18087 5329 1 11 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.086 -0.074 18087 5330 1 11 . 1 1 53 53 ALA C C 53 179.448 179.448 179.366 0.082 18087 5331 1 11 . 1 1 53 53 ALA CA C 53 55.053 55.053 54.912 0.141 18087 5332 1 11 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.240 1.124 18087 5333 1 11 . 1 1 53 53 ALA H H 53 8.478 8.478 8.306 0.172 18087 5334 1 11 . 1 1 54 54 VAL N N 54 115.050 115.050 117.851 -2.801 18087 5335 1 11 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.612 -0.070 18087 5336 1 11 . 1 1 54 54 VAL C C 54 177.000 177.000 176.944 0.056 18087 5337 1 11 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.513 -1.292 18087 5338 1 11 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.730 0.329 18087 5339 1 11 . 1 1 54 54 VAL H H 54 6.988 6.988 7.901 -0.913 18087 5340 1 11 . 1 1 55 55 ASP N N 55 120.834 120.834 119.647 1.187 18087 5341 1 11 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.313 -0.035 18087 5342 1 11 . 1 1 55 55 ASP C C 55 178.307 178.307 178.397 -0.090 18087 5343 1 11 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.793 -0.170 18087 5344 1 11 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.636 1.141 18087 5345 1 11 . 1 1 55 55 ASP H H 55 8.157 8.157 7.972 0.185 18087 5346 1 11 . 1 1 56 56 LYS N N 56 115.672 115.672 119.991 -4.319 18087 5347 1 11 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.086 -0.198 18087 5348 1 11 . 1 1 56 56 LYS C C 56 179.372 179.372 179.192 0.180 18087 5349 1 11 . 1 1 56 56 LYS CA C 56 59.608 59.608 59.331 0.277 18087 5350 1 11 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.397 -0.019 18087 5351 1 11 . 1 1 56 56 LYS H H 56 8.348 8.348 7.486 0.862 18087 5352 1 11 . 1 1 57 57 VAL N N 57 118.238 118.238 121.426 -3.188 18087 5353 1 11 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.525 0.204 18087 5354 1 11 . 1 1 57 57 VAL C C 57 177.541 177.541 178.128 -0.587 18087 5355 1 11 . 1 1 57 57 VAL CA C 57 65.702 65.702 67.117 -1.415 18087 5356 1 11 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.648 0.270 18087 5357 1 11 . 1 1 57 57 VAL H H 57 7.003 7.003 8.846 -1.843 18087 5358 1 11 . 1 1 58 58 MET N N 58 115.998 115.998 118.292 -2.294 18087 5359 1 11 . 1 1 58 58 MET HA H 58 4.313 4.313 4.112 0.201 18087 5360 1 11 . 1 1 58 58 MET C C 58 179.857 179.857 178.681 1.176 18087 5361 1 11 . 1 1 58 58 MET CA C 58 56.717 56.717 58.585 -1.868 18087 5362 1 11 . 1 1 58 58 MET CB C 58 32.366 32.366 31.688 0.678 18087 5363 1 11 . 1 1 58 58 MET H H 58 7.836 7.836 8.784 -0.948 18087 5364 1 11 . 1 1 59 59 LYS N N 59 119.682 119.682 120.506 -0.824 18087 5365 1 11 . 1 1 59 59 LYS HA H 59 4.088 4.088 4.032 0.056 18087 5366 1 11 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.220 0.222 18087 5367 1 11 . 1 1 59 59 LYS CB C 59 32.504 32.504 31.985 0.519 18087 5368 1 11 . 1 1 59 59 LYS H H 59 8.619 8.619 8.773 -0.154 18087 5369 1 11 . 1 1 60 60 GLU N N 60 119.917 119.917 120.584 -0.667 18087 5370 1 11 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.089 -0.153 18087 5371 1 11 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.390 -0.150 18087 5372 1 11 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.153 0.936 18087 5373 1 11 . 1 1 60 60 GLU H H 60 7.721 7.721 8.748 -1.027 18087 5374 1 11 . 1 1 61 61 LEU N N 61 116.614 116.614 118.976 -2.362 18087 5375 1 11 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.072 -0.049 18087 5376 1 11 . 1 1 61 61 LEU C C 61 175.845 175.845 179.015 -3.170 18087 5377 1 11 . 1 1 61 61 LEU CA C 61 56.515 56.515 58.597 -2.082 18087 5378 1 11 . 1 1 61 61 LEU CB C 61 41.218 41.218 40.974 0.244 18087 5379 1 11 . 1 1 61 61 LEU H H 61 7.429 7.429 8.258 -0.829 18087 5380 1 11 . 1 1 62 62 ASP N N 62 116.147 116.147 120.180 -4.033 18087 5381 1 11 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.339 0.184 18087 5382 1 11 . 1 1 62 62 ASP C C 62 177.790 177.790 178.721 -0.931 18087 5383 1 11 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.561 -2.135 18087 5384 1 11 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.828 1.052 18087 5385 1 11 . 1 1 62 62 ASP H H 62 7.423 7.423 8.611 -1.188 18087 5386 1 11 . 1 1 63 63 GLU N N 63 119.660 119.660 119.409 0.251 18087 5387 1 11 . 1 1 63 63 GLU HA H 63 4.136 4.136 3.969 0.167 18087 5388 1 11 . 1 1 63 63 GLU CA C 63 57.377 57.377 59.301 -1.924 18087 5389 1 11 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.228 0.761 18087 5390 1 11 . 1 1 63 63 GLU H H 63 7.837 7.837 8.824 -0.987 18087 5391 1 11 . 1 1 64 64 ASN N N 64 118.376 118.376 118.001 0.375 18087 5392 1 11 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.549 0.313 18087 5393 1 11 . 1 1 64 64 ASN C C 64 176.216 176.216 177.775 -1.559 18087 5394 1 11 . 1 1 64 64 ASN CA C 64 52.688 52.688 54.710 -2.022 18087 5395 1 11 . 1 1 64 64 ASN CB C 64 38.185 38.185 38.675 -0.490 18087 5396 1 11 . 1 1 64 64 ASN H H 64 8.012 8.012 8.299 -0.287 18087 5397 1 11 . 1 1 65 65 GLY N N 65 107.248 107.248 108.193 -0.945 18087 5398 1 11 . 1 1 65 65 GLY C C 65 173.971 173.971 174.602 -0.631 18087 5399 1 11 . 1 1 65 65 GLY CA C 65 47.136 47.136 45.003 2.133 18087 5400 1 11 . 1 1 65 65 GLY H H 65 7.989 7.989 8.669 -0.680 18087 5401 1 11 . 1 1 66 66 ASP N N 66 116.989 116.989 121.894 -4.905 18087 5402 1 11 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.434 0.354 18087 5403 1 11 . 1 1 66 66 ASP C C 66 177.289 177.289 177.085 0.204 18087 5404 1 11 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.709 -2.543 18087 5405 1 11 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.076 -0.089 18087 5406 1 11 . 1 1 66 66 ASP H H 66 8.233 8.233 8.533 -0.300 18087 5407 1 11 . 1 1 67 67 GLY N N 67 108.642 108.642 106.741 1.901 18087 5408 1 11 . 1 1 67 67 GLY C C 67 172.757 172.757 173.360 -0.603 18087 5409 1 11 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.669 -0.453 18087 5410 1 11 . 1 1 67 67 GLY H H 67 8.274 8.274 7.842 0.432 18087 5411 1 11 . 1 1 68 68 GLU N N 68 118.614 118.614 117.569 1.045 18087 5412 1 11 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.666 0.289 18087 5413 1 11 . 1 1 68 68 GLU C C 68 175.881 175.881 174.486 1.395 18087 5414 1 11 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.316 0.049 18087 5415 1 11 . 1 1 68 68 GLU CB C 68 33.488 33.488 32.578 0.910 18087 5416 1 11 . 1 1 68 68 GLU H H 68 8.404 8.404 7.891 0.513 18087 5417 1 11 . 1 1 69 69 VAL N N 69 117.572 117.572 121.348 -3.776 18087 5418 1 11 . 1 1 69 69 VAL HA H 69 4.765 4.765 5.107 -0.342 18087 5419 1 11 . 1 1 69 69 VAL C C 69 174.820 174.820 173.894 0.926 18087 5420 1 11 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.574 0.377 18087 5421 1 11 . 1 1 69 69 VAL CB C 69 34.352 34.352 34.920 -0.569 18087 5422 1 11 . 1 1 69 69 VAL H H 69 9.167 9.167 9.219 -0.052 18087 5423 1 11 . 1 1 70 70 ASP N N 70 122.616 122.616 128.324 -5.708 18087 5424 1 11 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.107 0.107 18087 5425 1 11 . 1 1 70 70 ASP C C 70 175.822 175.822 176.341 -0.519 18087 5426 1 11 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.507 -1.131 18087 5427 1 11 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.561 -1.369 18087 5428 1 11 . 1 1 70 70 ASP H H 70 8.292 8.292 9.004 -0.712 18087 5429 1 11 . 1 1 71 71 PHE N N 71 119.243 119.243 119.572 -0.329 18087 5430 1 11 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.663 -0.912 18087 5431 1 11 . 1 1 71 71 PHE C C 71 176.387 176.387 177.018 -0.631 18087 5432 1 11 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.620 1.345 18087 5433 1 11 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.047 0.094 18087 5434 1 11 . 1 1 71 71 PHE H H 71 8.889 8.889 8.774 0.115 18087 5435 1 11 . 1 1 72 72 GLN N N 72 116.655 116.655 117.402 -0.747 18087 5436 1 11 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.731 -0.023 18087 5437 1 11 . 1 1 72 72 GLN C C 72 177.102 177.102 178.391 -1.289 18087 5438 1 11 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.213 0.062 18087 5439 1 11 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.550 -0.383 18087 5440 1 11 . 1 1 72 72 GLN H H 72 8.021 8.021 9.105 -1.084 18087 5441 1 11 . 1 1 73 73 GLU N N 73 119.195 119.195 120.217 -1.022 18087 5442 1 11 . 1 1 73 73 GLU HA H 73 4.493 4.493 3.985 0.508 18087 5443 1 11 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.233 -4.053 18087 5444 1 11 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.675 2.139 18087 5445 1 11 . 1 1 73 73 GLU H H 73 8.066 8.066 8.858 -0.792 18087 5446 1 11 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.118 -0.032 18087 5447 1 11 . 1 1 74 74 TYR CA C 74 60.497 60.497 61.141 -0.644 18087 5448 1 11 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.521 -0.695 18087 5449 1 11 . 1 1 75 75 VAL N N 75 120.072 120.072 117.487 2.585 18087 5450 1 11 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.020 -0.037 18087 5451 1 11 . 1 1 75 75 VAL C C 75 177.295 177.295 177.060 0.235 18087 5452 1 11 . 1 1 75 75 VAL CA C 75 65.692 65.692 66.627 -0.935 18087 5453 1 11 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.882 -0.264 18087 5454 1 11 . 1 1 75 75 VAL H H 75 8.291 8.291 8.201 0.090 18087 5455 1 11 . 1 1 76 76 VAL N N 76 121.367 121.367 119.959 1.408 18087 5456 1 11 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.527 -0.007 18087 5457 1 11 . 1 1 76 76 VAL C C 76 178.847 178.847 177.270 1.577 18087 5458 1 11 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.943 0.610 18087 5459 1 11 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.582 -0.194 18087 5460 1 11 . 1 1 76 76 VAL H H 76 7.571 7.571 7.507 0.064 18087 5461 1 11 . 1 1 77 77 LEU N N 77 123.054 123.054 121.340 1.714 18087 5462 1 11 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.963 0.166 18087 5463 1 11 . 1 1 77 77 LEU C C 77 179.065 179.065 177.996 1.069 18087 5464 1 11 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.272 0.220 18087 5465 1 11 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.673 -0.377 18087 5466 1 11 . 1 1 77 77 LEU H H 77 7.360 7.360 8.156 -0.796 18087 5467 1 11 . 1 1 78 78 VAL N N 78 119.163 119.163 115.823 3.340 18087 5468 1 11 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.535 -0.262 18087 5469 1 11 . 1 1 78 78 VAL C C 78 180.217 180.217 177.781 2.436 18087 5470 1 11 . 1 1 78 78 VAL CA C 78 67.270 67.270 66.042 1.228 18087 5471 1 11 . 1 1 78 78 VAL CB C 78 31.181 31.181 30.876 0.305 18087 5472 1 11 . 1 1 78 78 VAL H H 78 8.192 8.192 7.807 0.385 18087 5473 1 11 . 1 1 79 79 ALA N N 79 125.884 125.884 123.504 2.380 18087 5474 1 11 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.820 -0.023 18087 5475 1 11 . 1 1 79 79 ALA C C 79 178.708 178.708 178.908 -0.200 18087 5476 1 11 . 1 1 79 79 ALA CA C 79 55.891 55.891 54.871 1.020 18087 5477 1 11 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.991 -0.628 18087 5478 1 11 . 1 1 79 79 ALA H H 79 9.067 9.067 8.596 0.471 18087 5479 1 11 . 1 1 80 80 ALA N N 80 121.108 121.108 121.941 -0.833 18087 5480 1 11 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.934 0.190 18087 5481 1 11 . 1 1 80 80 ALA C C 80 182.175 182.175 179.599 2.576 18087 5482 1 11 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.222 0.201 18087 5483 1 11 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.036 -0.367 18087 5484 1 11 . 1 1 80 80 ALA H H 80 7.776 7.776 8.724 -0.948 18087 5485 1 11 . 1 1 81 81 LEU N N 81 118.519 118.519 118.295 0.224 18087 5486 1 11 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.955 0.163 18087 5487 1 11 . 1 1 81 81 LEU C C 81 177.959 177.959 179.389 -1.430 18087 5488 1 11 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.842 -0.353 18087 5489 1 11 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.571 0.598 18087 5490 1 11 . 1 1 81 81 LEU H H 81 8.097 8.097 7.737 0.360 18087 5491 1 11 . 1 1 82 82 THR N N 82 119.572 119.572 116.297 3.275 18087 5492 1 11 . 1 1 82 82 THR HA H 82 3.777 3.777 3.456 0.321 18087 5493 1 11 . 1 1 82 82 THR C C 82 176.911 176.911 176.491 0.420 18087 5494 1 11 . 1 1 82 82 THR CA C 82 68.058 68.058 67.159 0.899 18087 5495 1 11 . 1 1 82 82 THR CB C 82 67.402 67.402 68.120 -0.717 18087 5496 1 11 . 1 1 82 82 THR H H 82 8.537 8.537 8.279 0.258 18087 5497 1 11 . 1 1 83 83 VAL N N 83 123.805 123.805 121.644 2.161 18087 5498 1 11 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.699 0.031 18087 5499 1 11 . 1 1 83 83 VAL C C 83 177.787 177.787 177.355 0.432 18087 5500 1 11 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.693 1.701 18087 5501 1 11 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.117 0.574 18087 5502 1 11 . 1 1 83 83 VAL H H 83 8.283 8.283 8.713 -0.430 18087 5503 1 11 . 1 1 84 84 ALA N N 84 121.134 121.134 122.351 -1.217 18087 5504 1 11 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.937 0.299 18087 5505 1 11 . 1 1 84 84 ALA C C 84 180.511 180.511 179.752 0.759 18087 5506 1 11 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.218 -0.043 18087 5507 1 11 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.337 -0.910 18087 5508 1 11 . 1 1 84 84 ALA H H 84 7.466 7.466 8.164 -0.698 18087 5509 1 11 . 1 1 85 85 MET N N 85 121.755 121.755 118.165 3.590 18087 5510 1 11 . 1 1 85 85 MET HA H 85 3.796 3.796 4.570 -0.774 18087 5511 1 11 . 1 1 85 85 MET CA C 85 59.656 59.656 59.319 0.337 18087 5512 1 11 . 1 1 85 85 MET CB C 85 33.653 33.653 33.397 0.256 18087 5513 1 11 . 1 1 85 85 MET H H 85 8.549 8.549 8.691 -0.142 18087 5514 1 11 . 1 1 86 86 ASN N N 86 119.410 119.410 119.005 0.405 18087 5515 1 11 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.795 -0.643 18087 5516 1 11 . 1 1 86 86 ASN C C 86 176.834 176.834 177.385 -0.551 18087 5517 1 11 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.968 1.094 18087 5518 1 11 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.452 1.478 18087 5519 1 11 . 1 1 86 86 ASN H H 86 8.615 8.615 9.170 -0.555 18087 5520 1 11 . 1 1 87 87 ASN N N 87 117.077 117.077 119.710 -2.633 18087 5521 1 11 . 1 1 87 87 ASN HA H 87 4.446 4.446 4.675 -0.229 18087 5522 1 11 . 1 1 87 87 ASN C C 87 176.906 176.906 177.191 -0.285 18087 5523 1 11 . 1 1 87 87 ASN CA C 87 55.602 55.602 56.454 -0.852 18087 5524 1 11 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.431 -0.855 18087 5525 1 11 . 1 1 87 87 ASN H H 87 8.286 8.286 8.601 -0.315 18087 5526 1 11 . 1 1 88 88 PHE N N 88 119.698 119.698 118.230 1.468 18087 5527 1 11 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.224 0.254 18087 5528 1 11 . 1 1 88 88 PHE C C 88 177.057 177.057 177.740 -0.683 18087 5529 1 11 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.515 -1.969 18087 5530 1 11 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.357 1.254 18087 5531 1 11 . 1 1 88 88 PHE H H 88 7.909 7.909 7.794 0.115 18087 5532 1 11 . 1 1 89 89 PHE N N 89 116.219 116.219 118.359 -2.140 18087 5533 1 11 . 1 1 89 89 PHE HA H 89 4.210 4.210 3.881 0.329 18087 5534 1 11 . 1 1 89 89 PHE C C 89 177.637 177.637 176.285 1.352 18087 5535 1 11 . 1 1 89 89 PHE CA C 89 58.752 58.752 61.797 -3.045 18087 5536 1 11 . 1 1 89 89 PHE CB C 89 39.781 39.781 37.982 1.799 18087 5537 1 11 . 1 1 89 89 PHE H H 89 8.049 8.049 7.810 0.239 18087 5538 1 11 . 1 1 90 90 TRP N N 90 117.712 117.712 116.076 1.636 18087 5539 1 11 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.447 0.081 18087 5540 1 11 . 1 1 90 90 TRP C C 90 176.741 176.741 177.776 -1.035 18087 5541 1 11 . 1 1 90 90 TRP CA C 90 58.109 58.109 58.525 -0.416 18087 5542 1 11 . 1 1 90 90 TRP CB C 90 29.720 29.720 29.314 0.406 18087 5543 1 11 . 1 1 90 90 TRP H H 90 8.257 8.257 7.013 1.244 18087 5544 1 11 . 1 1 91 91 GLU N N 91 120.493 120.493 116.533 3.960 18087 5545 1 11 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.220 0.208 18087 5546 1 11 . 1 1 91 91 GLU C C 91 176.393 176.393 177.504 -1.111 18087 5547 1 11 . 1 1 91 91 GLU CA C 91 57.193 57.193 57.460 -0.267 18087 5548 1 11 . 1 1 91 91 GLU CB C 91 29.850 29.850 30.054 -0.204 18087 5549 1 11 . 1 1 91 91 GLU H H 91 7.988 7.988 7.835 0.153 18087 5550 1 11 . 1 1 92 92 ASN N N 92 119.006 119.006 119.687 -0.681 18087 5551 1 11 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.559 0.228 18087 5552 1 11 . 1 1 92 92 ASN C C 92 174.284 174.284 173.895 0.389 18087 5553 1 11 . 1 1 92 92 ASN CA C 92 53.198 53.198 54.464 -1.266 18087 5554 1 11 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.552 0.681 18087 5555 1 11 . 1 1 92 92 ASN H H 92 8.203 8.203 8.500 -0.297 18087 5556 1 12 . 1 1 2 2 SER N N 2 117.254 117.254 116.090 1.164 18087 5557 1 12 . 1 1 2 2 SER HA H 2 4.737 4.737 4.519 0.218 18087 5558 1 12 . 1 1 2 2 SER C C 2 175.320 175.320 175.611 -0.291 18087 5559 1 12 . 1 1 2 2 SER CA C 2 57.476 57.476 57.348 0.128 18087 5560 1 12 . 1 1 2 2 SER CB C 2 64.594 64.594 64.199 0.395 18087 5561 1 12 . 1 1 2 2 SER H H 2 8.686 8.686 7.739 0.947 18087 5562 1 12 . 1 1 3 3 GLU N N 3 124.640 124.640 121.054 3.586 18087 5563 1 12 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.018 0.090 18087 5564 1 12 . 1 1 3 3 GLU C C 3 178.972 178.972 178.597 0.375 18087 5565 1 12 . 1 1 3 3 GLU CA C 3 60.375 60.375 59.654 0.721 18087 5566 1 12 . 1 1 3 3 GLU CB C 3 29.744 29.744 28.949 0.795 18087 5567 1 12 . 1 1 3 3 GLU H H 3 9.242 9.242 8.713 0.529 18087 5568 1 12 . 1 1 4 4 LEU N N 4 119.682 119.682 119.739 -0.057 18087 5569 1 12 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.052 -0.100 18087 5570 1 12 . 1 1 4 4 LEU C C 4 178.027 178.027 179.219 -1.192 18087 5571 1 12 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.147 0.032 18087 5572 1 12 . 1 1 4 4 LEU CB C 4 42.308 42.308 40.883 1.425 18087 5573 1 12 . 1 1 4 4 LEU H H 4 8.952 8.952 8.178 0.774 18087 5574 1 12 . 1 1 5 5 GLU N N 5 118.542 118.542 119.235 -0.693 18087 5575 1 12 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.020 -0.228 18087 5576 1 12 . 1 1 5 5 GLU C C 5 178.389 178.389 179.011 -0.622 18087 5577 1 12 . 1 1 5 5 GLU CA C 5 60.051 60.051 59.945 0.106 18087 5578 1 12 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.485 0.498 18087 5579 1 12 . 1 1 5 5 GLU H H 5 7.968 7.968 8.760 -0.792 18087 5580 1 12 . 1 1 6 6 THR N N 6 114.278 114.278 117.164 -2.886 18087 5581 1 12 . 1 1 6 6 THR HA H 6 4.015 4.015 4.047 -0.032 18087 5582 1 12 . 1 1 6 6 THR C C 6 176.990 176.990 176.941 0.049 18087 5583 1 12 . 1 1 6 6 THR CA C 6 66.450 66.450 66.986 -0.536 18087 5584 1 12 . 1 1 6 6 THR CB C 6 68.637 68.637 68.407 0.230 18087 5585 1 12 . 1 1 6 6 THR H H 6 8.177 8.177 7.541 0.636 18087 5586 1 12 . 1 1 7 7 ALA N N 7 126.659 126.659 126.393 0.266 18087 5587 1 12 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.101 0.062 18087 5588 1 12 . 1 1 7 7 ALA C C 7 179.338 179.338 179.481 -0.143 18087 5589 1 12 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.175 0.640 18087 5590 1 12 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.261 -0.077 18087 5591 1 12 . 1 1 7 7 ALA H H 7 8.166 8.166 8.962 -0.796 18087 5592 1 12 . 1 1 8 8 MET N N 8 117.727 117.727 117.272 0.455 18087 5593 1 12 . 1 1 8 8 MET HA H 8 3.731 3.731 4.279 -0.548 18087 5594 1 12 . 1 1 8 8 MET C C 8 178.071 178.071 179.039 -0.968 18087 5595 1 12 . 1 1 8 8 MET CA C 8 60.447 60.447 57.100 3.347 18087 5596 1 12 . 1 1 8 8 MET CB C 8 34.928 34.928 31.383 3.545 18087 5597 1 12 . 1 1 8 8 MET H H 8 8.090 8.090 8.469 -0.379 18087 5598 1 12 . 1 1 9 9 GLU N N 9 117.303 117.303 120.591 -3.288 18087 5599 1 12 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.985 -0.078 18087 5600 1 12 . 1 1 9 9 GLU C C 9 179.261 179.261 179.144 0.117 18087 5601 1 12 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.707 0.323 18087 5602 1 12 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.463 0.036 18087 5603 1 12 . 1 1 9 9 GLU H H 9 8.603 8.603 8.903 -0.300 18087 5604 1 12 . 1 1 10 10 THR N N 10 117.583 117.583 117.893 -0.310 18087 5605 1 12 . 1 1 10 10 THR HA H 10 4.088 4.088 4.040 0.048 18087 5606 1 12 . 1 1 10 10 THR C C 10 175.758 175.758 176.890 -1.132 18087 5607 1 12 . 1 1 10 10 THR CA C 10 67.439 67.439 67.045 0.394 18087 5608 1 12 . 1 1 10 10 THR CB C 10 68.014 68.014 68.710 -0.696 18087 5609 1 12 . 1 1 10 10 THR H H 10 8.483 8.483 8.671 -0.188 18087 5610 1 12 . 1 1 11 11 LEU N N 11 119.623 119.623 122.318 -2.695 18087 5611 1 12 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.312 -0.342 18087 5612 1 12 . 1 1 11 11 LEU C C 11 178.935 178.935 179.344 -0.409 18087 5613 1 12 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.537 0.638 18087 5614 1 12 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.806 0.056 18087 5615 1 12 . 1 1 11 11 LEU H H 11 8.013 8.013 8.131 -0.118 18087 5616 1 12 . 1 1 12 12 ILE N N 12 119.751 119.751 120.333 -0.582 18087 5617 1 12 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.355 0.638 18087 5618 1 12 . 1 1 12 12 ILE C C 12 177.717 177.717 178.211 -0.494 18087 5619 1 12 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.262 1.486 18087 5620 1 12 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.315 2.951 18087 5621 1 12 . 1 1 12 12 ILE H H 12 7.708 7.708 8.710 -1.002 18087 5622 1 12 . 1 1 13 13 ASN N N 13 121.260 121.260 119.322 1.938 18087 5623 1 12 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.522 0.045 18087 5624 1 12 . 1 1 13 13 ASN C C 13 178.941 178.941 178.260 0.681 18087 5625 1 12 . 1 1 13 13 ASN CA C 13 56.339 56.339 57.372 -1.033 18087 5626 1 12 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.599 -0.505 18087 5627 1 12 . 1 1 13 13 ASN H H 13 9.125 9.125 8.667 0.458 18087 5628 1 12 . 1 1 14 14 VAL N N 14 120.868 120.868 120.695 0.173 18087 5629 1 12 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.698 0.169 18087 5630 1 12 . 1 1 14 14 VAL C C 14 177.827 177.827 177.941 -0.114 18087 5631 1 12 . 1 1 14 14 VAL CA C 14 66.715 66.715 67.057 -0.342 18087 5632 1 12 . 1 1 14 14 VAL CB C 14 31.902 31.902 32.059 -0.157 18087 5633 1 12 . 1 1 14 14 VAL H H 14 8.965 8.965 8.117 0.848 18087 5634 1 12 . 1 1 15 15 PHE N N 15 117.672 117.672 120.880 -3.208 18087 5635 1 12 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.910 -0.464 18087 5636 1 12 . 1 1 15 15 PHE C C 15 177.713 177.713 177.458 0.255 18087 5637 1 12 . 1 1 15 15 PHE CA C 15 62.441 62.441 61.957 0.484 18087 5638 1 12 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.369 -0.188 18087 5639 1 12 . 1 1 15 15 PHE H H 15 6.968 6.968 8.902 -1.934 18087 5640 1 12 . 1 1 16 16 HIS N N 16 115.122 115.122 120.409 -5.287 18087 5641 1 12 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.326 0.043 18087 5642 1 12 . 1 1 16 16 HIS C C 16 176.987 176.987 177.402 -0.415 18087 5643 1 12 . 1 1 16 16 HIS CA C 16 58.413 58.413 58.401 0.012 18087 5644 1 12 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.585 -1.325 18087 5645 1 12 . 1 1 16 16 HIS H H 16 8.020 8.020 9.391 -1.371 18087 5646 1 12 . 1 1 17 17 ALA N N 17 122.533 122.533 121.284 1.249 18087 5647 1 12 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.799 0.318 18087 5648 1 12 . 1 1 17 17 ALA CA C 17 54.064 54.064 55.029 -0.965 18087 5649 1 12 . 1 1 17 17 ALA CB C 17 17.908 17.908 17.905 0.003 18087 5650 1 12 . 1 1 17 17 ALA H H 17 8.282 8.282 8.527 -0.245 18087 5651 1 12 . 1 1 18 18 HIS N N 18 113.127 113.127 116.718 -3.591 18087 5652 1 12 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.247 0.161 18087 5653 1 12 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.415 -2.167 18087 5654 1 12 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.505 1.757 18087 5655 1 12 . 1 1 18 18 HIS H H 18 7.124 7.124 7.781 -0.657 18087 5656 1 12 . 1 1 19 19 SER HA H 19 3.963 3.963 4.417 -0.454 18087 5657 1 12 . 1 1 19 19 SER CA C 19 59.969 59.969 61.619 -1.650 18087 5658 1 12 . 1 1 19 19 SER CB C 19 62.416 62.416 62.943 -0.527 18087 5659 1 12 . 1 1 20 20 GLY N N 20 107.243 107.243 108.874 -1.631 18087 5660 1 12 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.397 -0.283 18087 5661 1 12 . 1 1 20 20 GLY H H 20 7.915 7.915 8.281 -0.366 18087 5662 1 12 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.123 -0.166 18087 5663 1 12 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.305 -0.260 18087 5664 1 12 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.291 -0.354 18087 5665 1 12 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.460 -0.418 18087 5666 1 12 . 1 1 22 22 GLU CA C 22 58.755 58.755 56.452 2.303 18087 5667 1 12 . 1 1 22 22 GLU CB C 22 30.184 30.184 32.673 -2.489 18087 5668 1 12 . 1 1 23 23 GLY N N 23 111.113 111.113 110.688 0.425 18087 5669 1 12 . 1 1 23 23 GLY CA C 23 46.790 46.790 45.603 1.187 18087 5670 1 12 . 1 1 23 23 GLY H H 23 8.435 8.435 7.664 0.771 18087 5671 1 12 . 1 1 24 24 ASP N N 24 123.994 123.994 124.304 -0.310 18087 5672 1 12 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.164 0.332 18087 5673 1 12 . 1 1 24 24 ASP CA C 24 54.286 54.286 56.521 -2.235 18087 5674 1 12 . 1 1 24 24 ASP CB C 24 42.002 42.002 41.603 0.399 18087 5675 1 12 . 1 1 24 24 ASP H H 24 8.501 8.501 8.370 0.131 18087 5676 1 12 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.306 0.136 18087 5677 1 12 . 1 1 25 25 LYS CA C 25 56.523 56.523 57.427 -0.904 18087 5678 1 12 . 1 1 25 25 LYS CB C 25 33.271 33.271 33.096 0.175 18087 5679 1 12 . 1 1 26 26 TYR N N 26 119.967 119.967 118.662 1.305 18087 5680 1 12 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.882 -0.090 18087 5681 1 12 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.593 0.426 18087 5682 1 12 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.653 -0.222 18087 5683 1 12 . 1 1 26 26 TYR H H 26 8.712 8.712 7.427 1.285 18087 5684 1 12 . 1 1 27 27 LYS HA H 27 5.299 5.299 5.066 0.233 18087 5685 1 12 . 1 1 27 27 LYS C C 27 174.308 174.308 173.848 0.460 18087 5686 1 12 . 1 1 27 27 LYS CA C 27 54.365 54.365 55.075 -0.710 18087 5687 1 12 . 1 1 27 27 LYS CB C 27 37.394 37.394 38.078 -0.684 18087 5688 1 12 . 1 1 28 28 LEU N N 28 121.194 121.194 122.718 -1.524 18087 5689 1 12 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.488 0.232 18087 5690 1 12 . 1 1 28 28 LEU C C 28 178.895 178.895 174.606 4.289 18087 5691 1 12 . 1 1 28 28 LEU CA C 28 52.968 52.968 53.113 -0.145 18087 5692 1 12 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.409 0.802 18087 5693 1 12 . 1 1 28 28 LEU H H 28 8.632 8.632 9.431 -0.799 18087 5694 1 12 . 1 1 29 29 SER N N 29 119.705 119.705 122.132 -2.427 18087 5695 1 12 . 1 1 29 29 SER HA H 29 4.987 4.987 4.595 0.392 18087 5696 1 12 . 1 1 29 29 SER C C 29 175.742 175.742 175.234 0.508 18087 5697 1 12 . 1 1 29 29 SER CA C 29 57.873 57.873 58.560 -0.687 18087 5698 1 12 . 1 1 29 29 SER CB C 29 64.531 64.531 64.285 0.246 18087 5699 1 12 . 1 1 29 29 SER H H 29 8.901 8.901 8.798 0.103 18087 5700 1 12 . 1 1 30 30 LYS N N 30 124.208 124.208 123.419 0.789 18087 5701 1 12 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.107 -0.293 18087 5702 1 12 . 1 1 30 30 LYS C C 30 178.469 178.469 178.394 0.075 18087 5703 1 12 . 1 1 30 30 LYS CA C 30 61.433 61.433 58.631 2.802 18087 5704 1 12 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.836 0.433 18087 5705 1 12 . 1 1 30 30 LYS H H 30 8.836 8.836 8.509 0.327 18087 5706 1 12 . 1 1 31 31 LYS N N 31 119.570 119.570 121.520 -1.950 18087 5707 1 12 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.183 -0.137 18087 5708 1 12 . 1 1 31 31 LYS C C 31 179.409 179.409 178.634 0.775 18087 5709 1 12 . 1 1 31 31 LYS CA C 31 59.223 59.223 60.142 -0.919 18087 5710 1 12 . 1 1 31 31 LYS CB C 31 32.386 32.386 31.600 0.786 18087 5711 1 12 . 1 1 31 31 LYS H H 31 8.597 8.597 8.274 0.323 18087 5712 1 12 . 1 1 32 32 GLU N N 32 119.551 119.551 120.154 -0.603 18087 5713 1 12 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.111 -0.065 18087 5714 1 12 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.838 0.160 18087 5715 1 12 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.177 -0.708 18087 5716 1 12 . 1 1 32 32 GLU H H 32 7.442 7.442 8.132 -0.690 18087 5717 1 12 . 1 1 33 33 LEU N N 33 121.725 121.725 120.247 1.478 18087 5718 1 12 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.937 0.131 18087 5719 1 12 . 1 1 33 33 LEU C C 33 177.279 177.279 178.405 -1.126 18087 5720 1 12 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.328 -0.932 18087 5721 1 12 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.603 -1.018 18087 5722 1 12 . 1 1 33 33 LEU H H 33 8.579 8.579 8.752 -0.173 18087 5723 1 12 . 1 1 34 34 LYS N N 34 120.543 120.543 118.298 2.245 18087 5724 1 12 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.976 -0.340 18087 5725 1 12 . 1 1 34 34 LYS C C 34 177.868 177.868 179.217 -1.349 18087 5726 1 12 . 1 1 34 34 LYS CA C 34 60.704 60.704 59.999 0.705 18087 5727 1 12 . 1 1 34 34 LYS CB C 34 31.870 31.870 32.260 -0.390 18087 5728 1 12 . 1 1 34 34 LYS H H 34 8.618 8.618 7.599 1.019 18087 5729 1 12 . 1 1 35 35 GLU N N 35 117.340 117.340 119.217 -1.877 18087 5730 1 12 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.138 -0.131 18087 5731 1 12 . 1 1 35 35 GLU C C 35 179.008 179.008 179.192 -0.184 18087 5732 1 12 . 1 1 35 35 GLU CA C 35 59.366 59.366 58.722 0.644 18087 5733 1 12 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.486 -0.291 18087 5734 1 12 . 1 1 35 35 GLU H H 35 7.713 7.713 7.500 0.213 18087 5735 1 12 . 1 1 36 36 LEU N N 36 122.745 122.745 122.483 0.262 18087 5736 1 12 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.122 -0.109 18087 5737 1 12 . 1 1 36 36 LEU C C 36 178.646 178.646 178.436 0.210 18087 5738 1 12 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.455 -0.079 18087 5739 1 12 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.156 0.732 18087 5740 1 12 . 1 1 36 36 LEU H H 36 8.150 8.150 8.770 -0.620 18087 5741 1 12 . 1 1 37 37 LEU N N 37 118.881 118.881 120.286 -1.405 18087 5742 1 12 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.116 -0.368 18087 5743 1 12 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.612 -0.251 18087 5744 1 12 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.221 0.192 18087 5745 1 12 . 1 1 37 37 LEU H H 37 8.495 8.495 8.602 -0.107 18087 5746 1 12 . 1 1 38 38 GLN N N 38 115.311 115.311 117.448 -2.137 18087 5747 1 12 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.074 -0.285 18087 5748 1 12 . 1 1 38 38 GLN C C 38 177.826 177.826 178.070 -0.244 18087 5749 1 12 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.919 -0.059 18087 5750 1 12 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.046 0.275 18087 5751 1 12 . 1 1 38 38 GLN H H 38 8.348 8.348 8.053 0.295 18087 5752 1 12 . 1 1 39 39 THR N N 39 112.151 112.151 118.139 -5.988 18087 5753 1 12 . 1 1 39 39 THR HA H 39 4.186 4.186 4.123 0.063 18087 5754 1 12 . 1 1 39 39 THR C C 39 177.166 177.166 177.471 -0.305 18087 5755 1 12 . 1 1 39 39 THR CA C 39 65.284 65.284 66.346 -1.062 18087 5756 1 12 . 1 1 39 39 THR CB C 39 69.179 69.179 68.395 0.784 18087 5757 1 12 . 1 1 39 39 THR H H 39 7.872 7.872 8.447 -0.575 18087 5758 1 12 . 1 1 40 40 GLU N N 40 119.602 119.602 121.000 -1.398 18087 5759 1 12 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.290 0.076 18087 5760 1 12 . 1 1 40 40 GLU C C 40 178.228 178.228 178.274 -0.046 18087 5761 1 12 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.589 0.035 18087 5762 1 12 . 1 1 40 40 GLU CB C 40 30.934 30.934 30.027 0.907 18087 5763 1 12 . 1 1 40 40 GLU H H 40 8.713 8.713 8.910 -0.197 18087 5764 1 12 . 1 1 41 41 LEU N N 41 118.018 118.018 120.553 -2.535 18087 5765 1 12 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.741 0.391 18087 5766 1 12 . 1 1 41 41 LEU C C 41 176.993 176.993 176.925 0.068 18087 5767 1 12 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.558 -0.739 18087 5768 1 12 . 1 1 41 41 LEU CB C 41 41.962 41.962 41.507 0.456 18087 5769 1 12 . 1 1 41 41 LEU H H 41 8.243 8.243 8.459 -0.216 18087 5770 1 12 . 1 1 42 42 SER N N 42 114.483 114.483 117.468 -2.985 18087 5771 1 12 . 1 1 42 42 SER HA H 42 3.950 3.950 4.201 -0.251 18087 5772 1 12 . 1 1 42 42 SER C C 42 176.651 176.651 176.869 -0.218 18087 5773 1 12 . 1 1 42 42 SER CA C 42 62.225 62.225 62.569 -0.344 18087 5774 1 12 . 1 1 42 42 SER CB C 42 62.675 62.675 62.861 -0.186 18087 5775 1 12 . 1 1 42 42 SER H H 42 7.019 7.019 7.588 -0.569 18087 5776 1 12 . 1 1 43 43 GLY N N 43 109.381 109.381 109.319 0.062 18087 5777 1 12 . 1 1 43 43 GLY C C 43 176.476 176.476 176.033 0.443 18087 5778 1 12 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.887 0.132 18087 5779 1 12 . 1 1 43 43 GLY H H 43 8.666 8.666 8.650 0.016 18087 5780 1 12 . 1 1 44 44 PHE N N 44 124.390 124.390 120.609 3.781 18087 5781 1 12 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.359 -0.032 18087 5782 1 12 . 1 1 44 44 PHE C C 44 176.516 176.516 177.305 -0.789 18087 5783 1 12 . 1 1 44 44 PHE CA C 44 60.094 60.094 60.191 -0.097 18087 5784 1 12 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.599 0.625 18087 5785 1 12 . 1 1 44 44 PHE H H 44 8.226 8.226 7.426 0.800 18087 5786 1 12 . 1 1 45 45 LEU N N 45 117.156 117.156 120.691 -3.535 18087 5787 1 12 . 1 1 45 45 LEU HA H 45 3.418 3.418 4.026 -0.608 18087 5788 1 12 . 1 1 45 45 LEU C C 45 179.673 179.673 177.961 1.712 18087 5789 1 12 . 1 1 45 45 LEU CA C 45 57.522 57.522 58.066 -0.544 18087 5790 1 12 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.637 -1.023 18087 5791 1 12 . 1 1 45 45 LEU H H 45 8.627 8.627 8.874 -0.247 18087 5792 1 12 . 1 1 46 46 ASP N N 46 117.663 117.663 117.622 0.041 18087 5793 1 12 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.429 -0.084 18087 5794 1 12 . 1 1 46 46 ASP C C 46 177.844 177.844 178.950 -1.106 18087 5795 1 12 . 1 1 46 46 ASP CA C 46 56.784 56.784 56.836 -0.052 18087 5796 1 12 . 1 1 46 46 ASP CB C 46 41.130 41.130 41.283 -0.153 18087 5797 1 12 . 1 1 46 46 ASP H H 46 7.933 7.933 8.556 -0.623 18087 5798 1 12 . 1 1 47 47 ALA N N 47 119.795 119.795 122.064 -2.269 18087 5799 1 12 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.100 0.103 18087 5800 1 12 . 1 1 47 47 ALA C C 47 179.300 179.300 178.528 0.772 18087 5801 1 12 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.557 -1.195 18087 5802 1 12 . 1 1 47 47 ALA CB C 47 19.011 19.011 19.048 -0.037 18087 5803 1 12 . 1 1 47 47 ALA H H 47 7.380 7.380 7.723 -0.343 18087 5804 1 12 . 1 1 48 48 GLN N N 48 115.955 115.955 114.075 1.880 18087 5805 1 12 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.570 -0.300 18087 5806 1 12 . 1 1 48 48 GLN C C 48 175.355 175.355 175.792 -0.437 18087 5807 1 12 . 1 1 48 48 GLN CA C 48 54.026 54.026 54.257 -0.231 18087 5808 1 12 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.720 0.840 18087 5809 1 12 . 1 1 48 48 GLN H H 48 7.369 7.369 7.751 -0.382 18087 5810 1 12 . 1 1 49 49 LYS N N 49 119.402 119.402 121.714 -2.312 18087 5811 1 12 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.088 -0.072 18087 5812 1 12 . 1 1 49 49 LYS C C 49 176.255 176.255 176.676 -0.421 18087 5813 1 12 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.208 -1.024 18087 5814 1 12 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.422 -0.319 18087 5815 1 12 . 1 1 49 49 LYS H H 49 7.152 7.152 7.444 -0.292 18087 5816 1 12 . 1 1 50 50 ASP N N 50 117.172 117.172 116.686 0.486 18087 5817 1 12 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.762 -0.167 18087 5818 1 12 . 1 1 50 50 ASP C C 50 175.916 175.916 175.264 0.652 18087 5819 1 12 . 1 1 50 50 ASP CA C 50 54.217 54.217 54.098 0.119 18087 5820 1 12 . 1 1 50 50 ASP CB C 50 40.309 40.309 41.230 -0.921 18087 5821 1 12 . 1 1 50 50 ASP H H 50 8.338 8.338 8.516 -0.178 18087 5822 1 12 . 1 1 51 51 VAL N N 51 121.648 121.648 120.802 0.846 18087 5823 1 12 . 1 1 51 51 VAL HA H 51 3.997 3.997 3.979 0.018 18087 5824 1 12 . 1 1 51 51 VAL C C 51 177.128 177.128 176.570 0.558 18087 5825 1 12 . 1 1 51 51 VAL CA C 51 62.404 62.404 62.695 -0.291 18087 5826 1 12 . 1 1 51 51 VAL CB C 51 31.921 31.921 32.553 -0.632 18087 5827 1 12 . 1 1 51 51 VAL H H 51 7.604 7.604 6.978 0.626 18087 5828 1 12 . 1 1 52 52 ASP N N 52 129.202 129.202 129.824 -0.622 18087 5829 1 12 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.183 0.090 18087 5830 1 12 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.580 0.603 18087 5831 1 12 . 1 1 52 52 ASP CB C 52 40.935 40.935 40.950 -0.015 18087 5832 1 12 . 1 1 52 52 ASP H H 52 8.702 8.702 9.045 -0.343 18087 5833 1 12 . 1 1 53 53 ALA N N 53 118.401 118.401 122.298 -3.897 18087 5834 1 12 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.115 -0.103 18087 5835 1 12 . 1 1 53 53 ALA C C 53 179.448 179.448 179.685 -0.237 18087 5836 1 12 . 1 1 53 53 ALA CA C 53 55.053 55.053 54.687 0.367 18087 5837 1 12 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.054 1.310 18087 5838 1 12 . 1 1 53 53 ALA H H 53 8.478 8.478 8.258 0.220 18087 5839 1 12 . 1 1 54 54 VAL N N 54 115.050 115.050 118.284 -3.234 18087 5840 1 12 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.667 -0.125 18087 5841 1 12 . 1 1 54 54 VAL C C 54 177.000 177.000 177.226 -0.226 18087 5842 1 12 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.397 -1.177 18087 5843 1 12 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.242 0.817 18087 5844 1 12 . 1 1 54 54 VAL H H 54 6.988 6.988 8.514 -1.526 18087 5845 1 12 . 1 1 55 55 ASP N N 55 120.834 120.834 119.569 1.265 18087 5846 1 12 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.355 -0.077 18087 5847 1 12 . 1 1 55 55 ASP C C 55 178.307 178.307 178.609 -0.302 18087 5848 1 12 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.569 0.054 18087 5849 1 12 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.685 1.092 18087 5850 1 12 . 1 1 55 55 ASP H H 55 8.157 8.157 7.865 0.292 18087 5851 1 12 . 1 1 56 56 LYS N N 56 115.672 115.672 119.563 -3.891 18087 5852 1 12 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.070 -0.182 18087 5853 1 12 . 1 1 56 56 LYS C C 56 179.372 179.372 178.905 0.467 18087 5854 1 12 . 1 1 56 56 LYS CA C 56 59.608 59.608 58.585 1.023 18087 5855 1 12 . 1 1 56 56 LYS CB C 56 32.378 32.378 31.907 0.471 18087 5856 1 12 . 1 1 56 56 LYS H H 56 8.348 8.348 7.830 0.518 18087 5857 1 12 . 1 1 57 57 VAL N N 57 118.238 118.238 121.645 -3.407 18087 5858 1 12 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.673 0.056 18087 5859 1 12 . 1 1 57 57 VAL C C 57 177.541 177.541 178.339 -0.798 18087 5860 1 12 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.366 -0.664 18087 5861 1 12 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.058 0.860 18087 5862 1 12 . 1 1 57 57 VAL H H 57 7.003 7.003 8.646 -1.643 18087 5863 1 12 . 1 1 58 58 MET N N 58 115.998 115.998 118.346 -2.348 18087 5864 1 12 . 1 1 58 58 MET HA H 58 4.313 4.313 4.075 0.238 18087 5865 1 12 . 1 1 58 58 MET C C 58 179.857 179.857 178.630 1.227 18087 5866 1 12 . 1 1 58 58 MET CA C 58 56.717 56.717 58.342 -1.625 18087 5867 1 12 . 1 1 58 58 MET CB C 58 32.366 32.366 31.236 1.130 18087 5868 1 12 . 1 1 58 58 MET H H 58 7.836 7.836 8.585 -0.749 18087 5869 1 12 . 1 1 59 59 LYS N N 59 119.682 119.682 120.956 -1.274 18087 5870 1 12 . 1 1 59 59 LYS HA H 59 4.088 4.088 3.978 0.110 18087 5871 1 12 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.285 0.157 18087 5872 1 12 . 1 1 59 59 LYS CB C 59 32.504 32.504 31.809 0.695 18087 5873 1 12 . 1 1 59 59 LYS H H 59 8.619 8.619 8.719 -0.100 18087 5874 1 12 . 1 1 60 60 GLU N N 60 119.917 119.917 119.276 0.641 18087 5875 1 12 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.062 -0.126 18087 5876 1 12 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.280 -0.040 18087 5877 1 12 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.346 0.743 18087 5878 1 12 . 1 1 60 60 GLU H H 60 7.721 7.721 8.533 -0.812 18087 5879 1 12 . 1 1 61 61 LEU N N 61 116.614 116.614 119.763 -3.149 18087 5880 1 12 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.151 -0.128 18087 5881 1 12 . 1 1 61 61 LEU C C 61 175.845 175.845 179.172 -3.327 18087 5882 1 12 . 1 1 61 61 LEU CA C 61 56.515 56.515 57.776 -1.260 18087 5883 1 12 . 1 1 61 61 LEU CB C 61 41.218 41.218 40.980 0.238 18087 5884 1 12 . 1 1 61 61 LEU H H 61 7.429 7.429 8.254 -0.825 18087 5885 1 12 . 1 1 62 62 ASP N N 62 116.147 116.147 120.093 -3.946 18087 5886 1 12 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.366 0.157 18087 5887 1 12 . 1 1 62 62 ASP C C 62 177.790 177.790 178.703 -0.913 18087 5888 1 12 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.274 -1.848 18087 5889 1 12 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.965 0.915 18087 5890 1 12 . 1 1 62 62 ASP H H 62 7.423 7.423 8.666 -1.243 18087 5891 1 12 . 1 1 63 63 GLU N N 63 119.660 119.660 118.515 1.145 18087 5892 1 12 . 1 1 63 63 GLU HA H 63 4.136 4.136 3.988 0.148 18087 5893 1 12 . 1 1 63 63 GLU CA C 63 57.377 57.377 59.110 -1.733 18087 5894 1 12 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.731 0.258 18087 5895 1 12 . 1 1 63 63 GLU H H 63 7.837 7.837 8.158 -0.321 18087 5896 1 12 . 1 1 64 64 ASN N N 64 118.376 118.376 117.886 0.490 18087 5897 1 12 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.563 0.299 18087 5898 1 12 . 1 1 64 64 ASN C C 64 176.216 176.216 177.383 -1.167 18087 5899 1 12 . 1 1 64 64 ASN CA C 64 52.688 52.688 54.931 -2.243 18087 5900 1 12 . 1 1 64 64 ASN CB C 64 38.185 38.185 39.053 -0.868 18087 5901 1 12 . 1 1 64 64 ASN H H 64 8.012 8.012 7.543 0.469 18087 5902 1 12 . 1 1 65 65 GLY N N 65 107.248 107.248 108.027 -0.779 18087 5903 1 12 . 1 1 65 65 GLY C C 65 173.971 173.971 173.815 0.156 18087 5904 1 12 . 1 1 65 65 GLY CA C 65 47.136 47.136 44.694 2.442 18087 5905 1 12 . 1 1 65 65 GLY H H 65 7.989 7.989 8.854 -0.865 18087 5906 1 12 . 1 1 66 66 ASP N N 66 116.989 116.989 122.118 -5.129 18087 5907 1 12 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.453 0.335 18087 5908 1 12 . 1 1 66 66 ASP C C 66 177.289 177.289 176.838 0.451 18087 5909 1 12 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.868 -2.702 18087 5910 1 12 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.334 -0.347 18087 5911 1 12 . 1 1 66 66 ASP H H 66 8.233 8.233 8.468 -0.235 18087 5912 1 12 . 1 1 67 67 GLY N N 67 108.642 108.642 106.832 1.810 18087 5913 1 12 . 1 1 67 67 GLY C C 67 172.757 172.757 173.059 -0.302 18087 5914 1 12 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.268 -0.052 18087 5915 1 12 . 1 1 67 67 GLY H H 67 8.274 8.274 8.020 0.254 18087 5916 1 12 . 1 1 68 68 GLU N N 68 118.614 118.614 119.404 -0.790 18087 5917 1 12 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.977 -0.022 18087 5918 1 12 . 1 1 68 68 GLU C C 68 175.881 175.881 174.968 0.913 18087 5919 1 12 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.306 0.060 18087 5920 1 12 . 1 1 68 68 GLU CB C 68 33.488 33.488 32.888 0.600 18087 5921 1 12 . 1 1 68 68 GLU H H 68 8.404 8.404 7.844 0.560 18087 5922 1 12 . 1 1 69 69 VAL N N 69 117.572 117.572 122.178 -4.606 18087 5923 1 12 . 1 1 69 69 VAL HA H 69 4.765 4.765 5.270 -0.505 18087 5924 1 12 . 1 1 69 69 VAL C C 69 174.820 174.820 173.908 0.912 18087 5925 1 12 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.386 0.565 18087 5926 1 12 . 1 1 69 69 VAL CB C 69 34.352 34.352 35.331 -0.979 18087 5927 1 12 . 1 1 69 69 VAL H H 69 9.167 9.167 9.228 -0.061 18087 5928 1 12 . 1 1 70 70 ASP N N 70 122.616 122.616 129.343 -6.727 18087 5929 1 12 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.195 0.019 18087 5930 1 12 . 1 1 70 70 ASP C C 70 175.822 175.822 176.268 -0.446 18087 5931 1 12 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.282 -0.906 18087 5932 1 12 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.836 -1.644 18087 5933 1 12 . 1 1 70 70 ASP H H 70 8.292 8.292 9.837 -1.545 18087 5934 1 12 . 1 1 71 71 PHE N N 71 119.243 119.243 119.974 -0.731 18087 5935 1 12 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.212 -0.461 18087 5936 1 12 . 1 1 71 71 PHE C C 71 176.387 176.387 176.892 -0.505 18087 5937 1 12 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.780 1.185 18087 5938 1 12 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.015 0.126 18087 5939 1 12 . 1 1 71 71 PHE H H 71 8.889 8.889 8.723 0.166 18087 5940 1 12 . 1 1 72 72 GLN N N 72 116.655 116.655 116.805 -0.150 18087 5941 1 12 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.742 -0.034 18087 5942 1 12 . 1 1 72 72 GLN C C 72 177.102 177.102 178.499 -1.397 18087 5943 1 12 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.170 0.105 18087 5944 1 12 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.403 -0.236 18087 5945 1 12 . 1 1 72 72 GLN H H 72 8.021 8.021 9.207 -1.186 18087 5946 1 12 . 1 1 73 73 GLU N N 73 119.195 119.195 120.286 -1.091 18087 5947 1 12 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.024 0.469 18087 5948 1 12 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.286 -4.107 18087 5949 1 12 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.776 2.038 18087 5950 1 12 . 1 1 73 73 GLU H H 73 8.066 8.066 7.708 0.358 18087 5951 1 12 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.156 -0.070 18087 5952 1 12 . 1 1 74 74 TYR CA C 74 60.497 60.497 61.330 -0.833 18087 5953 1 12 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.710 -0.884 18087 5954 1 12 . 1 1 75 75 VAL N N 75 120.072 120.072 116.434 3.638 18087 5955 1 12 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.172 -0.189 18087 5956 1 12 . 1 1 75 75 VAL C C 75 177.295 177.295 177.494 -0.199 18087 5957 1 12 . 1 1 75 75 VAL CA C 75 65.692 65.692 66.417 -0.725 18087 5958 1 12 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.738 -0.120 18087 5959 1 12 . 1 1 75 75 VAL H H 75 8.291 8.291 8.287 0.004 18087 5960 1 12 . 1 1 76 76 VAL N N 76 121.367 121.367 120.178 1.189 18087 5961 1 12 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.636 -0.116 18087 5962 1 12 . 1 1 76 76 VAL C C 76 178.847 178.847 177.412 1.435 18087 5963 1 12 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.582 0.971 18087 5964 1 12 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.104 0.284 18087 5965 1 12 . 1 1 76 76 VAL H H 76 7.571 7.571 7.273 0.298 18087 5966 1 12 . 1 1 77 77 LEU N N 77 123.054 123.054 121.691 1.363 18087 5967 1 12 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.983 0.146 18087 5968 1 12 . 1 1 77 77 LEU C C 77 179.065 179.065 178.180 0.885 18087 5969 1 12 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.178 0.314 18087 5970 1 12 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.590 -0.294 18087 5971 1 12 . 1 1 77 77 LEU H H 77 7.360 7.360 7.872 -0.512 18087 5972 1 12 . 1 1 78 78 VAL N N 78 119.163 119.163 116.010 3.153 18087 5973 1 12 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.562 -0.289 18087 5974 1 12 . 1 1 78 78 VAL C C 78 180.217 180.217 177.910 2.307 18087 5975 1 12 . 1 1 78 78 VAL CA C 78 67.270 67.270 66.174 1.096 18087 5976 1 12 . 1 1 78 78 VAL CB C 78 31.181 31.181 30.738 0.443 18087 5977 1 12 . 1 1 78 78 VAL H H 78 8.192 8.192 8.096 0.096 18087 5978 1 12 . 1 1 79 79 ALA N N 79 125.884 125.884 123.320 2.564 18087 5979 1 12 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.849 -0.052 18087 5980 1 12 . 1 1 79 79 ALA C C 79 178.708 178.708 178.956 -0.248 18087 5981 1 12 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.246 0.645 18087 5982 1 12 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.864 -0.501 18087 5983 1 12 . 1 1 79 79 ALA H H 79 9.067 9.067 8.602 0.465 18087 5984 1 12 . 1 1 80 80 ALA N N 80 121.108 121.108 122.043 -0.935 18087 5985 1 12 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.939 0.185 18087 5986 1 12 . 1 1 80 80 ALA C C 80 182.175 182.175 179.577 2.598 18087 5987 1 12 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.213 0.210 18087 5988 1 12 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.049 -0.380 18087 5989 1 12 . 1 1 80 80 ALA H H 80 7.776 7.776 8.726 -0.950 18087 5990 1 12 . 1 1 81 81 LEU N N 81 118.519 118.519 118.236 0.283 18087 5991 1 12 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.837 0.281 18087 5992 1 12 . 1 1 81 81 LEU C C 81 177.959 177.959 179.063 -1.104 18087 5993 1 12 . 1 1 81 81 LEU CA C 81 57.489 57.489 58.064 -0.575 18087 5994 1 12 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.370 0.799 18087 5995 1 12 . 1 1 81 81 LEU H H 81 8.097 8.097 7.964 0.133 18087 5996 1 12 . 1 1 82 82 THR N N 82 119.572 119.572 115.952 3.620 18087 5997 1 12 . 1 1 82 82 THR HA H 82 3.777 3.777 2.931 0.846 18087 5998 1 12 . 1 1 82 82 THR C C 82 176.911 176.911 176.596 0.315 18087 5999 1 12 . 1 1 82 82 THR CA C 82 68.058 68.058 66.132 1.926 18087 6000 1 12 . 1 1 82 82 THR CB C 82 67.402 67.402 67.737 -0.335 18087 6001 1 12 . 1 1 82 82 THR H H 82 8.537 8.537 8.320 0.217 18087 6002 1 12 . 1 1 83 83 VAL N N 83 123.805 123.805 122.063 1.742 18087 6003 1 12 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.847 -0.117 18087 6004 1 12 . 1 1 83 83 VAL C C 83 177.787 177.787 177.149 0.638 18087 6005 1 12 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.684 1.710 18087 6006 1 12 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.329 0.362 18087 6007 1 12 . 1 1 83 83 VAL H H 83 8.283 8.283 8.649 -0.366 18087 6008 1 12 . 1 1 84 84 ALA N N 84 121.134 121.134 122.837 -1.703 18087 6009 1 12 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.966 0.270 18087 6010 1 12 . 1 1 84 84 ALA C C 84 180.511 180.511 179.680 0.831 18087 6011 1 12 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.432 -0.258 18087 6012 1 12 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.250 -0.823 18087 6013 1 12 . 1 1 84 84 ALA H H 84 7.466 7.466 8.499 -1.033 18087 6014 1 12 . 1 1 85 85 MET N N 85 121.755 121.755 117.282 4.473 18087 6015 1 12 . 1 1 85 85 MET HA H 85 3.796 3.796 4.218 -0.422 18087 6016 1 12 . 1 1 85 85 MET CA C 85 59.656 59.656 58.064 1.592 18087 6017 1 12 . 1 1 85 85 MET CB C 85 33.653 33.653 32.556 1.097 18087 6018 1 12 . 1 1 85 85 MET H H 85 8.549 8.549 8.646 -0.097 18087 6019 1 12 . 1 1 86 86 ASN N N 86 119.410 119.410 119.231 0.179 18087 6020 1 12 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.829 -0.677 18087 6021 1 12 . 1 1 86 86 ASN C C 86 176.834 176.834 177.468 -0.634 18087 6022 1 12 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.314 1.748 18087 6023 1 12 . 1 1 86 86 ASN CB C 86 39.930 39.930 37.928 2.002 18087 6024 1 12 . 1 1 86 86 ASN H H 86 8.615 8.615 9.019 -0.404 18087 6025 1 12 . 1 1 87 87 ASN N N 87 117.077 117.077 119.612 -2.535 18087 6026 1 12 . 1 1 87 87 ASN HA H 87 4.446 4.446 4.594 -0.148 18087 6027 1 12 . 1 1 87 87 ASN C C 87 176.906 176.906 177.335 -0.429 18087 6028 1 12 . 1 1 87 87 ASN CA C 87 55.602 55.602 56.472 -0.870 18087 6029 1 12 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.687 -1.111 18087 6030 1 12 . 1 1 87 87 ASN H H 87 8.286 8.286 9.195 -0.909 18087 6031 1 12 . 1 1 88 88 PHE N N 88 119.698 119.698 120.173 -0.475 18087 6032 1 12 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.263 0.215 18087 6033 1 12 . 1 1 88 88 PHE C C 88 177.057 177.057 177.093 -0.036 18087 6034 1 12 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.510 -1.964 18087 6035 1 12 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.914 0.697 18087 6036 1 12 . 1 1 88 88 PHE H H 88 7.909 7.909 8.046 -0.137 18087 6037 1 12 . 1 1 89 89 PHE N N 89 116.219 116.219 120.046 -3.827 18087 6038 1 12 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.255 -0.045 18087 6039 1 12 . 1 1 89 89 PHE C C 89 177.637 177.637 178.019 -0.382 18087 6040 1 12 . 1 1 89 89 PHE CA C 89 58.752 58.752 60.920 -2.168 18087 6041 1 12 . 1 1 89 89 PHE CB C 89 39.781 39.781 38.232 1.549 18087 6042 1 12 . 1 1 89 89 PHE H H 89 8.049 8.049 8.313 -0.264 18087 6043 1 12 . 1 1 90 90 TRP N N 90 117.712 117.712 118.158 -0.446 18087 6044 1 12 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.304 0.224 18087 6045 1 12 . 1 1 90 90 TRP C C 90 176.741 176.741 177.896 -1.155 18087 6046 1 12 . 1 1 90 90 TRP CA C 90 58.109 58.109 60.334 -2.225 18087 6047 1 12 . 1 1 90 90 TRP CB C 90 29.720 29.720 28.585 1.135 18087 6048 1 12 . 1 1 90 90 TRP H H 90 8.257 8.257 8.161 0.096 18087 6049 1 12 . 1 1 91 91 GLU N N 91 120.493 120.493 116.243 4.250 18087 6050 1 12 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.154 0.274 18087 6051 1 12 . 1 1 91 91 GLU C C 91 176.393 176.393 177.138 -0.745 18087 6052 1 12 . 1 1 91 91 GLU CA C 91 57.193 57.193 57.766 -0.573 18087 6053 1 12 . 1 1 91 91 GLU CB C 91 29.850 29.850 30.136 -0.286 18087 6054 1 12 . 1 1 91 91 GLU H H 91 7.988 7.988 7.701 0.287 18087 6055 1 12 . 1 1 92 92 ASN N N 92 119.006 119.006 118.147 0.859 18087 6056 1 12 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.662 0.125 18087 6057 1 12 . 1 1 92 92 ASN C C 92 174.284 174.284 173.449 0.835 18087 6058 1 12 . 1 1 92 92 ASN CA C 92 53.198 53.198 52.617 0.581 18087 6059 1 12 . 1 1 92 92 ASN CB C 92 39.233 39.233 37.682 1.551 18087 6060 1 12 . 1 1 92 92 ASN H H 92 8.203 8.203 8.120 0.083 18087 6061 1 13 . 1 1 2 2 SER N N 2 117.254 117.254 116.908 0.346 18087 6062 1 13 . 1 1 2 2 SER HA H 2 4.737 4.737 4.507 0.230 18087 6063 1 13 . 1 1 2 2 SER C C 2 175.320 175.320 175.519 -0.199 18087 6064 1 13 . 1 1 2 2 SER CA C 2 57.476 57.476 57.646 -0.170 18087 6065 1 13 . 1 1 2 2 SER CB C 2 64.594 64.594 64.301 0.293 18087 6066 1 13 . 1 1 2 2 SER H H 2 8.686 8.686 8.494 0.192 18087 6067 1 13 . 1 1 3 3 GLU N N 3 124.640 124.640 122.671 1.969 18087 6068 1 13 . 1 1 3 3 GLU HA H 3 4.108 4.108 3.996 0.112 18087 6069 1 13 . 1 1 3 3 GLU C C 3 178.972 178.972 178.413 0.559 18087 6070 1 13 . 1 1 3 3 GLU CA C 3 60.375 60.375 60.396 -0.021 18087 6071 1 13 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.043 0.701 18087 6072 1 13 . 1 1 3 3 GLU H H 3 9.242 9.242 8.911 0.331 18087 6073 1 13 . 1 1 4 4 LEU N N 4 119.682 119.682 119.167 0.515 18087 6074 1 13 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.061 -0.109 18087 6075 1 13 . 1 1 4 4 LEU C C 4 178.027 178.027 179.085 -1.058 18087 6076 1 13 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.570 -0.391 18087 6077 1 13 . 1 1 4 4 LEU CB C 4 42.308 42.308 40.941 1.367 18087 6078 1 13 . 1 1 4 4 LEU H H 4 8.952 8.952 8.371 0.581 18087 6079 1 13 . 1 1 5 5 GLU N N 5 118.542 118.542 118.705 -0.163 18087 6080 1 13 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.007 -0.215 18087 6081 1 13 . 1 1 5 5 GLU C C 5 178.389 178.389 179.036 -0.647 18087 6082 1 13 . 1 1 5 5 GLU CA C 5 60.051 60.051 60.090 -0.039 18087 6083 1 13 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.220 0.763 18087 6084 1 13 . 1 1 5 5 GLU H H 5 7.968 7.968 8.477 -0.509 18087 6085 1 13 . 1 1 6 6 THR N N 6 114.278 114.278 117.588 -3.310 18087 6086 1 13 . 1 1 6 6 THR HA H 6 4.015 4.015 3.956 0.059 18087 6087 1 13 . 1 1 6 6 THR C C 6 176.990 176.990 176.895 0.095 18087 6088 1 13 . 1 1 6 6 THR CA C 6 66.450 66.450 66.519 -0.069 18087 6089 1 13 . 1 1 6 6 THR CB C 6 68.637 68.637 68.684 -0.047 18087 6090 1 13 . 1 1 6 6 THR H H 6 8.177 8.177 8.655 -0.478 18087 6091 1 13 . 1 1 7 7 ALA N N 7 126.659 126.659 126.194 0.465 18087 6092 1 13 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.094 0.069 18087 6093 1 13 . 1 1 7 7 ALA C C 7 179.338 179.338 179.625 -0.287 18087 6094 1 13 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.273 0.542 18087 6095 1 13 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.354 -0.170 18087 6096 1 13 . 1 1 7 7 ALA H H 7 8.166 8.166 8.985 -0.819 18087 6097 1 13 . 1 1 8 8 MET N N 8 117.727 117.727 117.215 0.512 18087 6098 1 13 . 1 1 8 8 MET HA H 8 3.731 3.731 4.350 -0.619 18087 6099 1 13 . 1 1 8 8 MET C C 8 178.071 178.071 179.082 -1.011 18087 6100 1 13 . 1 1 8 8 MET CA C 8 60.447 60.447 57.108 3.339 18087 6101 1 13 . 1 1 8 8 MET CB C 8 34.928 34.928 31.203 3.725 18087 6102 1 13 . 1 1 8 8 MET H H 8 8.090 8.090 8.485 -0.395 18087 6103 1 13 . 1 1 9 9 GLU N N 9 117.303 117.303 119.835 -2.532 18087 6104 1 13 . 1 1 9 9 GLU HA H 9 3.907 3.907 4.045 -0.138 18087 6105 1 13 . 1 1 9 9 GLU C C 9 179.261 179.261 179.369 -0.108 18087 6106 1 13 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.709 0.321 18087 6107 1 13 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.167 0.332 18087 6108 1 13 . 1 1 9 9 GLU H H 9 8.603 8.603 8.832 -0.229 18087 6109 1 13 . 1 1 10 10 THR N N 10 117.583 117.583 117.598 -0.015 18087 6110 1 13 . 1 1 10 10 THR HA H 10 4.088 4.088 4.117 -0.029 18087 6111 1 13 . 1 1 10 10 THR C C 10 175.758 175.758 177.048 -1.290 18087 6112 1 13 . 1 1 10 10 THR CA C 10 67.439 67.439 66.538 0.901 18087 6113 1 13 . 1 1 10 10 THR CB C 10 68.014 68.014 68.390 -0.376 18087 6114 1 13 . 1 1 10 10 THR H H 10 8.483 8.483 8.716 -0.233 18087 6115 1 13 . 1 1 11 11 LEU N N 11 119.623 119.623 122.193 -2.570 18087 6116 1 13 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.359 -0.389 18087 6117 1 13 . 1 1 11 11 LEU C C 11 178.935 178.935 179.515 -0.580 18087 6118 1 13 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.414 0.761 18087 6119 1 13 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.799 0.062 18087 6120 1 13 . 1 1 11 11 LEU H H 11 8.013 8.013 8.436 -0.423 18087 6121 1 13 . 1 1 12 12 ILE N N 12 119.751 119.751 120.288 -0.537 18087 6122 1 13 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.628 0.365 18087 6123 1 13 . 1 1 12 12 ILE C C 12 177.717 177.717 178.241 -0.524 18087 6124 1 13 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.372 1.376 18087 6125 1 13 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.336 2.930 18087 6126 1 13 . 1 1 12 12 ILE H H 12 7.708 7.708 8.643 -0.935 18087 6127 1 13 . 1 1 13 13 ASN N N 13 121.260 121.260 119.237 2.023 18087 6128 1 13 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.565 0.002 18087 6129 1 13 . 1 1 13 13 ASN C C 13 178.941 178.941 178.135 0.806 18087 6130 1 13 . 1 1 13 13 ASN CA C 13 56.339 56.339 57.240 -0.901 18087 6131 1 13 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.592 -0.498 18087 6132 1 13 . 1 1 13 13 ASN H H 13 9.125 9.125 8.645 0.480 18087 6133 1 13 . 1 1 14 14 VAL N N 14 120.868 120.868 120.408 0.460 18087 6134 1 13 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.826 0.041 18087 6135 1 13 . 1 1 14 14 VAL C C 14 177.827 177.827 177.925 -0.098 18087 6136 1 13 . 1 1 14 14 VAL CA C 14 66.715 66.715 66.823 -0.109 18087 6137 1 13 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.405 0.496 18087 6138 1 13 . 1 1 14 14 VAL H H 14 8.965 8.965 7.829 1.136 18087 6139 1 13 . 1 1 15 15 PHE N N 15 117.672 117.672 121.867 -4.195 18087 6140 1 13 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.930 -0.484 18087 6141 1 13 . 1 1 15 15 PHE C C 15 177.713 177.713 177.358 0.355 18087 6142 1 13 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.324 0.117 18087 6143 1 13 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.143 0.038 18087 6144 1 13 . 1 1 15 15 PHE H H 15 6.968 6.968 8.994 -2.026 18087 6145 1 13 . 1 1 16 16 HIS N N 16 115.122 115.122 121.523 -6.401 18087 6146 1 13 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.523 -0.154 18087 6147 1 13 . 1 1 16 16 HIS C C 16 176.987 176.987 177.369 -0.382 18087 6148 1 13 . 1 1 16 16 HIS CA C 16 58.413 58.413 58.858 -0.445 18087 6149 1 13 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.677 -1.417 18087 6150 1 13 . 1 1 16 16 HIS H H 16 8.020 8.020 9.513 -1.493 18087 6151 1 13 . 1 1 17 17 ALA N N 17 122.533 122.533 121.503 1.030 18087 6152 1 13 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.779 0.338 18087 6153 1 13 . 1 1 17 17 ALA CA C 17 54.064 54.064 54.988 -0.924 18087 6154 1 13 . 1 1 17 17 ALA CB C 17 17.908 17.908 17.934 -0.026 18087 6155 1 13 . 1 1 17 17 ALA H H 17 8.282 8.282 8.717 -0.435 18087 6156 1 13 . 1 1 18 18 HIS N N 18 113.127 113.127 116.824 -3.697 18087 6157 1 13 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.205 0.203 18087 6158 1 13 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.770 -2.522 18087 6159 1 13 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.717 1.545 18087 6160 1 13 . 1 1 18 18 HIS H H 18 7.124 7.124 8.583 -1.459 18087 6161 1 13 . 1 1 19 19 SER HA H 19 3.963 3.963 4.239 -0.276 18087 6162 1 13 . 1 1 19 19 SER CA C 19 59.969 59.969 62.361 -2.392 18087 6163 1 13 . 1 1 19 19 SER CB C 19 62.416 62.416 62.566 -0.150 18087 6164 1 13 . 1 1 20 20 GLY N N 20 107.243 107.243 108.575 -1.332 18087 6165 1 13 . 1 1 20 20 GLY CA C 20 46.114 46.114 47.106 -0.992 18087 6166 1 13 . 1 1 20 20 GLY H H 20 7.915 7.915 8.172 -0.257 18087 6167 1 13 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.023 -0.066 18087 6168 1 13 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.450 -0.405 18087 6169 1 13 . 1 1 21 21 LYS CB C 21 31.937 31.937 31.559 0.378 18087 6170 1 13 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.129 -0.087 18087 6171 1 13 . 1 1 22 22 GLU CA C 22 58.755 58.755 58.329 0.426 18087 6172 1 13 . 1 1 22 22 GLU CB C 22 30.184 30.184 30.523 -0.339 18087 6173 1 13 . 1 1 23 23 GLY N N 23 111.113 111.113 106.147 4.966 18087 6174 1 13 . 1 1 23 23 GLY CA C 23 46.790 46.790 44.716 2.074 18087 6175 1 13 . 1 1 23 23 GLY H H 23 8.435 8.435 8.368 0.067 18087 6176 1 13 . 1 1 24 24 ASP N N 24 123.994 123.994 121.051 2.943 18087 6177 1 13 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.744 -0.248 18087 6178 1 13 . 1 1 24 24 ASP CA C 24 54.286 54.286 52.833 1.453 18087 6179 1 13 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.745 -0.743 18087 6180 1 13 . 1 1 24 24 ASP H H 24 8.501 8.501 7.776 0.725 18087 6181 1 13 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.231 0.211 18087 6182 1 13 . 1 1 25 25 LYS CA C 25 56.523 56.523 58.300 -1.777 18087 6183 1 13 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.959 0.312 18087 6184 1 13 . 1 1 26 26 TYR N N 26 119.967 119.967 113.841 6.126 18087 6185 1 13 . 1 1 26 26 TYR HA H 26 4.792 4.792 5.233 -0.441 18087 6186 1 13 . 1 1 26 26 TYR CA C 26 57.019 57.019 55.969 1.050 18087 6187 1 13 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.728 -0.297 18087 6188 1 13 . 1 1 26 26 TYR H H 26 8.712 8.712 8.378 0.334 18087 6189 1 13 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.993 0.306 18087 6190 1 13 . 1 1 27 27 LYS C C 27 174.308 174.308 173.319 0.989 18087 6191 1 13 . 1 1 27 27 LYS CA C 27 54.365 54.365 55.106 -0.741 18087 6192 1 13 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.687 -0.293 18087 6193 1 13 . 1 1 28 28 LEU N N 28 121.194 121.194 121.935 -0.741 18087 6194 1 13 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.718 0.002 18087 6195 1 13 . 1 1 28 28 LEU C C 28 178.895 178.895 174.523 4.372 18087 6196 1 13 . 1 1 28 28 LEU CA C 28 52.968 52.968 53.215 -0.247 18087 6197 1 13 . 1 1 28 28 LEU CB C 28 46.211 46.211 46.126 0.085 18087 6198 1 13 . 1 1 28 28 LEU H H 28 8.632 8.632 8.686 -0.054 18087 6199 1 13 . 1 1 29 29 SER N N 29 119.705 119.705 119.769 -0.064 18087 6200 1 13 . 1 1 29 29 SER HA H 29 4.987 4.987 4.824 0.163 18087 6201 1 13 . 1 1 29 29 SER C C 29 175.742 175.742 174.820 0.922 18087 6202 1 13 . 1 1 29 29 SER CA C 29 57.873 57.873 56.937 0.936 18087 6203 1 13 . 1 1 29 29 SER CB C 29 64.531 64.531 64.717 -0.186 18087 6204 1 13 . 1 1 29 29 SER H H 29 8.901 8.901 9.024 -0.123 18087 6205 1 13 . 1 1 30 30 LYS N N 30 124.208 124.208 123.079 1.129 18087 6206 1 13 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.101 -0.287 18087 6207 1 13 . 1 1 30 30 LYS C C 30 178.469 178.469 178.180 0.289 18087 6208 1 13 . 1 1 30 30 LYS CA C 30 61.433 61.433 58.465 2.968 18087 6209 1 13 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.520 0.749 18087 6210 1 13 . 1 1 30 30 LYS H H 30 8.836 8.836 9.048 -0.212 18087 6211 1 13 . 1 1 31 31 LYS N N 31 119.570 119.570 119.788 -0.218 18087 6212 1 13 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.050 -0.004 18087 6213 1 13 . 1 1 31 31 LYS C C 31 179.409 179.409 178.422 0.987 18087 6214 1 13 . 1 1 31 31 LYS CA C 31 59.223 59.223 59.325 -0.102 18087 6215 1 13 . 1 1 31 31 LYS CB C 31 32.386 32.386 31.632 0.754 18087 6216 1 13 . 1 1 31 31 LYS H H 31 8.597 8.597 7.986 0.611 18087 6217 1 13 . 1 1 32 32 GLU N N 32 119.551 119.551 119.881 -0.330 18087 6218 1 13 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.165 -0.119 18087 6219 1 13 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.397 0.602 18087 6220 1 13 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.363 -0.893 18087 6221 1 13 . 1 1 32 32 GLU H H 32 7.442 7.442 7.767 -0.325 18087 6222 1 13 . 1 1 33 33 LEU N N 33 121.725 121.725 121.305 0.420 18087 6223 1 13 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.951 0.117 18087 6224 1 13 . 1 1 33 33 LEU C C 33 177.279 177.279 178.502 -1.223 18087 6225 1 13 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.295 -0.899 18087 6226 1 13 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.520 -0.935 18087 6227 1 13 . 1 1 33 33 LEU H H 33 8.579 8.579 7.972 0.607 18087 6228 1 13 . 1 1 34 34 LYS N N 34 120.543 120.543 118.579 1.964 18087 6229 1 13 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.970 -0.334 18087 6230 1 13 . 1 1 34 34 LYS C C 34 177.868 177.868 179.235 -1.367 18087 6231 1 13 . 1 1 34 34 LYS CA C 34 60.704 60.704 60.323 0.381 18087 6232 1 13 . 1 1 34 34 LYS CB C 34 31.870 31.870 32.272 -0.402 18087 6233 1 13 . 1 1 34 34 LYS H H 34 8.618 8.618 7.659 0.960 18087 6234 1 13 . 1 1 35 35 GLU N N 35 117.340 117.340 119.742 -2.402 18087 6235 1 13 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.036 -0.029 18087 6236 1 13 . 1 1 35 35 GLU C C 35 179.008 179.008 179.254 -0.246 18087 6237 1 13 . 1 1 35 35 GLU CA C 35 59.366 59.366 59.328 0.038 18087 6238 1 13 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.700 -0.505 18087 6239 1 13 . 1 1 35 35 GLU H H 35 7.713 7.713 7.542 0.171 18087 6240 1 13 . 1 1 36 36 LEU N N 36 122.745 122.745 123.115 -0.370 18087 6241 1 13 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.945 0.068 18087 6242 1 13 . 1 1 36 36 LEU C C 36 178.646 178.646 177.967 0.679 18087 6243 1 13 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.118 0.258 18087 6244 1 13 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.501 0.387 18087 6245 1 13 . 1 1 36 36 LEU H H 36 8.150 8.150 8.771 -0.621 18087 6246 1 13 . 1 1 37 37 LEU N N 37 118.881 118.881 119.723 -0.842 18087 6247 1 13 . 1 1 37 37 LEU HA H 37 3.748 3.748 3.876 -0.128 18087 6248 1 13 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.417 -0.056 18087 6249 1 13 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.749 -0.336 18087 6250 1 13 . 1 1 37 37 LEU H H 37 8.495 8.495 8.788 -0.293 18087 6251 1 13 . 1 1 38 38 GLN N N 38 115.311 115.311 117.093 -1.782 18087 6252 1 13 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.040 -0.251 18087 6253 1 13 . 1 1 38 38 GLN C C 38 177.826 177.826 178.358 -0.532 18087 6254 1 13 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.704 0.156 18087 6255 1 13 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.064 0.257 18087 6256 1 13 . 1 1 38 38 GLN H H 38 8.348 8.348 7.944 0.404 18087 6257 1 13 . 1 1 39 39 THR N N 39 112.151 112.151 117.286 -5.135 18087 6258 1 13 . 1 1 39 39 THR HA H 39 4.186 4.186 4.129 0.057 18087 6259 1 13 . 1 1 39 39 THR C C 39 177.166 177.166 177.164 0.002 18087 6260 1 13 . 1 1 39 39 THR CA C 39 65.284 65.284 66.662 -1.378 18087 6261 1 13 . 1 1 39 39 THR CB C 39 69.179 69.179 68.534 0.645 18087 6262 1 13 . 1 1 39 39 THR H H 39 7.872 7.872 8.507 -0.635 18087 6263 1 13 . 1 1 40 40 GLU N N 40 119.602 119.602 120.875 -1.273 18087 6264 1 13 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.324 0.042 18087 6265 1 13 . 1 1 40 40 GLU C C 40 178.228 178.228 178.262 -0.034 18087 6266 1 13 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.306 0.317 18087 6267 1 13 . 1 1 40 40 GLU CB C 40 30.934 30.934 30.062 0.872 18087 6268 1 13 . 1 1 40 40 GLU H H 40 8.713 8.713 8.516 0.197 18087 6269 1 13 . 1 1 41 41 LEU N N 41 118.018 118.018 121.192 -3.174 18087 6270 1 13 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.771 0.361 18087 6271 1 13 . 1 1 41 41 LEU C C 41 176.993 176.993 176.987 0.006 18087 6272 1 13 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.730 -0.911 18087 6273 1 13 . 1 1 41 41 LEU CB C 41 41.962 41.962 41.068 0.894 18087 6274 1 13 . 1 1 41 41 LEU H H 41 8.243 8.243 8.437 -0.194 18087 6275 1 13 . 1 1 42 42 SER N N 42 114.483 114.483 117.593 -3.110 18087 6276 1 13 . 1 1 42 42 SER HA H 42 3.950 3.950 4.308 -0.358 18087 6277 1 13 . 1 1 42 42 SER C C 42 176.651 176.651 176.873 -0.222 18087 6278 1 13 . 1 1 42 42 SER CA C 42 62.225 62.225 62.439 -0.214 18087 6279 1 13 . 1 1 42 42 SER CB C 42 62.675 62.675 62.883 -0.208 18087 6280 1 13 . 1 1 42 42 SER H H 42 7.019 7.019 7.819 -0.800 18087 6281 1 13 . 1 1 43 43 GLY N N 43 109.381 109.381 109.079 0.302 18087 6282 1 13 . 1 1 43 43 GLY C C 43 176.476 176.476 175.955 0.521 18087 6283 1 13 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.938 0.081 18087 6284 1 13 . 1 1 43 43 GLY H H 43 8.666 8.666 8.800 -0.134 18087 6285 1 13 . 1 1 44 44 PHE N N 44 124.390 124.390 120.759 3.631 18087 6286 1 13 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.288 0.039 18087 6287 1 13 . 1 1 44 44 PHE C C 44 176.516 176.516 177.163 -0.647 18087 6288 1 13 . 1 1 44 44 PHE CA C 44 60.094 60.094 61.317 -1.223 18087 6289 1 13 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.971 0.253 18087 6290 1 13 . 1 1 44 44 PHE H H 44 8.226 8.226 7.671 0.555 18087 6291 1 13 . 1 1 45 45 LEU N N 45 117.156 117.156 121.879 -4.723 18087 6292 1 13 . 1 1 45 45 LEU HA H 45 3.418 3.418 3.988 -0.570 18087 6293 1 13 . 1 1 45 45 LEU C C 45 179.673 179.673 177.870 1.803 18087 6294 1 13 . 1 1 45 45 LEU CA C 45 57.522 57.522 57.841 -0.319 18087 6295 1 13 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.700 -1.086 18087 6296 1 13 . 1 1 45 45 LEU H H 45 8.627 8.627 9.088 -0.461 18087 6297 1 13 . 1 1 46 46 ASP N N 46 117.663 117.663 118.480 -0.817 18087 6298 1 13 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.307 0.038 18087 6299 1 13 . 1 1 46 46 ASP C C 46 177.844 177.844 178.647 -0.803 18087 6300 1 13 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.461 -0.677 18087 6301 1 13 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.823 0.307 18087 6302 1 13 . 1 1 46 46 ASP H H 46 7.933 7.933 8.649 -0.716 18087 6303 1 13 . 1 1 47 47 ALA N N 47 119.795 119.795 121.931 -2.136 18087 6304 1 13 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.164 0.039 18087 6305 1 13 . 1 1 47 47 ALA C C 47 179.300 179.300 178.581 0.719 18087 6306 1 13 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.540 -1.178 18087 6307 1 13 . 1 1 47 47 ALA CB C 47 19.011 19.011 19.103 -0.092 18087 6308 1 13 . 1 1 47 47 ALA H H 47 7.380 7.380 7.675 -0.295 18087 6309 1 13 . 1 1 48 48 GLN N N 48 115.955 115.955 116.927 -0.972 18087 6310 1 13 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.456 -0.186 18087 6311 1 13 . 1 1 48 48 GLN C C 48 175.355 175.355 175.867 -0.512 18087 6312 1 13 . 1 1 48 48 GLN CA C 48 54.026 54.026 54.672 -0.646 18087 6313 1 13 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.378 1.182 18087 6314 1 13 . 1 1 48 48 GLN H H 48 7.369 7.369 8.155 -0.786 18087 6315 1 13 . 1 1 49 49 LYS N N 49 119.402 119.402 120.188 -0.786 18087 6316 1 13 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.126 -0.110 18087 6317 1 13 . 1 1 49 49 LYS C C 49 176.255 176.255 177.023 -0.768 18087 6318 1 13 . 1 1 49 49 LYS CA C 49 58.184 58.184 58.858 -0.674 18087 6319 1 13 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.422 -0.319 18087 6320 1 13 . 1 1 49 49 LYS H H 49 7.152 7.152 7.978 -0.826 18087 6321 1 13 . 1 1 50 50 ASP N N 50 117.172 117.172 116.447 0.725 18087 6322 1 13 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.721 -0.126 18087 6323 1 13 . 1 1 50 50 ASP C C 50 175.916 175.916 175.048 0.868 18087 6324 1 13 . 1 1 50 50 ASP CA C 50 54.217 54.217 53.838 0.379 18087 6325 1 13 . 1 1 50 50 ASP CB C 50 40.309 40.309 41.358 -1.049 18087 6326 1 13 . 1 1 50 50 ASP H H 50 8.338 8.338 8.383 -0.045 18087 6327 1 13 . 1 1 51 51 VAL N N 51 121.648 121.648 120.371 1.277 18087 6328 1 13 . 1 1 51 51 VAL HA H 51 3.997 3.997 3.947 0.050 18087 6329 1 13 . 1 1 51 51 VAL C C 51 177.128 177.128 176.842 0.286 18087 6330 1 13 . 1 1 51 51 VAL CA C 51 62.404 62.404 62.170 0.234 18087 6331 1 13 . 1 1 51 51 VAL CB C 51 31.921 31.921 32.514 -0.593 18087 6332 1 13 . 1 1 51 51 VAL H H 51 7.604 7.604 7.358 0.246 18087 6333 1 13 . 1 1 52 52 ASP N N 52 129.202 129.202 127.597 1.605 18087 6334 1 13 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.308 -0.035 18087 6335 1 13 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.903 0.280 18087 6336 1 13 . 1 1 52 52 ASP CB C 52 40.935 40.935 41.285 -0.350 18087 6337 1 13 . 1 1 52 52 ASP H H 52 8.702 8.702 8.852 -0.150 18087 6338 1 13 . 1 1 53 53 ALA N N 53 118.401 118.401 121.912 -3.511 18087 6339 1 13 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.151 -0.139 18087 6340 1 13 . 1 1 53 53 ALA C C 53 179.448 179.448 179.641 -0.193 18087 6341 1 13 . 1 1 53 53 ALA CA C 53 55.053 55.053 54.828 0.225 18087 6342 1 13 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.106 1.258 18087 6343 1 13 . 1 1 53 53 ALA H H 53 8.478 8.478 8.410 0.068 18087 6344 1 13 . 1 1 54 54 VAL N N 54 115.050 115.050 118.655 -3.605 18087 6345 1 13 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.679 -0.137 18087 6346 1 13 . 1 1 54 54 VAL C C 54 177.000 177.000 177.206 -0.206 18087 6347 1 13 . 1 1 54 54 VAL CA C 54 65.220 65.220 65.934 -0.714 18087 6348 1 13 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.601 0.458 18087 6349 1 13 . 1 1 54 54 VAL H H 54 6.988 6.988 7.596 -0.608 18087 6350 1 13 . 1 1 55 55 ASP N N 55 120.834 120.834 118.719 2.115 18087 6351 1 13 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.352 -0.074 18087 6352 1 13 . 1 1 55 55 ASP C C 55 178.307 178.307 178.415 -0.108 18087 6353 1 13 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.770 -0.147 18087 6354 1 13 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.574 1.203 18087 6355 1 13 . 1 1 55 55 ASP H H 55 8.157 8.157 8.001 0.156 18087 6356 1 13 . 1 1 56 56 LYS N N 56 115.672 115.672 119.725 -4.053 18087 6357 1 13 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.082 -0.194 18087 6358 1 13 . 1 1 56 56 LYS C C 56 179.372 179.372 179.240 0.132 18087 6359 1 13 . 1 1 56 56 LYS CA C 56 59.608 59.608 58.891 0.717 18087 6360 1 13 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.088 0.290 18087 6361 1 13 . 1 1 56 56 LYS H H 56 8.348 8.348 7.582 0.766 18087 6362 1 13 . 1 1 57 57 VAL N N 57 118.238 118.238 121.659 -3.421 18087 6363 1 13 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.815 -0.086 18087 6364 1 13 . 1 1 57 57 VAL C C 57 177.541 177.541 178.626 -1.085 18087 6365 1 13 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.136 -0.434 18087 6366 1 13 . 1 1 57 57 VAL CB C 57 31.918 31.918 30.988 0.929 18087 6367 1 13 . 1 1 57 57 VAL H H 57 7.003 7.003 8.690 -1.687 18087 6368 1 13 . 1 1 58 58 MET N N 58 115.998 115.998 118.551 -2.553 18087 6369 1 13 . 1 1 58 58 MET HA H 58 4.313 4.313 4.073 0.240 18087 6370 1 13 . 1 1 58 58 MET C C 58 179.857 179.857 178.690 1.167 18087 6371 1 13 . 1 1 58 58 MET CA C 58 56.717 56.717 58.802 -2.085 18087 6372 1 13 . 1 1 58 58 MET CB C 58 32.366 32.366 31.438 0.928 18087 6373 1 13 . 1 1 58 58 MET H H 58 7.836 7.836 8.757 -0.921 18087 6374 1 13 . 1 1 59 59 LYS N N 59 119.682 119.682 120.925 -1.243 18087 6375 1 13 . 1 1 59 59 LYS HA H 59 4.088 4.088 4.027 0.061 18087 6376 1 13 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.251 0.191 18087 6377 1 13 . 1 1 59 59 LYS CB C 59 32.504 32.504 31.929 0.575 18087 6378 1 13 . 1 1 59 59 LYS H H 59 8.619 8.619 8.806 -0.187 18087 6379 1 13 . 1 1 60 60 GLU N N 60 119.917 119.917 120.620 -0.703 18087 6380 1 13 . 1 1 60 60 GLU HA H 60 3.936 3.936 3.993 -0.057 18087 6381 1 13 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.623 -0.383 18087 6382 1 13 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.513 0.576 18087 6383 1 13 . 1 1 60 60 GLU H H 60 7.721 7.721 8.552 -0.831 18087 6384 1 13 . 1 1 61 61 LEU N N 61 116.614 116.614 119.481 -2.867 18087 6385 1 13 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.037 -0.014 18087 6386 1 13 . 1 1 61 61 LEU C C 61 175.845 175.845 178.857 -3.012 18087 6387 1 13 . 1 1 61 61 LEU CA C 61 56.515 56.515 58.257 -1.742 18087 6388 1 13 . 1 1 61 61 LEU CB C 61 41.218 41.218 41.293 -0.075 18087 6389 1 13 . 1 1 61 61 LEU H H 61 7.429 7.429 7.963 -0.534 18087 6390 1 13 . 1 1 62 62 ASP N N 62 116.147 116.147 118.648 -2.501 18087 6391 1 13 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.374 0.149 18087 6392 1 13 . 1 1 62 62 ASP C C 62 177.790 177.790 179.386 -1.596 18087 6393 1 13 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.233 -1.807 18087 6394 1 13 . 1 1 62 62 ASP CB C 62 41.880 41.880 41.075 0.805 18087 6395 1 13 . 1 1 62 62 ASP H H 62 7.423 7.423 7.978 -0.555 18087 6396 1 13 . 1 1 63 63 GLU N N 63 119.660 119.660 119.291 0.369 18087 6397 1 13 . 1 1 63 63 GLU HA H 63 4.136 4.136 4.050 0.086 18087 6398 1 13 . 1 1 63 63 GLU CA C 63 57.377 57.377 58.795 -1.418 18087 6399 1 13 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.563 0.426 18087 6400 1 13 . 1 1 63 63 GLU H H 63 7.837 7.837 8.828 -0.991 18087 6401 1 13 . 1 1 64 64 ASN N N 64 118.376 118.376 117.558 0.818 18087 6402 1 13 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.736 0.126 18087 6403 1 13 . 1 1 64 64 ASN C C 64 176.216 176.216 175.754 0.462 18087 6404 1 13 . 1 1 64 64 ASN CA C 64 52.688 52.688 52.275 0.413 18087 6405 1 13 . 1 1 64 64 ASN CB C 64 38.185 38.185 38.111 0.075 18087 6406 1 13 . 1 1 64 64 ASN H H 64 8.012 8.012 8.606 -0.594 18087 6407 1 13 . 1 1 65 65 GLY N N 65 107.248 107.248 107.812 -0.564 18087 6408 1 13 . 1 1 65 65 GLY C C 65 173.971 173.971 174.602 -0.631 18087 6409 1 13 . 1 1 65 65 GLY CA C 65 47.136 47.136 44.457 2.679 18087 6410 1 13 . 1 1 65 65 GLY H H 65 7.989 7.989 7.990 -0.001 18087 6411 1 13 . 1 1 66 66 ASP N N 66 116.989 116.989 121.059 -4.070 18087 6412 1 13 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.463 0.325 18087 6413 1 13 . 1 1 66 66 ASP C C 66 177.289 177.289 176.508 0.781 18087 6414 1 13 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.241 -2.075 18087 6415 1 13 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.084 -0.097 18087 6416 1 13 . 1 1 66 66 ASP H H 66 8.233 8.233 8.194 0.039 18087 6417 1 13 . 1 1 67 67 GLY N N 67 108.642 108.642 107.557 1.085 18087 6418 1 13 . 1 1 67 67 GLY C C 67 172.757 172.757 173.657 -0.900 18087 6419 1 13 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.408 -0.192 18087 6420 1 13 . 1 1 67 67 GLY H H 67 8.274 8.274 8.494 -0.220 18087 6421 1 13 . 1 1 68 68 GLU N N 68 118.614 118.614 118.345 0.269 18087 6422 1 13 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.616 0.339 18087 6423 1 13 . 1 1 68 68 GLU C C 68 175.881 175.881 174.258 1.623 18087 6424 1 13 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.830 -0.465 18087 6425 1 13 . 1 1 68 68 GLU CB C 68 33.488 33.488 32.510 0.978 18087 6426 1 13 . 1 1 68 68 GLU H H 68 8.404 8.404 7.769 0.635 18087 6427 1 13 . 1 1 69 69 VAL N N 69 117.572 117.572 120.845 -3.273 18087 6428 1 13 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.811 -0.046 18087 6429 1 13 . 1 1 69 69 VAL C C 69 174.820 174.820 173.653 1.167 18087 6430 1 13 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.933 0.018 18087 6431 1 13 . 1 1 69 69 VAL CB C 69 34.352 34.352 35.497 -1.145 18087 6432 1 13 . 1 1 69 69 VAL H H 69 9.167 9.167 9.193 -0.026 18087 6433 1 13 . 1 1 70 70 ASP N N 70 122.616 122.616 127.283 -4.667 18087 6434 1 13 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.095 0.119 18087 6435 1 13 . 1 1 70 70 ASP C C 70 175.822 175.822 176.346 -0.524 18087 6436 1 13 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.582 -1.206 18087 6437 1 13 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.720 -1.528 18087 6438 1 13 . 1 1 70 70 ASP H H 70 8.292 8.292 8.294 -0.002 18087 6439 1 13 . 1 1 71 71 PHE N N 71 119.243 119.243 119.342 -0.099 18087 6440 1 13 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.455 -0.704 18087 6441 1 13 . 1 1 71 71 PHE C C 71 176.387 176.387 176.979 -0.592 18087 6442 1 13 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.502 1.463 18087 6443 1 13 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.208 -0.067 18087 6444 1 13 . 1 1 71 71 PHE H H 71 8.889 8.889 8.604 0.285 18087 6445 1 13 . 1 1 72 72 GLN N N 72 116.655 116.655 117.147 -0.492 18087 6446 1 13 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.754 -0.046 18087 6447 1 13 . 1 1 72 72 GLN C C 72 177.102 177.102 178.360 -1.258 18087 6448 1 13 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.255 0.020 18087 6449 1 13 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.512 -0.345 18087 6450 1 13 . 1 1 72 72 GLN H H 72 8.021 8.021 9.479 -1.458 18087 6451 1 13 . 1 1 73 73 GLU N N 73 119.195 119.195 120.338 -1.143 18087 6452 1 13 . 1 1 73 73 GLU HA H 73 4.493 4.493 3.983 0.510 18087 6453 1 13 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.214 -4.035 18087 6454 1 13 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.619 2.195 18087 6455 1 13 . 1 1 73 73 GLU H H 73 8.066 8.066 8.186 -0.120 18087 6456 1 13 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.139 -0.053 18087 6457 1 13 . 1 1 74 74 TYR CA C 74 60.497 60.497 60.974 -0.477 18087 6458 1 13 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.549 -0.723 18087 6459 1 13 . 1 1 75 75 VAL N N 75 120.072 120.072 116.464 3.608 18087 6460 1 13 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.058 -0.075 18087 6461 1 13 . 1 1 75 75 VAL C C 75 177.295 177.295 177.154 0.141 18087 6462 1 13 . 1 1 75 75 VAL CA C 75 65.692 65.692 66.116 -0.424 18087 6463 1 13 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.964 -0.346 18087 6464 1 13 . 1 1 75 75 VAL H H 75 8.291 8.291 8.257 0.034 18087 6465 1 13 . 1 1 76 76 VAL N N 76 121.367 121.367 121.558 -0.191 18087 6466 1 13 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.627 -0.107 18087 6467 1 13 . 1 1 76 76 VAL C C 76 178.847 178.847 177.970 0.877 18087 6468 1 13 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.602 0.951 18087 6469 1 13 . 1 1 76 76 VAL CB C 76 31.388 31.388 30.864 0.523 18087 6470 1 13 . 1 1 76 76 VAL H H 76 7.571 7.571 8.001 -0.430 18087 6471 1 13 . 1 1 77 77 LEU N N 77 123.054 123.054 121.332 1.722 18087 6472 1 13 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.945 0.184 18087 6473 1 13 . 1 1 77 77 LEU C C 77 179.065 179.065 178.220 0.845 18087 6474 1 13 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.262 0.230 18087 6475 1 13 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.570 -0.274 18087 6476 1 13 . 1 1 77 77 LEU H H 77 7.360 7.360 8.310 -0.950 18087 6477 1 13 . 1 1 78 78 VAL N N 78 119.163 119.163 116.325 2.838 18087 6478 1 13 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.564 -0.291 18087 6479 1 13 . 1 1 78 78 VAL C C 78 180.217 180.217 177.911 2.306 18087 6480 1 13 . 1 1 78 78 VAL CA C 78 67.270 67.270 65.495 1.775 18087 6481 1 13 . 1 1 78 78 VAL CB C 78 31.181 31.181 30.151 1.030 18087 6482 1 13 . 1 1 78 78 VAL H H 78 8.192 8.192 7.803 0.389 18087 6483 1 13 . 1 1 79 79 ALA N N 79 125.884 125.884 124.382 1.502 18087 6484 1 13 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.771 0.026 18087 6485 1 13 . 1 1 79 79 ALA C C 79 178.708 178.708 178.834 -0.126 18087 6486 1 13 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.250 0.641 18087 6487 1 13 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.823 -0.460 18087 6488 1 13 . 1 1 79 79 ALA H H 79 9.067 9.067 8.732 0.335 18087 6489 1 13 . 1 1 80 80 ALA N N 80 121.108 121.108 121.591 -0.483 18087 6490 1 13 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.916 0.208 18087 6491 1 13 . 1 1 80 80 ALA C C 80 182.175 182.175 179.623 2.552 18087 6492 1 13 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.203 0.221 18087 6493 1 13 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.032 -0.363 18087 6494 1 13 . 1 1 80 80 ALA H H 80 7.776 7.776 8.595 -0.819 18087 6495 1 13 . 1 1 81 81 LEU N N 81 118.519 118.519 117.999 0.520 18087 6496 1 13 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.860 0.258 18087 6497 1 13 . 1 1 81 81 LEU C C 81 177.959 177.959 179.274 -1.315 18087 6498 1 13 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.979 -0.490 18087 6499 1 13 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.598 0.571 18087 6500 1 13 . 1 1 81 81 LEU H H 81 8.097 8.097 7.734 0.363 18087 6501 1 13 . 1 1 82 82 THR N N 82 119.572 119.572 116.991 2.581 18087 6502 1 13 . 1 1 82 82 THR HA H 82 3.777 3.777 3.474 0.303 18087 6503 1 13 . 1 1 82 82 THR C C 82 176.911 176.911 176.670 0.241 18087 6504 1 13 . 1 1 82 82 THR CA C 82 68.058 68.058 67.208 0.850 18087 6505 1 13 . 1 1 82 82 THR CB C 82 67.402 67.402 68.566 -1.164 18087 6506 1 13 . 1 1 82 82 THR H H 82 8.537 8.537 8.333 0.204 18087 6507 1 13 . 1 1 83 83 VAL N N 83 123.805 123.805 121.777 2.028 18087 6508 1 13 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.619 0.111 18087 6509 1 13 . 1 1 83 83 VAL C C 83 177.787 177.787 177.176 0.611 18087 6510 1 13 . 1 1 83 83 VAL CA C 83 67.394 67.394 66.013 1.381 18087 6511 1 13 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.571 0.120 18087 6512 1 13 . 1 1 83 83 VAL H H 83 8.283 8.283 8.685 -0.402 18087 6513 1 13 . 1 1 84 84 ALA N N 84 121.134 121.134 122.246 -1.112 18087 6514 1 13 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.923 0.313 18087 6515 1 13 . 1 1 84 84 ALA C C 84 180.511 180.511 179.608 0.903 18087 6516 1 13 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.247 -0.072 18087 6517 1 13 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.314 -0.887 18087 6518 1 13 . 1 1 84 84 ALA H H 84 7.466 7.466 8.393 -0.927 18087 6519 1 13 . 1 1 85 85 MET N N 85 121.755 121.755 118.554 3.201 18087 6520 1 13 . 1 1 85 85 MET HA H 85 3.796 3.796 4.407 -0.611 18087 6521 1 13 . 1 1 85 85 MET CA C 85 59.656 59.656 57.273 2.383 18087 6522 1 13 . 1 1 85 85 MET CB C 85 33.653 33.653 32.538 1.115 18087 6523 1 13 . 1 1 85 85 MET H H 85 8.549 8.549 8.774 -0.225 18087 6524 1 13 . 1 1 86 86 ASN N N 86 119.410 119.410 118.082 1.328 18087 6525 1 13 . 1 1 86 86 ASN HA H 86 4.152 4.152 3.690 0.462 18087 6526 1 13 . 1 1 86 86 ASN C C 86 176.834 176.834 177.412 -0.578 18087 6527 1 13 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.483 1.579 18087 6528 1 13 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.201 1.729 18087 6529 1 13 . 1 1 86 86 ASN H H 86 8.615 8.615 8.891 -0.276 18087 6530 1 13 . 1 1 87 87 ASN N N 87 117.077 117.077 119.486 -2.409 18087 6531 1 13 . 1 1 87 87 ASN HA H 87 4.446 4.446 4.555 -0.109 18087 6532 1 13 . 1 1 87 87 ASN C C 87 176.906 176.906 177.219 -0.313 18087 6533 1 13 . 1 1 87 87 ASN CA C 87 55.602 55.602 56.259 -0.657 18087 6534 1 13 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.288 -0.712 18087 6535 1 13 . 1 1 87 87 ASN H H 87 8.286 8.286 8.362 -0.076 18087 6536 1 13 . 1 1 88 88 PHE N N 88 119.698 119.698 118.866 0.832 18087 6537 1 13 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.214 0.264 18087 6538 1 13 . 1 1 88 88 PHE C C 88 177.057 177.057 178.212 -1.155 18087 6539 1 13 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.224 -1.677 18087 6540 1 13 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.468 1.143 18087 6541 1 13 . 1 1 88 88 PHE H H 88 7.909 7.909 7.699 0.210 18087 6542 1 13 . 1 1 89 89 PHE N N 89 116.219 116.219 119.326 -3.107 18087 6543 1 13 . 1 1 89 89 PHE HA H 89 4.210 4.210 3.977 0.233 18087 6544 1 13 . 1 1 89 89 PHE C C 89 177.637 177.637 177.591 0.046 18087 6545 1 13 . 1 1 89 89 PHE CA C 89 58.752 58.752 60.424 -1.672 18087 6546 1 13 . 1 1 89 89 PHE CB C 89 39.781 39.781 37.273 2.508 18087 6547 1 13 . 1 1 89 89 PHE H H 89 8.049 8.049 7.379 0.670 18087 6548 1 13 . 1 1 90 90 TRP N N 90 117.712 117.712 117.611 0.101 18087 6549 1 13 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.532 -0.004 18087 6550 1 13 . 1 1 90 90 TRP C C 90 176.741 176.741 178.856 -2.115 18087 6551 1 13 . 1 1 90 90 TRP CA C 90 58.109 58.109 59.023 -0.914 18087 6552 1 13 . 1 1 90 90 TRP CB C 90 29.720 29.720 29.508 0.212 18087 6553 1 13 . 1 1 90 90 TRP H H 90 8.257 8.257 7.657 0.600 18087 6554 1 13 . 1 1 91 91 GLU N N 91 120.493 120.493 118.164 2.329 18087 6555 1 13 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.150 0.278 18087 6556 1 13 . 1 1 91 91 GLU C C 91 176.393 176.393 177.049 -0.656 18087 6557 1 13 . 1 1 91 91 GLU CA C 91 57.193 57.193 58.151 -0.958 18087 6558 1 13 . 1 1 91 91 GLU CB C 91 29.850 29.850 29.939 -0.089 18087 6559 1 13 . 1 1 91 91 GLU H H 91 7.988 7.988 8.143 -0.155 18087 6560 1 13 . 1 1 92 92 ASN N N 92 119.006 119.006 119.472 -0.466 18087 6561 1 13 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.597 0.190 18087 6562 1 13 . 1 1 92 92 ASN C C 92 174.284 174.284 173.945 0.339 18087 6563 1 13 . 1 1 92 92 ASN CA C 92 53.198 53.198 54.369 -1.171 18087 6564 1 13 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.235 0.998 18087 6565 1 13 . 1 1 92 92 ASN H H 92 8.203 8.203 8.485 -0.282 18087 6566 1 14 . 1 1 2 2 SER N N 2 117.254 117.254 116.661 0.593 18087 6567 1 14 . 1 1 2 2 SER HA H 2 4.737 4.737 4.471 0.266 18087 6568 1 14 . 1 1 2 2 SER C C 2 175.320 175.320 175.487 -0.167 18087 6569 1 14 . 1 1 2 2 SER CA C 2 57.476 57.476 57.562 -0.086 18087 6570 1 14 . 1 1 2 2 SER CB C 2 64.594 64.594 64.263 0.332 18087 6571 1 14 . 1 1 2 2 SER H H 2 8.686 8.686 7.724 0.962 18087 6572 1 14 . 1 1 3 3 GLU N N 3 124.640 124.640 122.062 2.578 18087 6573 1 14 . 1 1 3 3 GLU HA H 3 4.108 4.108 3.976 0.132 18087 6574 1 14 . 1 1 3 3 GLU C C 3 178.972 178.972 178.339 0.633 18087 6575 1 14 . 1 1 3 3 GLU CA C 3 60.375 60.375 60.266 0.109 18087 6576 1 14 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.025 0.719 18087 6577 1 14 . 1 1 3 3 GLU H H 3 9.242 9.242 8.839 0.403 18087 6578 1 14 . 1 1 4 4 LEU N N 4 119.682 119.682 119.136 0.546 18087 6579 1 14 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.027 -0.075 18087 6580 1 14 . 1 1 4 4 LEU C C 4 178.027 178.027 179.000 -0.973 18087 6581 1 14 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.725 -0.546 18087 6582 1 14 . 1 1 4 4 LEU CB C 4 42.308 42.308 41.004 1.304 18087 6583 1 14 . 1 1 4 4 LEU H H 4 8.952 8.952 8.395 0.557 18087 6584 1 14 . 1 1 5 5 GLU N N 5 118.542 118.542 118.859 -0.317 18087 6585 1 14 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.002 -0.210 18087 6586 1 14 . 1 1 5 5 GLU C C 5 178.389 178.389 178.911 -0.522 18087 6587 1 14 . 1 1 5 5 GLU CA C 5 60.051 60.051 60.030 0.021 18087 6588 1 14 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.209 0.774 18087 6589 1 14 . 1 1 5 5 GLU H H 5 7.968 7.968 8.403 -0.435 18087 6590 1 14 . 1 1 6 6 THR N N 6 114.278 114.278 117.855 -3.577 18087 6591 1 14 . 1 1 6 6 THR HA H 6 4.015 4.015 4.057 -0.042 18087 6592 1 14 . 1 1 6 6 THR C C 6 176.990 176.990 176.807 0.183 18087 6593 1 14 . 1 1 6 6 THR CA C 6 66.450 66.450 67.099 -0.649 18087 6594 1 14 . 1 1 6 6 THR CB C 6 68.637 68.637 68.518 0.119 18087 6595 1 14 . 1 1 6 6 THR H H 6 8.177 8.177 8.603 -0.426 18087 6596 1 14 . 1 1 7 7 ALA N N 7 126.659 126.659 126.124 0.535 18087 6597 1 14 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.147 0.016 18087 6598 1 14 . 1 1 7 7 ALA C C 7 179.338 179.338 179.579 -0.241 18087 6599 1 14 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.113 0.702 18087 6600 1 14 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.347 -0.163 18087 6601 1 14 . 1 1 7 7 ALA H H 7 8.166 8.166 9.070 -0.904 18087 6602 1 14 . 1 1 8 8 MET N N 8 117.727 117.727 117.411 0.316 18087 6603 1 14 . 1 1 8 8 MET HA H 8 3.731 3.731 4.291 -0.560 18087 6604 1 14 . 1 1 8 8 MET C C 8 178.071 178.071 179.029 -0.958 18087 6605 1 14 . 1 1 8 8 MET CA C 8 60.447 60.447 57.141 3.306 18087 6606 1 14 . 1 1 8 8 MET CB C 8 34.928 34.928 31.374 3.554 18087 6607 1 14 . 1 1 8 8 MET H H 8 8.090 8.090 8.794 -0.704 18087 6608 1 14 . 1 1 9 9 GLU N N 9 117.303 117.303 120.368 -3.065 18087 6609 1 14 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.967 -0.060 18087 6610 1 14 . 1 1 9 9 GLU C C 9 179.261 179.261 179.194 0.067 18087 6611 1 14 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.653 0.377 18087 6612 1 14 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.435 0.064 18087 6613 1 14 . 1 1 9 9 GLU H H 9 8.603 8.603 9.028 -0.425 18087 6614 1 14 . 1 1 10 10 THR N N 10 117.583 117.583 117.572 0.011 18087 6615 1 14 . 1 1 10 10 THR HA H 10 4.088 4.088 4.058 0.030 18087 6616 1 14 . 1 1 10 10 THR C C 10 175.758 175.758 176.936 -1.178 18087 6617 1 14 . 1 1 10 10 THR CA C 10 67.439 67.439 67.280 0.159 18087 6618 1 14 . 1 1 10 10 THR CB C 10 68.014 68.014 68.635 -0.621 18087 6619 1 14 . 1 1 10 10 THR H H 10 8.483 8.483 8.420 0.063 18087 6620 1 14 . 1 1 11 11 LEU N N 11 119.623 119.623 122.325 -2.702 18087 6621 1 14 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.375 -0.405 18087 6622 1 14 . 1 1 11 11 LEU C C 11 178.935 178.935 179.744 -0.809 18087 6623 1 14 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.386 0.789 18087 6624 1 14 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.910 -0.049 18087 6625 1 14 . 1 1 11 11 LEU H H 11 8.013 8.013 8.185 -0.172 18087 6626 1 14 . 1 1 12 12 ILE N N 12 119.751 119.751 120.255 -0.504 18087 6627 1 14 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.633 0.360 18087 6628 1 14 . 1 1 12 12 ILE C C 12 177.717 177.717 178.207 -0.490 18087 6629 1 14 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.276 1.472 18087 6630 1 14 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.439 2.827 18087 6631 1 14 . 1 1 12 12 ILE H H 12 7.708 7.708 8.754 -1.046 18087 6632 1 14 . 1 1 13 13 ASN N N 13 121.260 121.260 119.057 2.203 18087 6633 1 14 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.504 0.063 18087 6634 1 14 . 1 1 13 13 ASN C C 13 178.941 178.941 178.214 0.727 18087 6635 1 14 . 1 1 13 13 ASN CA C 13 56.339 56.339 56.744 -0.405 18087 6636 1 14 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.338 -0.244 18087 6637 1 14 . 1 1 13 13 ASN H H 13 9.125 9.125 8.880 0.245 18087 6638 1 14 . 1 1 14 14 VAL N N 14 120.868 120.868 120.341 0.527 18087 6639 1 14 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.812 0.055 18087 6640 1 14 . 1 1 14 14 VAL C C 14 177.827 177.827 177.776 0.051 18087 6641 1 14 . 1 1 14 14 VAL CA C 14 66.715 66.715 66.747 -0.032 18087 6642 1 14 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.494 0.408 18087 6643 1 14 . 1 1 14 14 VAL H H 14 8.965 8.965 7.902 1.063 18087 6644 1 14 . 1 1 15 15 PHE N N 15 117.672 117.672 121.504 -3.832 18087 6645 1 14 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.782 -0.336 18087 6646 1 14 . 1 1 15 15 PHE C C 15 177.713 177.713 177.509 0.204 18087 6647 1 14 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.291 0.150 18087 6648 1 14 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.140 0.041 18087 6649 1 14 . 1 1 15 15 PHE H H 15 6.968 6.968 8.679 -1.711 18087 6650 1 14 . 1 1 16 16 HIS N N 16 115.122 115.122 118.475 -3.353 18087 6651 1 14 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.196 0.173 18087 6652 1 14 . 1 1 16 16 HIS C C 16 176.987 176.987 177.700 -0.713 18087 6653 1 14 . 1 1 16 16 HIS CA C 16 58.413 58.413 60.784 -2.371 18087 6654 1 14 . 1 1 16 16 HIS CB C 16 28.260 28.260 30.026 -1.766 18087 6655 1 14 . 1 1 16 16 HIS H H 16 8.020 8.020 9.142 -1.122 18087 6656 1 14 . 1 1 17 17 ALA N N 17 122.533 122.533 121.910 0.623 18087 6657 1 14 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.924 0.193 18087 6658 1 14 . 1 1 17 17 ALA CA C 17 54.064 54.064 55.222 -1.158 18087 6659 1 14 . 1 1 17 17 ALA CB C 17 17.908 17.908 17.931 -0.023 18087 6660 1 14 . 1 1 17 17 ALA H H 17 8.282 8.282 8.327 -0.045 18087 6661 1 14 . 1 1 18 18 HIS N N 18 113.127 113.127 116.945 -3.818 18087 6662 1 14 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.261 0.147 18087 6663 1 14 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.336 -2.088 18087 6664 1 14 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.492 1.770 18087 6665 1 14 . 1 1 18 18 HIS H H 18 7.124 7.124 8.406 -1.282 18087 6666 1 14 . 1 1 19 19 SER HA H 19 3.963 3.963 4.204 -0.241 18087 6667 1 14 . 1 1 19 19 SER CA C 19 59.969 59.969 62.448 -2.479 18087 6668 1 14 . 1 1 19 19 SER CB C 19 62.416 62.416 62.365 0.051 18087 6669 1 14 . 1 1 20 20 GLY N N 20 107.243 107.243 109.508 -2.265 18087 6670 1 14 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.934 -0.820 18087 6671 1 14 . 1 1 20 20 GLY H H 20 7.915 7.915 8.476 -0.561 18087 6672 1 14 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.025 -0.068 18087 6673 1 14 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.581 -0.536 18087 6674 1 14 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.534 -0.597 18087 6675 1 14 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.092 -0.050 18087 6676 1 14 . 1 1 22 22 GLU CA C 22 58.755 58.755 57.767 0.989 18087 6677 1 14 . 1 1 22 22 GLU CB C 22 30.184 30.184 30.081 0.103 18087 6678 1 14 . 1 1 23 23 GLY N N 23 111.113 111.113 106.981 4.132 18087 6679 1 14 . 1 1 23 23 GLY CA C 23 46.790 46.790 44.380 2.410 18087 6680 1 14 . 1 1 23 23 GLY H H 23 8.435 8.435 8.304 0.131 18087 6681 1 14 . 1 1 24 24 ASP N N 24 123.994 123.994 121.812 2.182 18087 6682 1 14 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.576 -0.080 18087 6683 1 14 . 1 1 24 24 ASP CA C 24 54.286 54.286 53.588 0.698 18087 6684 1 14 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.172 -0.170 18087 6685 1 14 . 1 1 24 24 ASP H H 24 8.501 8.501 8.512 -0.011 18087 6686 1 14 . 1 1 25 25 LYS HA H 25 4.442 4.442 3.998 0.444 18087 6687 1 14 . 1 1 25 25 LYS CA C 25 56.523 56.523 58.043 -1.520 18087 6688 1 14 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.643 0.628 18087 6689 1 14 . 1 1 26 26 TYR N N 26 119.967 119.967 114.088 5.879 18087 6690 1 14 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.564 0.228 18087 6691 1 14 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.321 0.698 18087 6692 1 14 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.852 -0.421 18087 6693 1 14 . 1 1 26 26 TYR H H 26 8.712 8.712 8.125 0.587 18087 6694 1 14 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.909 0.390 18087 6695 1 14 . 1 1 27 27 LYS C C 27 174.308 174.308 173.843 0.465 18087 6696 1 14 . 1 1 27 27 LYS CA C 27 54.365 54.365 54.804 -0.439 18087 6697 1 14 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.206 0.188 18087 6698 1 14 . 1 1 28 28 LEU N N 28 121.194 121.194 122.906 -1.712 18087 6699 1 14 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.493 0.227 18087 6700 1 14 . 1 1 28 28 LEU C C 28 178.895 178.895 174.592 4.303 18087 6701 1 14 . 1 1 28 28 LEU CA C 28 52.968 52.968 52.919 0.049 18087 6702 1 14 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.251 0.960 18087 6703 1 14 . 1 1 28 28 LEU H H 28 8.632 8.632 8.939 -0.307 18087 6704 1 14 . 1 1 29 29 SER N N 29 119.705 119.705 120.798 -1.093 18087 6705 1 14 . 1 1 29 29 SER HA H 29 4.987 4.987 4.995 -0.008 18087 6706 1 14 . 1 1 29 29 SER C C 29 175.742 175.742 175.496 0.246 18087 6707 1 14 . 1 1 29 29 SER CA C 29 57.873 57.873 57.646 0.227 18087 6708 1 14 . 1 1 29 29 SER CB C 29 64.531 64.531 64.936 -0.405 18087 6709 1 14 . 1 1 29 29 SER H H 29 8.901 8.901 8.679 0.222 18087 6710 1 14 . 1 1 30 30 LYS N N 30 124.208 124.208 121.406 2.802 18087 6711 1 14 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.192 -0.378 18087 6712 1 14 . 1 1 30 30 LYS C C 30 178.469 178.469 178.895 -0.426 18087 6713 1 14 . 1 1 30 30 LYS CA C 30 61.433 61.433 56.482 4.951 18087 6714 1 14 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.442 0.828 18087 6715 1 14 . 1 1 30 30 LYS H H 30 8.836 8.836 8.394 0.442 18087 6716 1 14 . 1 1 31 31 LYS N N 31 119.570 119.570 120.896 -1.326 18087 6717 1 14 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.062 -0.016 18087 6718 1 14 . 1 1 31 31 LYS C C 31 179.409 179.409 178.450 0.959 18087 6719 1 14 . 1 1 31 31 LYS CA C 31 59.223 59.223 60.249 -1.026 18087 6720 1 14 . 1 1 31 31 LYS CB C 31 32.386 32.386 32.033 0.353 18087 6721 1 14 . 1 1 31 31 LYS H H 31 8.597 8.597 8.080 0.517 18087 6722 1 14 . 1 1 32 32 GLU N N 32 119.551 119.551 119.553 -0.002 18087 6723 1 14 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.063 -0.017 18087 6724 1 14 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.819 0.179 18087 6725 1 14 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.392 -0.922 18087 6726 1 14 . 1 1 32 32 GLU H H 32 7.442 7.442 7.707 -0.265 18087 6727 1 14 . 1 1 33 33 LEU N N 33 121.725 121.725 121.127 0.598 18087 6728 1 14 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.983 0.085 18087 6729 1 14 . 1 1 33 33 LEU C C 33 177.279 177.279 178.714 -1.435 18087 6730 1 14 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.407 -1.011 18087 6731 1 14 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.594 -1.009 18087 6732 1 14 . 1 1 33 33 LEU H H 33 8.579 8.579 8.411 0.168 18087 6733 1 14 . 1 1 34 34 LYS N N 34 120.543 120.543 118.106 2.437 18087 6734 1 14 . 1 1 34 34 LYS HA H 34 3.636 3.636 4.049 -0.413 18087 6735 1 14 . 1 1 34 34 LYS C C 34 177.868 177.868 179.498 -1.630 18087 6736 1 14 . 1 1 34 34 LYS CA C 34 60.704 60.704 59.161 1.543 18087 6737 1 14 . 1 1 34 34 LYS CB C 34 31.870 31.870 31.998 -0.128 18087 6738 1 14 . 1 1 34 34 LYS H H 34 8.618 8.618 7.740 0.878 18087 6739 1 14 . 1 1 35 35 GLU N N 35 117.340 117.340 119.204 -1.864 18087 6740 1 14 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.171 -0.164 18087 6741 1 14 . 1 1 35 35 GLU C C 35 179.008 179.008 179.174 -0.166 18087 6742 1 14 . 1 1 35 35 GLU CA C 35 59.366 59.366 58.692 0.674 18087 6743 1 14 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.465 -0.270 18087 6744 1 14 . 1 1 35 35 GLU H H 35 7.713 7.713 7.814 -0.101 18087 6745 1 14 . 1 1 36 36 LEU N N 36 122.745 122.745 121.683 1.062 18087 6746 1 14 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.170 -0.157 18087 6747 1 14 . 1 1 36 36 LEU C C 36 178.646 178.646 178.319 0.327 18087 6748 1 14 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.524 -0.148 18087 6749 1 14 . 1 1 36 36 LEU CB C 36 41.888 41.888 40.778 1.110 18087 6750 1 14 . 1 1 36 36 LEU H H 36 8.150 8.150 8.828 -0.678 18087 6751 1 14 . 1 1 37 37 LEU N N 37 118.881 118.881 120.645 -1.764 18087 6752 1 14 . 1 1 37 37 LEU HA H 37 3.748 3.748 3.989 -0.241 18087 6753 1 14 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.636 -0.275 18087 6754 1 14 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.230 0.183 18087 6755 1 14 . 1 1 37 37 LEU H H 37 8.495 8.495 8.154 0.341 18087 6756 1 14 . 1 1 38 38 GLN N N 38 115.311 115.311 116.649 -1.338 18087 6757 1 14 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.047 -0.258 18087 6758 1 14 . 1 1 38 38 GLN C C 38 177.826 177.826 178.100 -0.274 18087 6759 1 14 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.695 0.165 18087 6760 1 14 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.001 0.320 18087 6761 1 14 . 1 1 38 38 GLN H H 38 8.348 8.348 7.776 0.572 18087 6762 1 14 . 1 1 39 39 THR N N 39 112.151 112.151 116.709 -4.558 18087 6763 1 14 . 1 1 39 39 THR HA H 39 4.186 4.186 4.000 0.186 18087 6764 1 14 . 1 1 39 39 THR C C 39 177.166 177.166 177.090 0.076 18087 6765 1 14 . 1 1 39 39 THR CA C 39 65.284 65.284 66.751 -1.467 18087 6766 1 14 . 1 1 39 39 THR CB C 39 69.179 69.179 68.537 0.642 18087 6767 1 14 . 1 1 39 39 THR H H 39 7.872 7.872 7.966 -0.094 18087 6768 1 14 . 1 1 40 40 GLU N N 40 119.602 119.602 119.813 -0.211 18087 6769 1 14 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.287 0.079 18087 6770 1 14 . 1 1 40 40 GLU C C 40 178.228 178.228 178.226 0.002 18087 6771 1 14 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.266 0.358 18087 6772 1 14 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.978 0.956 18087 6773 1 14 . 1 1 40 40 GLU H H 40 8.713 8.713 8.802 -0.089 18087 6774 1 14 . 1 1 41 41 LEU N N 41 118.018 118.018 121.052 -3.034 18087 6775 1 14 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.778 0.354 18087 6776 1 14 . 1 1 41 41 LEU C C 41 176.993 176.993 176.937 0.056 18087 6777 1 14 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.439 -0.620 18087 6778 1 14 . 1 1 41 41 LEU CB C 41 41.962 41.962 41.147 0.815 18087 6779 1 14 . 1 1 41 41 LEU H H 41 8.243 8.243 8.117 0.126 18087 6780 1 14 . 1 1 42 42 SER N N 42 114.483 114.483 117.446 -2.963 18087 6781 1 14 . 1 1 42 42 SER HA H 42 3.950 3.950 4.300 -0.350 18087 6782 1 14 . 1 1 42 42 SER C C 42 176.651 176.651 176.803 -0.152 18087 6783 1 14 . 1 1 42 42 SER CA C 42 62.225 62.225 62.212 0.013 18087 6784 1 14 . 1 1 42 42 SER CB C 42 62.675 62.675 62.969 -0.294 18087 6785 1 14 . 1 1 42 42 SER H H 42 7.019 7.019 7.701 -0.682 18087 6786 1 14 . 1 1 43 43 GLY N N 43 109.381 109.381 109.671 -0.290 18087 6787 1 14 . 1 1 43 43 GLY C C 43 176.476 176.476 175.868 0.608 18087 6788 1 14 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.964 0.055 18087 6789 1 14 . 1 1 43 43 GLY H H 43 8.666 8.666 8.762 -0.096 18087 6790 1 14 . 1 1 44 44 PHE N N 44 124.390 124.390 121.943 2.447 18087 6791 1 14 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.800 -0.473 18087 6792 1 14 . 1 1 44 44 PHE C C 44 176.516 176.516 178.078 -1.562 18087 6793 1 14 . 1 1 44 44 PHE CA C 44 60.094 60.094 60.748 -0.654 18087 6794 1 14 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.855 0.369 18087 6795 1 14 . 1 1 44 44 PHE H H 44 8.226 8.226 7.863 0.363 18087 6796 1 14 . 1 1 45 45 LEU N N 45 117.156 117.156 121.347 -4.191 18087 6797 1 14 . 1 1 45 45 LEU HA H 45 3.418 3.418 3.976 -0.558 18087 6798 1 14 . 1 1 45 45 LEU C C 45 179.673 179.673 177.972 1.701 18087 6799 1 14 . 1 1 45 45 LEU CA C 45 57.522 57.522 58.261 -0.740 18087 6800 1 14 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.555 -0.941 18087 6801 1 14 . 1 1 45 45 LEU H H 45 8.627 8.627 9.031 -0.404 18087 6802 1 14 . 1 1 46 46 ASP N N 46 117.663 117.663 118.852 -1.189 18087 6803 1 14 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.384 -0.039 18087 6804 1 14 . 1 1 46 46 ASP C C 46 177.844 177.844 179.288 -1.444 18087 6805 1 14 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.374 -0.591 18087 6806 1 14 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.419 0.711 18087 6807 1 14 . 1 1 46 46 ASP H H 46 7.933 7.933 8.872 -0.939 18087 6808 1 14 . 1 1 47 47 ALA N N 47 119.795 119.795 122.346 -2.551 18087 6809 1 14 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.047 0.156 18087 6810 1 14 . 1 1 47 47 ALA C C 47 179.300 179.300 178.510 0.790 18087 6811 1 14 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.713 -1.351 18087 6812 1 14 . 1 1 47 47 ALA CB C 47 19.011 19.011 18.886 0.125 18087 6813 1 14 . 1 1 47 47 ALA H H 47 7.380 7.380 8.340 -0.960 18087 6814 1 14 . 1 1 48 48 GLN N N 48 115.955 115.955 115.497 0.458 18087 6815 1 14 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.506 -0.236 18087 6816 1 14 . 1 1 48 48 GLN C C 48 175.355 175.355 176.276 -0.921 18087 6817 1 14 . 1 1 48 48 GLN CA C 48 54.026 54.026 54.867 -0.841 18087 6818 1 14 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.243 1.317 18087 6819 1 14 . 1 1 48 48 GLN H H 48 7.369 7.369 7.779 -0.410 18087 6820 1 14 . 1 1 49 49 LYS N N 49 119.402 119.402 121.768 -2.366 18087 6821 1 14 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.157 -0.141 18087 6822 1 14 . 1 1 49 49 LYS C C 49 176.255 176.255 176.799 -0.544 18087 6823 1 14 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.201 -1.017 18087 6824 1 14 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.354 -0.251 18087 6825 1 14 . 1 1 49 49 LYS H H 49 7.152 7.152 7.561 -0.409 18087 6826 1 14 . 1 1 50 50 ASP N N 50 117.172 117.172 116.130 1.042 18087 6827 1 14 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.704 -0.109 18087 6828 1 14 . 1 1 50 50 ASP C C 50 175.916 175.916 175.550 0.366 18087 6829 1 14 . 1 1 50 50 ASP CA C 50 54.217 54.217 54.099 0.118 18087 6830 1 14 . 1 1 50 50 ASP CB C 50 40.309 40.309 41.230 -0.921 18087 6831 1 14 . 1 1 50 50 ASP H H 50 8.338 8.338 8.513 -0.175 18087 6832 1 14 . 1 1 51 51 VAL N N 51 121.648 121.648 120.667 0.981 18087 6833 1 14 . 1 1 51 51 VAL HA H 51 3.997 3.997 4.065 -0.068 18087 6834 1 14 . 1 1 51 51 VAL C C 51 177.128 177.128 176.799 0.329 18087 6835 1 14 . 1 1 51 51 VAL CA C 51 62.404 62.404 61.849 0.555 18087 6836 1 14 . 1 1 51 51 VAL CB C 51 31.921 31.921 32.579 -0.658 18087 6837 1 14 . 1 1 51 51 VAL H H 51 7.604 7.604 7.115 0.489 18087 6838 1 14 . 1 1 52 52 ASP N N 52 129.202 129.202 128.781 0.421 18087 6839 1 14 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.233 0.040 18087 6840 1 14 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.525 0.658 18087 6841 1 14 . 1 1 52 52 ASP CB C 52 40.935 40.935 41.066 -0.130 18087 6842 1 14 . 1 1 52 52 ASP H H 52 8.702 8.702 9.043 -0.341 18087 6843 1 14 . 1 1 53 53 ALA N N 53 118.401 118.401 121.410 -3.009 18087 6844 1 14 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.044 -0.032 18087 6845 1 14 . 1 1 53 53 ALA C C 53 179.448 179.448 179.271 0.177 18087 6846 1 14 . 1 1 53 53 ALA CA C 53 55.053 55.053 54.946 0.107 18087 6847 1 14 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.343 1.021 18087 6848 1 14 . 1 1 53 53 ALA H H 53 8.478 8.478 8.243 0.235 18087 6849 1 14 . 1 1 54 54 VAL N N 54 115.050 115.050 118.428 -3.378 18087 6850 1 14 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.763 -0.221 18087 6851 1 14 . 1 1 54 54 VAL C C 54 177.000 177.000 177.209 -0.209 18087 6852 1 14 . 1 1 54 54 VAL CA C 54 65.220 65.220 65.377 -0.157 18087 6853 1 14 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.092 0.967 18087 6854 1 14 . 1 1 54 54 VAL H H 54 6.988 6.988 7.819 -0.831 18087 6855 1 14 . 1 1 55 55 ASP N N 55 120.834 120.834 119.957 0.877 18087 6856 1 14 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.307 -0.029 18087 6857 1 14 . 1 1 55 55 ASP C C 55 178.307 178.307 178.357 -0.050 18087 6858 1 14 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.773 -0.150 18087 6859 1 14 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.755 1.022 18087 6860 1 14 . 1 1 55 55 ASP H H 55 8.157 8.157 7.868 0.289 18087 6861 1 14 . 1 1 56 56 LYS N N 56 115.672 115.672 119.921 -4.249 18087 6862 1 14 . 1 1 56 56 LYS HA H 56 3.888 3.888 3.983 -0.095 18087 6863 1 14 . 1 1 56 56 LYS C C 56 179.372 179.372 179.016 0.356 18087 6864 1 14 . 1 1 56 56 LYS CA C 56 59.608 59.608 59.838 -0.230 18087 6865 1 14 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.533 -0.155 18087 6866 1 14 . 1 1 56 56 LYS H H 56 8.348 8.348 7.450 0.898 18087 6867 1 14 . 1 1 57 57 VAL N N 57 118.238 118.238 120.564 -2.326 18087 6868 1 14 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.663 0.066 18087 6869 1 14 . 1 1 57 57 VAL C C 57 177.541 177.541 178.236 -0.695 18087 6870 1 14 . 1 1 57 57 VAL CA C 57 65.702 65.702 67.055 -1.353 18087 6871 1 14 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.358 0.560 18087 6872 1 14 . 1 1 57 57 VAL H H 57 7.003 7.003 8.236 -1.233 18087 6873 1 14 . 1 1 58 58 MET N N 58 115.998 115.998 118.503 -2.505 18087 6874 1 14 . 1 1 58 58 MET HA H 58 4.313 4.313 4.110 0.203 18087 6875 1 14 . 1 1 58 58 MET C C 58 179.857 179.857 178.679 1.178 18087 6876 1 14 . 1 1 58 58 MET CA C 58 56.717 56.717 58.822 -2.105 18087 6877 1 14 . 1 1 58 58 MET CB C 58 32.366 32.366 31.653 0.713 18087 6878 1 14 . 1 1 58 58 MET H H 58 7.836 7.836 8.503 -0.667 18087 6879 1 14 . 1 1 59 59 LYS N N 59 119.682 119.682 120.989 -1.307 18087 6880 1 14 . 1 1 59 59 LYS HA H 59 4.088 4.088 4.065 0.023 18087 6881 1 14 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.014 0.428 18087 6882 1 14 . 1 1 59 59 LYS CB C 59 32.504 32.504 32.185 0.319 18087 6883 1 14 . 1 1 59 59 LYS H H 59 8.619 8.619 8.695 -0.076 18087 6884 1 14 . 1 1 60 60 GLU N N 60 119.917 119.917 119.633 0.284 18087 6885 1 14 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.063 -0.127 18087 6886 1 14 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.195 0.045 18087 6887 1 14 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.695 0.394 18087 6888 1 14 . 1 1 60 60 GLU H H 60 7.721 7.721 8.764 -1.043 18087 6889 1 14 . 1 1 61 61 LEU N N 61 116.614 116.614 120.877 -4.263 18087 6890 1 14 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.074 -0.051 18087 6891 1 14 . 1 1 61 61 LEU C C 61 175.845 175.845 179.244 -3.399 18087 6892 1 14 . 1 1 61 61 LEU CA C 61 56.515 56.515 57.859 -1.344 18087 6893 1 14 . 1 1 61 61 LEU CB C 61 41.218 41.218 40.899 0.319 18087 6894 1 14 . 1 1 61 61 LEU H H 61 7.429 7.429 8.435 -1.006 18087 6895 1 14 . 1 1 62 62 ASP N N 62 116.147 116.147 118.859 -2.712 18087 6896 1 14 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.436 0.087 18087 6897 1 14 . 1 1 62 62 ASP C C 62 177.790 177.790 179.031 -1.241 18087 6898 1 14 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.001 -1.575 18087 6899 1 14 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.136 1.744 18087 6900 1 14 . 1 1 62 62 ASP H H 62 7.423 7.423 8.152 -0.729 18087 6901 1 14 . 1 1 63 63 GLU N N 63 119.660 119.660 119.038 0.622 18087 6902 1 14 . 1 1 63 63 GLU HA H 63 4.136 4.136 4.105 0.031 18087 6903 1 14 . 1 1 63 63 GLU CA C 63 57.377 57.377 58.650 -1.273 18087 6904 1 14 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.439 0.550 18087 6905 1 14 . 1 1 63 63 GLU H H 63 7.837 7.837 7.796 0.041 18087 6906 1 14 . 1 1 64 64 ASN N N 64 118.376 118.376 117.786 0.590 18087 6907 1 14 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.906 -0.044 18087 6908 1 14 . 1 1 64 64 ASN C C 64 176.216 176.216 175.039 1.177 18087 6909 1 14 . 1 1 64 64 ASN CA C 64 52.688 52.688 52.055 0.633 18087 6910 1 14 . 1 1 64 64 ASN CB C 64 38.185 38.185 39.256 -1.071 18087 6911 1 14 . 1 1 64 64 ASN H H 64 8.012 8.012 8.036 -0.024 18087 6912 1 14 . 1 1 65 65 GLY N N 65 107.248 107.248 107.280 -0.032 18087 6913 1 14 . 1 1 65 65 GLY C C 65 173.971 173.971 174.607 -0.636 18087 6914 1 14 . 1 1 65 65 GLY CA C 65 47.136 47.136 44.645 2.491 18087 6915 1 14 . 1 1 65 65 GLY H H 65 7.989 7.989 8.213 -0.224 18087 6916 1 14 . 1 1 66 66 ASP N N 66 116.989 116.989 120.623 -3.634 18087 6917 1 14 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.425 0.363 18087 6918 1 14 . 1 1 66 66 ASP C C 66 177.289 177.289 176.748 0.541 18087 6919 1 14 . 1 1 66 66 ASP CA C 66 54.166 54.166 55.961 -1.795 18087 6920 1 14 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.096 -0.109 18087 6921 1 14 . 1 1 66 66 ASP H H 66 8.233 8.233 7.963 0.270 18087 6922 1 14 . 1 1 67 67 GLY N N 67 108.642 108.642 105.864 2.778 18087 6923 1 14 . 1 1 67 67 GLY C C 67 172.757 172.757 172.772 -0.015 18087 6924 1 14 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.878 -0.662 18087 6925 1 14 . 1 1 67 67 GLY H H 67 8.274 8.274 8.011 0.263 18087 6926 1 14 . 1 1 68 68 GLU N N 68 118.614 118.614 120.769 -2.155 18087 6927 1 14 . 1 1 68 68 GLU HA H 68 4.955 4.955 5.197 -0.242 18087 6928 1 14 . 1 1 68 68 GLU C C 68 175.881 175.881 175.199 0.682 18087 6929 1 14 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.444 -0.079 18087 6930 1 14 . 1 1 68 68 GLU CB C 68 33.488 33.488 33.432 0.056 18087 6931 1 14 . 1 1 68 68 GLU H H 68 8.404 8.404 7.826 0.578 18087 6932 1 14 . 1 1 69 69 VAL N N 69 117.572 117.572 120.748 -3.176 18087 6933 1 14 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.881 -0.116 18087 6934 1 14 . 1 1 69 69 VAL C C 69 174.820 174.820 173.488 1.332 18087 6935 1 14 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.624 0.327 18087 6936 1 14 . 1 1 69 69 VAL CB C 69 34.352 34.352 35.303 -0.951 18087 6937 1 14 . 1 1 69 69 VAL H H 69 9.167 9.167 9.321 -0.154 18087 6938 1 14 . 1 1 70 70 ASP N N 70 122.616 122.616 126.787 -4.171 18087 6939 1 14 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.054 0.160 18087 6940 1 14 . 1 1 70 70 ASP C C 70 175.822 175.822 176.240 -0.418 18087 6941 1 14 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.982 -1.606 18087 6942 1 14 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.117 -0.924 18087 6943 1 14 . 1 1 70 70 ASP H H 70 8.292 8.292 8.434 -0.142 18087 6944 1 14 . 1 1 71 71 PHE N N 71 119.243 119.243 119.498 -0.255 18087 6945 1 14 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.798 -1.047 18087 6946 1 14 . 1 1 71 71 PHE C C 71 176.387 176.387 177.074 -0.687 18087 6947 1 14 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.570 1.395 18087 6948 1 14 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.294 -0.153 18087 6949 1 14 . 1 1 71 71 PHE H H 71 8.889 8.889 8.618 0.271 18087 6950 1 14 . 1 1 72 72 GLN N N 72 116.655 116.655 117.687 -1.032 18087 6951 1 14 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.772 -0.064 18087 6952 1 14 . 1 1 72 72 GLN C C 72 177.102 177.102 178.397 -1.295 18087 6953 1 14 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.280 -0.005 18087 6954 1 14 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.590 -0.423 18087 6955 1 14 . 1 1 72 72 GLN H H 72 8.021 8.021 9.146 -1.125 18087 6956 1 14 . 1 1 73 73 GLU N N 73 119.195 119.195 119.989 -0.794 18087 6957 1 14 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.005 0.488 18087 6958 1 14 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.241 -4.062 18087 6959 1 14 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.688 2.126 18087 6960 1 14 . 1 1 73 73 GLU H H 73 8.066 8.066 8.916 -0.850 18087 6961 1 14 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.165 -0.079 18087 6962 1 14 . 1 1 74 74 TYR CA C 74 60.497 60.497 60.854 -0.357 18087 6963 1 14 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.665 -0.839 18087 6964 1 14 . 1 1 75 75 VAL N N 75 120.072 120.072 115.969 4.103 18087 6965 1 14 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.045 -0.062 18087 6966 1 14 . 1 1 75 75 VAL C C 75 177.295 177.295 177.176 0.119 18087 6967 1 14 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.855 -0.163 18087 6968 1 14 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.915 -0.296 18087 6969 1 14 . 1 1 75 75 VAL H H 75 8.291 8.291 8.190 0.101 18087 6970 1 14 . 1 1 76 76 VAL N N 76 121.367 121.367 121.478 -0.111 18087 6971 1 14 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.623 -0.103 18087 6972 1 14 . 1 1 76 76 VAL C C 76 178.847 178.847 177.667 1.180 18087 6973 1 14 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.672 0.881 18087 6974 1 14 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.037 0.351 18087 6975 1 14 . 1 1 76 76 VAL H H 76 7.571 7.571 7.696 -0.125 18087 6976 1 14 . 1 1 77 77 LEU N N 77 123.054 123.054 120.840 2.214 18087 6977 1 14 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.969 0.160 18087 6978 1 14 . 1 1 77 77 LEU C C 77 179.065 179.065 178.179 0.886 18087 6979 1 14 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.254 0.238 18087 6980 1 14 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.737 -0.441 18087 6981 1 14 . 1 1 77 77 LEU H H 77 7.360 7.360 7.672 -0.312 18087 6982 1 14 . 1 1 78 78 VAL N N 78 119.163 119.163 115.961 3.202 18087 6983 1 14 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.524 -0.251 18087 6984 1 14 . 1 1 78 78 VAL C C 78 180.217 180.217 177.915 2.302 18087 6985 1 14 . 1 1 78 78 VAL CA C 78 67.270 67.270 66.089 1.181 18087 6986 1 14 . 1 1 78 78 VAL CB C 78 31.181 31.181 30.552 0.629 18087 6987 1 14 . 1 1 78 78 VAL H H 78 8.192 8.192 7.436 0.756 18087 6988 1 14 . 1 1 79 79 ALA N N 79 125.884 125.884 123.870 2.014 18087 6989 1 14 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.883 -0.086 18087 6990 1 14 . 1 1 79 79 ALA C C 79 178.708 178.708 178.939 -0.231 18087 6991 1 14 . 1 1 79 79 ALA CA C 79 55.891 55.891 54.956 0.935 18087 6992 1 14 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.994 -0.631 18087 6993 1 14 . 1 1 79 79 ALA H H 79 9.067 9.067 8.610 0.457 18087 6994 1 14 . 1 1 80 80 ALA N N 80 121.108 121.108 121.969 -0.861 18087 6995 1 14 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.950 0.174 18087 6996 1 14 . 1 1 80 80 ALA C C 80 182.175 182.175 179.618 2.557 18087 6997 1 14 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.201 0.222 18087 6998 1 14 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.035 -0.365 18087 6999 1 14 . 1 1 80 80 ALA H H 80 7.776 7.776 8.661 -0.885 18087 7000 1 14 . 1 1 81 81 LEU N N 81 118.519 118.519 118.569 -0.050 18087 7001 1 14 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.964 0.154 18087 7002 1 14 . 1 1 81 81 LEU C C 81 177.959 177.959 179.487 -1.528 18087 7003 1 14 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.804 -0.315 18087 7004 1 14 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.602 0.567 18087 7005 1 14 . 1 1 81 81 LEU H H 81 8.097 8.097 7.841 0.256 18087 7006 1 14 . 1 1 82 82 THR N N 82 119.572 119.572 116.537 3.035 18087 7007 1 14 . 1 1 82 82 THR HA H 82 3.777 3.777 3.963 -0.186 18087 7008 1 14 . 1 1 82 82 THR C C 82 176.911 176.911 176.735 0.176 18087 7009 1 14 . 1 1 82 82 THR CA C 82 68.058 68.058 67.166 0.892 18087 7010 1 14 . 1 1 82 82 THR CB C 82 67.402 67.402 68.391 -0.989 18087 7011 1 14 . 1 1 82 82 THR H H 82 8.537 8.537 8.270 0.267 18087 7012 1 14 . 1 1 83 83 VAL N N 83 123.805 123.805 121.463 2.342 18087 7013 1 14 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.610 0.120 18087 7014 1 14 . 1 1 83 83 VAL C C 83 177.787 177.787 177.118 0.669 18087 7015 1 14 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.678 1.716 18087 7016 1 14 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.157 0.534 18087 7017 1 14 . 1 1 83 83 VAL H H 83 8.283 8.283 8.688 -0.405 18087 7018 1 14 . 1 1 84 84 ALA N N 84 121.134 121.134 122.293 -1.159 18087 7019 1 14 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.743 0.493 18087 7020 1 14 . 1 1 84 84 ALA C C 84 180.511 180.511 179.369 1.142 18087 7021 1 14 . 1 1 84 84 ALA CA C 84 55.175 55.175 54.914 0.261 18087 7022 1 14 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.270 -0.843 18087 7023 1 14 . 1 1 84 84 ALA H H 84 7.466 7.466 8.109 -0.643 18087 7024 1 14 . 1 1 85 85 MET N N 85 121.755 121.755 117.417 4.338 18087 7025 1 14 . 1 1 85 85 MET HA H 85 3.796 3.796 4.110 -0.314 18087 7026 1 14 . 1 1 85 85 MET CA C 85 59.656 59.656 58.610 1.046 18087 7027 1 14 . 1 1 85 85 MET CB C 85 33.653 33.653 33.041 0.612 18087 7028 1 14 . 1 1 85 85 MET H H 85 8.549 8.549 8.648 -0.099 18087 7029 1 14 . 1 1 86 86 ASN N N 86 119.410 119.410 118.911 0.499 18087 7030 1 14 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.370 -0.218 18087 7031 1 14 . 1 1 86 86 ASN C C 86 176.834 176.834 176.278 0.556 18087 7032 1 14 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.798 1.264 18087 7033 1 14 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.069 1.861 18087 7034 1 14 . 1 1 86 86 ASN H H 86 8.615 8.615 8.774 -0.159 18087 7035 1 14 . 1 1 87 87 ASN N N 87 117.077 117.077 118.628 -1.551 18087 7036 1 14 . 1 1 87 87 ASN HA H 87 4.446 4.446 3.454 0.992 18087 7037 1 14 . 1 1 87 87 ASN C C 87 176.906 176.906 176.833 0.073 18087 7038 1 14 . 1 1 87 87 ASN CA C 87 55.602 55.602 55.445 0.157 18087 7039 1 14 . 1 1 87 87 ASN CB C 87 37.576 37.576 37.787 -0.211 18087 7040 1 14 . 1 1 87 87 ASN H H 87 8.286 8.286 7.542 0.744 18087 7041 1 14 . 1 1 88 88 PHE N N 88 119.698 119.698 117.717 1.981 18087 7042 1 14 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.093 0.385 18087 7043 1 14 . 1 1 88 88 PHE C C 88 177.057 177.057 177.741 -0.684 18087 7044 1 14 . 1 1 88 88 PHE CA C 88 59.546 59.546 60.756 -1.210 18087 7045 1 14 . 1 1 88 88 PHE CB C 88 39.611 39.611 37.840 1.771 18087 7046 1 14 . 1 1 88 88 PHE H H 88 7.909 7.909 7.440 0.469 18087 7047 1 14 . 1 1 89 89 PHE N N 89 116.219 116.219 120.311 -4.092 18087 7048 1 14 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.440 -0.230 18087 7049 1 14 . 1 1 89 89 PHE C C 89 177.637 177.637 178.125 -0.488 18087 7050 1 14 . 1 1 89 89 PHE CA C 89 58.752 58.752 60.313 -1.561 18087 7051 1 14 . 1 1 89 89 PHE CB C 89 39.781 39.781 38.104 1.677 18087 7052 1 14 . 1 1 89 89 PHE H H 89 8.049 8.049 7.746 0.303 18087 7053 1 14 . 1 1 90 90 TRP N N 90 117.712 117.712 119.239 -1.527 18087 7054 1 14 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.457 0.071 18087 7055 1 14 . 1 1 90 90 TRP C C 90 176.741 176.741 178.846 -2.105 18087 7056 1 14 . 1 1 90 90 TRP CA C 90 58.109 58.109 58.770 -0.661 18087 7057 1 14 . 1 1 90 90 TRP CB C 90 29.720 29.720 28.361 1.359 18087 7058 1 14 . 1 1 90 90 TRP H H 90 8.257 8.257 8.565 -0.308 18087 7059 1 14 . 1 1 91 91 GLU N N 91 120.493 120.493 117.253 3.240 18087 7060 1 14 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.163 0.265 18087 7061 1 14 . 1 1 91 91 GLU C C 91 176.393 176.393 176.679 -0.286 18087 7062 1 14 . 1 1 91 91 GLU CA C 91 57.193 57.193 58.784 -1.591 18087 7063 1 14 . 1 1 91 91 GLU CB C 91 29.850 29.850 30.093 -0.243 18087 7064 1 14 . 1 1 91 91 GLU H H 91 7.988 7.988 8.444 -0.456 18087 7065 1 14 . 1 1 92 92 ASN N N 92 119.006 119.006 118.778 0.228 18087 7066 1 14 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.792 -0.005 18087 7067 1 14 . 1 1 92 92 ASN C C 92 174.284 174.284 173.781 0.503 18087 7068 1 14 . 1 1 92 92 ASN CA C 92 53.198 53.198 53.516 -0.318 18087 7069 1 14 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.204 1.029 18087 7070 1 14 . 1 1 92 92 ASN H H 92 8.203 8.203 8.528 -0.325 18087 7071 1 15 . 1 1 2 2 SER N N 2 117.254 117.254 116.040 1.214 18087 7072 1 15 . 1 1 2 2 SER HA H 2 4.737 4.737 4.533 0.204 18087 7073 1 15 . 1 1 2 2 SER C C 2 175.320 175.320 175.631 -0.311 18087 7074 1 15 . 1 1 2 2 SER CA C 2 57.476 57.476 57.465 0.011 18087 7075 1 15 . 1 1 2 2 SER CB C 2 64.594 64.594 64.414 0.180 18087 7076 1 15 . 1 1 2 2 SER H H 2 8.686 8.686 8.362 0.324 18087 7077 1 15 . 1 1 3 3 GLU N N 3 124.640 124.640 121.462 3.178 18087 7078 1 15 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.044 0.064 18087 7079 1 15 . 1 1 3 3 GLU C C 3 178.972 178.972 178.529 0.443 18087 7080 1 15 . 1 1 3 3 GLU CA C 3 60.375 60.375 59.186 1.189 18087 7081 1 15 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.198 0.546 18087 7082 1 15 . 1 1 3 3 GLU H H 3 9.242 9.242 8.803 0.439 18087 7083 1 15 . 1 1 4 4 LEU N N 4 119.682 119.682 120.886 -1.204 18087 7084 1 15 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.029 -0.077 18087 7085 1 15 . 1 1 4 4 LEU C C 4 178.027 178.027 178.663 -0.636 18087 7086 1 15 . 1 1 4 4 LEU CA C 4 58.179 58.179 57.943 0.236 18087 7087 1 15 . 1 1 4 4 LEU CB C 4 42.308 42.308 41.223 1.085 18087 7088 1 15 . 1 1 4 4 LEU H H 4 8.952 8.952 8.152 0.800 18087 7089 1 15 . 1 1 5 5 GLU N N 5 118.542 118.542 118.237 0.305 18087 7090 1 15 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.002 -0.210 18087 7091 1 15 . 1 1 5 5 GLU C C 5 178.389 178.389 179.098 -0.709 18087 7092 1 15 . 1 1 5 5 GLU CA C 5 60.051 60.051 59.817 0.234 18087 7093 1 15 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.464 0.519 18087 7094 1 15 . 1 1 5 5 GLU H H 5 7.968 7.968 8.364 -0.396 18087 7095 1 15 . 1 1 6 6 THR N N 6 114.278 114.278 116.823 -2.545 18087 7096 1 15 . 1 1 6 6 THR HA H 6 4.015 4.015 4.037 -0.022 18087 7097 1 15 . 1 1 6 6 THR C C 6 176.990 176.990 176.749 0.241 18087 7098 1 15 . 1 1 6 6 THR CA C 6 66.450 66.450 66.755 -0.305 18087 7099 1 15 . 1 1 6 6 THR CB C 6 68.637 68.637 68.549 0.088 18087 7100 1 15 . 1 1 6 6 THR H H 6 8.177 8.177 7.498 0.679 18087 7101 1 15 . 1 1 7 7 ALA N N 7 126.659 126.659 126.202 0.457 18087 7102 1 15 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.054 0.109 18087 7103 1 15 . 1 1 7 7 ALA C C 7 179.338 179.338 179.750 -0.412 18087 7104 1 15 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.347 0.468 18087 7105 1 15 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.264 -0.080 18087 7106 1 15 . 1 1 7 7 ALA H H 7 8.166 8.166 8.954 -0.788 18087 7107 1 15 . 1 1 8 8 MET N N 8 117.727 117.727 117.235 0.492 18087 7108 1 15 . 1 1 8 8 MET HA H 8 3.731 3.731 4.315 -0.584 18087 7109 1 15 . 1 1 8 8 MET C C 8 178.071 178.071 179.086 -1.015 18087 7110 1 15 . 1 1 8 8 MET CA C 8 60.447 60.447 57.146 3.301 18087 7111 1 15 . 1 1 8 8 MET CB C 8 34.928 34.928 31.464 3.464 18087 7112 1 15 . 1 1 8 8 MET H H 8 8.090 8.090 8.628 -0.538 18087 7113 1 15 . 1 1 9 9 GLU N N 9 117.303 117.303 120.457 -3.154 18087 7114 1 15 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.982 -0.075 18087 7115 1 15 . 1 1 9 9 GLU C C 9 179.261 179.261 178.986 0.275 18087 7116 1 15 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.727 0.303 18087 7117 1 15 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.466 0.033 18087 7118 1 15 . 1 1 9 9 GLU H H 9 8.603 8.603 8.955 -0.352 18087 7119 1 15 . 1 1 10 10 THR N N 10 117.583 117.583 118.009 -0.426 18087 7120 1 15 . 1 1 10 10 THR HA H 10 4.088 4.088 4.070 0.018 18087 7121 1 15 . 1 1 10 10 THR C C 10 175.758 175.758 176.663 -0.905 18087 7122 1 15 . 1 1 10 10 THR CA C 10 67.439 67.439 67.483 -0.044 18087 7123 1 15 . 1 1 10 10 THR CB C 10 68.014 68.014 68.494 -0.480 18087 7124 1 15 . 1 1 10 10 THR H H 10 8.483 8.483 8.644 -0.161 18087 7125 1 15 . 1 1 11 11 LEU N N 11 119.623 119.623 122.163 -2.540 18087 7126 1 15 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.370 -0.400 18087 7127 1 15 . 1 1 11 11 LEU C C 11 178.935 178.935 179.407 -0.472 18087 7128 1 15 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.324 0.851 18087 7129 1 15 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.790 0.071 18087 7130 1 15 . 1 1 11 11 LEU H H 11 8.013 8.013 7.939 0.074 18087 7131 1 15 . 1 1 12 12 ILE N N 12 119.751 119.751 120.312 -0.561 18087 7132 1 15 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.632 0.361 18087 7133 1 15 . 1 1 12 12 ILE C C 12 177.717 177.717 178.248 -0.531 18087 7134 1 15 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.350 1.398 18087 7135 1 15 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.406 2.860 18087 7136 1 15 . 1 1 12 12 ILE H H 12 7.708 7.708 8.667 -0.959 18087 7137 1 15 . 1 1 13 13 ASN N N 13 121.260 121.260 119.434 1.826 18087 7138 1 15 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.549 0.018 18087 7139 1 15 . 1 1 13 13 ASN C C 13 178.941 178.941 178.270 0.671 18087 7140 1 15 . 1 1 13 13 ASN CA C 13 56.339 56.339 57.387 -1.048 18087 7141 1 15 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.618 -0.524 18087 7142 1 15 . 1 1 13 13 ASN H H 13 9.125 9.125 8.846 0.279 18087 7143 1 15 . 1 1 14 14 VAL N N 14 120.868 120.868 120.716 0.152 18087 7144 1 15 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.673 0.194 18087 7145 1 15 . 1 1 14 14 VAL C C 14 177.827 177.827 177.666 0.161 18087 7146 1 15 . 1 1 14 14 VAL CA C 14 66.715 66.715 67.108 -0.393 18087 7147 1 15 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.950 -0.048 18087 7148 1 15 . 1 1 14 14 VAL H H 14 8.965 8.965 8.132 0.833 18087 7149 1 15 . 1 1 15 15 PHE N N 15 117.672 117.672 120.796 -3.124 18087 7150 1 15 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.817 -0.371 18087 7151 1 15 . 1 1 15 15 PHE C C 15 177.713 177.713 177.845 -0.132 18087 7152 1 15 . 1 1 15 15 PHE CA C 15 62.441 62.441 61.968 0.473 18087 7153 1 15 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.094 0.087 18087 7154 1 15 . 1 1 15 15 PHE H H 15 6.968 6.968 8.625 -1.657 18087 7155 1 15 . 1 1 16 16 HIS N N 16 115.122 115.122 119.587 -4.465 18087 7156 1 15 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.170 0.199 18087 7157 1 15 . 1 1 16 16 HIS C C 16 176.987 176.987 177.508 -0.521 18087 7158 1 15 . 1 1 16 16 HIS CA C 16 58.413 58.413 60.789 -2.376 18087 7159 1 15 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.836 -1.576 18087 7160 1 15 . 1 1 16 16 HIS H H 16 8.020 8.020 9.128 -1.108 18087 7161 1 15 . 1 1 17 17 ALA N N 17 122.533 122.533 121.820 0.713 18087 7162 1 15 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.947 0.170 18087 7163 1 15 . 1 1 17 17 ALA CA C 17 54.064 54.064 54.999 -0.935 18087 7164 1 15 . 1 1 17 17 ALA CB C 17 17.908 17.908 18.079 -0.171 18087 7165 1 15 . 1 1 17 17 ALA H H 17 8.282 8.282 8.631 -0.349 18087 7166 1 15 . 1 1 18 18 HIS N N 18 113.127 113.127 115.336 -2.209 18087 7167 1 15 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.382 0.026 18087 7168 1 15 . 1 1 18 18 HIS CA C 18 57.248 57.248 58.635 -1.387 18087 7169 1 15 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.892 1.370 18087 7170 1 15 . 1 1 18 18 HIS H H 18 7.124 7.124 8.160 -1.036 18087 7171 1 15 . 1 1 19 19 SER HA H 19 3.963 3.963 4.133 -0.170 18087 7172 1 15 . 1 1 19 19 SER CA C 19 59.969 59.969 61.810 -1.841 18087 7173 1 15 . 1 1 19 19 SER CB C 19 62.416 62.416 62.550 -0.134 18087 7174 1 15 . 1 1 20 20 GLY N N 20 107.243 107.243 108.392 -1.149 18087 7175 1 15 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.284 -0.170 18087 7176 1 15 . 1 1 20 20 GLY H H 20 7.915 7.915 7.935 -0.020 18087 7177 1 15 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.069 -0.112 18087 7178 1 15 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.518 -0.473 18087 7179 1 15 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.682 -0.745 18087 7180 1 15 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.365 -0.323 18087 7181 1 15 . 1 1 22 22 GLU CA C 22 58.755 58.755 55.967 2.788 18087 7182 1 15 . 1 1 22 22 GLU CB C 22 30.184 30.184 30.173 0.011 18087 7183 1 15 . 1 1 23 23 GLY N N 23 111.113 111.113 109.455 1.658 18087 7184 1 15 . 1 1 23 23 GLY CA C 23 46.790 46.790 44.512 2.278 18087 7185 1 15 . 1 1 23 23 GLY H H 23 8.435 8.435 7.900 0.535 18087 7186 1 15 . 1 1 24 24 ASP N N 24 123.994 123.994 118.777 5.217 18087 7187 1 15 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.381 0.115 18087 7188 1 15 . 1 1 24 24 ASP CA C 24 54.286 54.286 54.128 0.158 18087 7189 1 15 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.007 -0.005 18087 7190 1 15 . 1 1 24 24 ASP H H 24 8.501 8.501 8.075 0.426 18087 7191 1 15 . 1 1 25 25 LYS HA H 25 4.442 4.442 3.981 0.461 18087 7192 1 15 . 1 1 25 25 LYS CA C 25 56.523 56.523 58.469 -1.946 18087 7193 1 15 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.311 0.960 18087 7194 1 15 . 1 1 26 26 TYR N N 26 119.967 119.967 115.997 3.970 18087 7195 1 15 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.685 0.107 18087 7196 1 15 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.509 0.510 18087 7197 1 15 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.894 -0.463 18087 7198 1 15 . 1 1 26 26 TYR H H 26 8.712 8.712 7.053 1.659 18087 7199 1 15 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.863 0.436 18087 7200 1 15 . 1 1 27 27 LYS C C 27 174.308 174.308 173.274 1.034 18087 7201 1 15 . 1 1 27 27 LYS CA C 27 54.365 54.365 55.025 -0.660 18087 7202 1 15 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.742 -0.347 18087 7203 1 15 . 1 1 28 28 LEU N N 28 121.194 121.194 122.196 -1.002 18087 7204 1 15 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.572 0.148 18087 7205 1 15 . 1 1 28 28 LEU C C 28 178.895 178.895 174.615 4.280 18087 7206 1 15 . 1 1 28 28 LEU CA C 28 52.968 52.968 53.077 -0.109 18087 7207 1 15 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.298 0.913 18087 7208 1 15 . 1 1 28 28 LEU H H 28 8.632 8.632 8.446 0.186 18087 7209 1 15 . 1 1 29 29 SER N N 29 119.705 119.705 122.281 -2.576 18087 7210 1 15 . 1 1 29 29 SER HA H 29 4.987 4.987 4.725 0.262 18087 7211 1 15 . 1 1 29 29 SER C C 29 175.742 175.742 175.294 0.448 18087 7212 1 15 . 1 1 29 29 SER CA C 29 57.873 57.873 58.067 -0.194 18087 7213 1 15 . 1 1 29 29 SER CB C 29 64.531 64.531 64.345 0.186 18087 7214 1 15 . 1 1 29 29 SER H H 29 8.901 8.901 9.417 -0.516 18087 7215 1 15 . 1 1 30 30 LYS N N 30 124.208 124.208 122.741 1.467 18087 7216 1 15 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.086 -0.272 18087 7217 1 15 . 1 1 30 30 LYS C C 30 178.469 178.469 178.455 0.014 18087 7218 1 15 . 1 1 30 30 LYS CA C 30 61.433 61.433 58.093 3.340 18087 7219 1 15 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.674 0.596 18087 7220 1 15 . 1 1 30 30 LYS H H 30 8.836 8.836 8.166 0.670 18087 7221 1 15 . 1 1 31 31 LYS N N 31 119.570 119.570 121.088 -1.518 18087 7222 1 15 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.044 0.002 18087 7223 1 15 . 1 1 31 31 LYS C C 31 179.409 179.409 179.209 0.200 18087 7224 1 15 . 1 1 31 31 LYS CA C 31 59.223 59.223 59.927 -0.704 18087 7225 1 15 . 1 1 31 31 LYS CB C 31 32.386 32.386 31.996 0.390 18087 7226 1 15 . 1 1 31 31 LYS H H 31 8.597 8.597 8.148 0.449 18087 7227 1 15 . 1 1 32 32 GLU N N 32 119.551 119.551 118.722 0.829 18087 7228 1 15 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.240 -0.194 18087 7229 1 15 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.087 0.911 18087 7230 1 15 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.789 -1.319 18087 7231 1 15 . 1 1 32 32 GLU H H 32 7.442 7.442 8.234 -0.792 18087 7232 1 15 . 1 1 33 33 LEU N N 33 121.725 121.725 121.928 -0.203 18087 7233 1 15 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.903 0.165 18087 7234 1 15 . 1 1 33 33 LEU C C 33 177.279 177.279 178.283 -1.004 18087 7235 1 15 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.391 -0.995 18087 7236 1 15 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.521 -0.936 18087 7237 1 15 . 1 1 33 33 LEU H H 33 8.579 8.579 7.971 0.608 18087 7238 1 15 . 1 1 34 34 LYS N N 34 120.543 120.543 118.288 2.255 18087 7239 1 15 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.930 -0.294 18087 7240 1 15 . 1 1 34 34 LYS C C 34 177.868 177.868 178.865 -0.997 18087 7241 1 15 . 1 1 34 34 LYS CA C 34 60.704 60.704 60.091 0.613 18087 7242 1 15 . 1 1 34 34 LYS CB C 34 31.870 31.870 32.081 -0.211 18087 7243 1 15 . 1 1 34 34 LYS H H 34 8.618 8.618 7.790 0.828 18087 7244 1 15 . 1 1 35 35 GLU N N 35 117.340 117.340 119.470 -2.130 18087 7245 1 15 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.074 -0.067 18087 7246 1 15 . 1 1 35 35 GLU C C 35 179.008 179.008 178.991 0.017 18087 7247 1 15 . 1 1 35 35 GLU CA C 35 59.366 59.366 58.868 0.498 18087 7248 1 15 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.482 -0.287 18087 7249 1 15 . 1 1 35 35 GLU H H 35 7.713 7.713 7.473 0.240 18087 7250 1 15 . 1 1 36 36 LEU N N 36 122.745 122.745 122.625 0.120 18087 7251 1 15 . 1 1 36 36 LEU HA H 36 4.013 4.013 3.936 0.077 18087 7252 1 15 . 1 1 36 36 LEU C C 36 178.646 178.646 178.617 0.029 18087 7253 1 15 . 1 1 36 36 LEU CA C 36 58.376 58.376 57.719 0.657 18087 7254 1 15 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.367 0.521 18087 7255 1 15 . 1 1 36 36 LEU H H 36 8.150 8.150 8.620 -0.470 18087 7256 1 15 . 1 1 37 37 LEU N N 37 118.881 118.881 118.937 -0.056 18087 7257 1 15 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.025 -0.277 18087 7258 1 15 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.404 -0.043 18087 7259 1 15 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.204 0.209 18087 7260 1 15 . 1 1 37 37 LEU H H 37 8.495 8.495 8.797 -0.302 18087 7261 1 15 . 1 1 38 38 GLN N N 38 115.311 115.311 117.180 -1.869 18087 7262 1 15 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.019 -0.230 18087 7263 1 15 . 1 1 38 38 GLN C C 38 177.826 177.826 178.058 -0.232 18087 7264 1 15 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.582 0.278 18087 7265 1 15 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.071 0.250 18087 7266 1 15 . 1 1 38 38 GLN H H 38 8.348 8.348 7.677 0.671 18087 7267 1 15 . 1 1 39 39 THR N N 39 112.151 112.151 114.610 -2.459 18087 7268 1 15 . 1 1 39 39 THR HA H 39 4.186 4.186 4.059 0.127 18087 7269 1 15 . 1 1 39 39 THR C C 39 177.166 177.166 177.026 0.140 18087 7270 1 15 . 1 1 39 39 THR CA C 39 65.284 65.284 66.471 -1.187 18087 7271 1 15 . 1 1 39 39 THR CB C 39 69.179 69.179 68.883 0.296 18087 7272 1 15 . 1 1 39 39 THR H H 39 7.872 7.872 8.019 -0.147 18087 7273 1 15 . 1 1 40 40 GLU N N 40 119.602 119.602 120.777 -1.175 18087 7274 1 15 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.291 0.075 18087 7275 1 15 . 1 1 40 40 GLU C C 40 178.228 178.228 178.476 -0.248 18087 7276 1 15 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.251 0.372 18087 7277 1 15 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.669 1.265 18087 7278 1 15 . 1 1 40 40 GLU H H 40 8.713 8.713 8.163 0.550 18087 7279 1 15 . 1 1 41 41 LEU N N 41 118.018 118.018 120.876 -2.858 18087 7280 1 15 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.753 0.379 18087 7281 1 15 . 1 1 41 41 LEU C C 41 176.993 176.993 177.101 -0.108 18087 7282 1 15 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.588 -0.769 18087 7283 1 15 . 1 1 41 41 LEU CB C 41 41.962 41.962 40.999 0.963 18087 7284 1 15 . 1 1 41 41 LEU H H 41 8.243 8.243 7.810 0.433 18087 7285 1 15 . 1 1 42 42 SER N N 42 114.483 114.483 117.358 -2.875 18087 7286 1 15 . 1 1 42 42 SER HA H 42 3.950 3.950 4.354 -0.404 18087 7287 1 15 . 1 1 42 42 SER C C 42 176.651 176.651 176.897 -0.246 18087 7288 1 15 . 1 1 42 42 SER CA C 42 62.225 62.225 62.294 -0.069 18087 7289 1 15 . 1 1 42 42 SER CB C 42 62.675 62.675 62.898 -0.223 18087 7290 1 15 . 1 1 42 42 SER H H 42 7.019 7.019 7.595 -0.576 18087 7291 1 15 . 1 1 43 43 GLY N N 43 109.381 109.381 109.321 0.060 18087 7292 1 15 . 1 1 43 43 GLY C C 43 176.476 176.476 175.808 0.668 18087 7293 1 15 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.936 0.083 18087 7294 1 15 . 1 1 43 43 GLY H H 43 8.666 8.666 8.820 -0.154 18087 7295 1 15 . 1 1 44 44 PHE N N 44 124.390 124.390 121.788 2.602 18087 7296 1 15 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.825 -0.498 18087 7297 1 15 . 1 1 44 44 PHE C C 44 176.516 176.516 178.057 -1.541 18087 7298 1 15 . 1 1 44 44 PHE CA C 44 60.094 60.094 60.456 -0.362 18087 7299 1 15 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.946 0.278 18087 7300 1 15 . 1 1 44 44 PHE H H 44 8.226 8.226 7.888 0.338 18087 7301 1 15 . 1 1 45 45 LEU N N 45 117.156 117.156 120.082 -2.926 18087 7302 1 15 . 1 1 45 45 LEU HA H 45 3.418 3.418 4.057 -0.639 18087 7303 1 15 . 1 1 45 45 LEU C C 45 179.673 179.673 178.193 1.480 18087 7304 1 15 . 1 1 45 45 LEU CA C 45 57.522 57.522 57.780 -0.258 18087 7305 1 15 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.664 -1.050 18087 7306 1 15 . 1 1 45 45 LEU H H 45 8.627 8.627 8.898 -0.271 18087 7307 1 15 . 1 1 46 46 ASP N N 46 117.663 117.663 118.854 -1.191 18087 7308 1 15 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.390 -0.045 18087 7309 1 15 . 1 1 46 46 ASP C C 46 177.844 177.844 178.605 -0.761 18087 7310 1 15 . 1 1 46 46 ASP CA C 46 56.784 56.784 56.897 -0.113 18087 7311 1 15 . 1 1 46 46 ASP CB C 46 41.130 41.130 41.288 -0.158 18087 7312 1 15 . 1 1 46 46 ASP H H 46 7.933 7.933 8.437 -0.504 18087 7313 1 15 . 1 1 47 47 ALA N N 47 119.795 119.795 121.687 -1.892 18087 7314 1 15 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.063 0.140 18087 7315 1 15 . 1 1 47 47 ALA C C 47 179.300 179.300 178.496 0.804 18087 7316 1 15 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.434 -1.072 18087 7317 1 15 . 1 1 47 47 ALA CB C 47 19.011 19.011 19.047 -0.036 18087 7318 1 15 . 1 1 47 47 ALA H H 47 7.380 7.380 7.886 -0.506 18087 7319 1 15 . 1 1 48 48 GLN N N 48 115.955 115.955 113.947 2.008 18087 7320 1 15 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.528 -0.258 18087 7321 1 15 . 1 1 48 48 GLN C C 48 175.355 175.355 176.119 -0.764 18087 7322 1 15 . 1 1 48 48 GLN CA C 48 54.026 54.026 54.391 -0.365 18087 7323 1 15 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.296 1.264 18087 7324 1 15 . 1 1 48 48 GLN H H 48 7.369 7.369 7.698 -0.329 18087 7325 1 15 . 1 1 49 49 LYS N N 49 119.402 119.402 121.502 -2.100 18087 7326 1 15 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.014 0.002 18087 7327 1 15 . 1 1 49 49 LYS C C 49 176.255 176.255 176.785 -0.530 18087 7328 1 15 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.844 -1.660 18087 7329 1 15 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.320 -0.217 18087 7330 1 15 . 1 1 49 49 LYS H H 49 7.152 7.152 7.585 -0.433 18087 7331 1 15 . 1 1 50 50 ASP N N 50 117.172 117.172 115.564 1.608 18087 7332 1 15 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.605 -0.010 18087 7333 1 15 . 1 1 50 50 ASP C C 50 175.916 175.916 175.877 0.039 18087 7334 1 15 . 1 1 50 50 ASP CA C 50 54.217 54.217 54.372 -0.155 18087 7335 1 15 . 1 1 50 50 ASP CB C 50 40.309 40.309 40.842 -0.533 18087 7336 1 15 . 1 1 50 50 ASP H H 50 8.338 8.338 8.380 -0.042 18087 7337 1 15 . 1 1 51 51 VAL N N 51 121.648 121.648 120.573 1.075 18087 7338 1 15 . 1 1 51 51 VAL HA H 51 3.997 3.997 4.046 -0.049 18087 7339 1 15 . 1 1 51 51 VAL C C 51 177.128 177.128 176.627 0.501 18087 7340 1 15 . 1 1 51 51 VAL CA C 51 62.404 62.404 62.180 0.224 18087 7341 1 15 . 1 1 51 51 VAL CB C 51 31.921 31.921 32.469 -0.548 18087 7342 1 15 . 1 1 51 51 VAL H H 51 7.604 7.604 7.222 0.382 18087 7343 1 15 . 1 1 52 52 ASP N N 52 129.202 129.202 127.194 2.008 18087 7344 1 15 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.309 -0.036 18087 7345 1 15 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.627 0.556 18087 7346 1 15 . 1 1 52 52 ASP CB C 52 40.935 40.935 41.068 -0.133 18087 7347 1 15 . 1 1 52 52 ASP H H 52 8.702 8.702 9.043 -0.341 18087 7348 1 15 . 1 1 53 53 ALA N N 53 118.401 118.401 123.436 -5.035 18087 7349 1 15 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.062 -0.050 18087 7350 1 15 . 1 1 53 53 ALA C C 53 179.448 179.448 178.947 0.501 18087 7351 1 15 . 1 1 53 53 ALA CA C 53 55.053 55.053 55.127 -0.074 18087 7352 1 15 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.311 1.053 18087 7353 1 15 . 1 1 53 53 ALA H H 53 8.478 8.478 8.450 0.028 18087 7354 1 15 . 1 1 54 54 VAL N N 54 115.050 115.050 118.667 -3.617 18087 7355 1 15 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.633 -0.091 18087 7356 1 15 . 1 1 54 54 VAL C C 54 177.000 177.000 176.923 0.077 18087 7357 1 15 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.267 -1.047 18087 7358 1 15 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.568 0.491 18087 7359 1 15 . 1 1 54 54 VAL H H 54 6.988 6.988 7.598 -0.610 18087 7360 1 15 . 1 1 55 55 ASP N N 55 120.834 120.834 118.503 2.331 18087 7361 1 15 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.312 -0.034 18087 7362 1 15 . 1 1 55 55 ASP C C 55 178.307 178.307 178.251 0.056 18087 7363 1 15 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.644 -0.021 18087 7364 1 15 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.737 1.040 18087 7365 1 15 . 1 1 55 55 ASP H H 55 8.157 8.157 8.375 -0.218 18087 7366 1 15 . 1 1 56 56 LYS N N 56 115.672 115.672 119.855 -4.183 18087 7367 1 15 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.008 -0.120 18087 7368 1 15 . 1 1 56 56 LYS C C 56 179.372 179.372 179.228 0.144 18087 7369 1 15 . 1 1 56 56 LYS CA C 56 59.608 59.608 59.486 0.122 18087 7370 1 15 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.562 -0.184 18087 7371 1 15 . 1 1 56 56 LYS H H 56 8.348 8.348 7.386 0.962 18087 7372 1 15 . 1 1 57 57 VAL N N 57 118.238 118.238 120.416 -2.178 18087 7373 1 15 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.648 0.081 18087 7374 1 15 . 1 1 57 57 VAL C C 57 177.541 177.541 177.903 -0.362 18087 7375 1 15 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.344 -0.642 18087 7376 1 15 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.417 0.501 18087 7377 1 15 . 1 1 57 57 VAL H H 57 7.003 7.003 8.714 -1.711 18087 7378 1 15 . 1 1 58 58 MET N N 58 115.998 115.998 118.713 -2.715 18087 7379 1 15 . 1 1 58 58 MET HA H 58 4.313 4.313 4.024 0.288 18087 7380 1 15 . 1 1 58 58 MET C C 58 179.857 179.857 178.101 1.756 18087 7381 1 15 . 1 1 58 58 MET CA C 58 56.717 56.717 59.170 -2.453 18087 7382 1 15 . 1 1 58 58 MET CB C 58 32.366 32.366 32.489 -0.123 18087 7383 1 15 . 1 1 58 58 MET H H 58 7.836 7.836 8.266 -0.430 18087 7384 1 15 . 1 1 59 59 LYS N N 59 119.682 119.682 119.990 -0.308 18087 7385 1 15 . 1 1 59 59 LYS HA H 59 4.088 4.088 4.050 0.038 18087 7386 1 15 . 1 1 59 59 LYS CA C 59 59.442 59.442 58.765 0.677 18087 7387 1 15 . 1 1 59 59 LYS CB C 59 32.504 32.504 31.935 0.569 18087 7388 1 15 . 1 1 59 59 LYS H H 59 8.619 8.619 8.325 0.294 18087 7389 1 15 . 1 1 60 60 GLU N N 60 119.917 119.917 119.629 0.288 18087 7390 1 15 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.166 -0.230 18087 7391 1 15 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.454 -0.214 18087 7392 1 15 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.442 0.647 18087 7393 1 15 . 1 1 60 60 GLU H H 60 7.721 7.721 8.456 -0.735 18087 7394 1 15 . 1 1 61 61 LEU N N 61 116.614 116.614 117.228 -0.614 18087 7395 1 15 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.101 -0.078 18087 7396 1 15 . 1 1 61 61 LEU C C 61 175.845 175.845 179.239 -3.394 18087 7397 1 15 . 1 1 61 61 LEU CA C 61 56.515 56.515 57.958 -1.442 18087 7398 1 15 . 1 1 61 61 LEU CB C 61 41.218 41.218 40.717 0.501 18087 7399 1 15 . 1 1 61 61 LEU H H 61 7.429 7.429 7.358 0.071 18087 7400 1 15 . 1 1 62 62 ASP N N 62 116.147 116.147 118.911 -2.764 18087 7401 1 15 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.712 -0.189 18087 7402 1 15 . 1 1 62 62 ASP C C 62 177.790 177.790 177.728 0.062 18087 7403 1 15 . 1 1 62 62 ASP CA C 62 55.426 55.426 56.553 -1.127 18087 7404 1 15 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.218 1.662 18087 7405 1 15 . 1 1 62 62 ASP H H 62 7.423 7.423 8.082 -0.659 18087 7406 1 15 . 1 1 63 63 GLU N N 63 119.660 119.660 119.239 0.421 18087 7407 1 15 . 1 1 63 63 GLU HA H 63 4.136 4.136 3.988 0.148 18087 7408 1 15 . 1 1 63 63 GLU CA C 63 57.377 57.377 59.002 -1.625 18087 7409 1 15 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.637 0.352 18087 7410 1 15 . 1 1 63 63 GLU H H 63 7.837 7.837 7.633 0.204 18087 7411 1 15 . 1 1 64 64 ASN N N 64 118.376 118.376 117.159 1.217 18087 7412 1 15 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.659 0.203 18087 7413 1 15 . 1 1 64 64 ASN C C 64 176.216 176.216 177.734 -1.518 18087 7414 1 15 . 1 1 64 64 ASN CA C 64 52.688 52.688 54.469 -1.782 18087 7415 1 15 . 1 1 64 64 ASN CB C 64 38.185 38.185 38.927 -0.742 18087 7416 1 15 . 1 1 64 64 ASN H H 64 8.012 8.012 7.634 0.378 18087 7417 1 15 . 1 1 65 65 GLY N N 65 107.248 107.248 108.120 -0.872 18087 7418 1 15 . 1 1 65 65 GLY C C 65 173.971 173.971 174.337 -0.366 18087 7419 1 15 . 1 1 65 65 GLY CA C 65 47.136 47.136 44.766 2.370 18087 7420 1 15 . 1 1 65 65 GLY H H 65 7.989 7.989 8.565 -0.576 18087 7421 1 15 . 1 1 66 66 ASP N N 66 116.989 116.989 122.269 -5.280 18087 7422 1 15 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.667 0.121 18087 7423 1 15 . 1 1 66 66 ASP C C 66 177.289 177.289 176.972 0.317 18087 7424 1 15 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.667 -2.501 18087 7425 1 15 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.301 -0.314 18087 7426 1 15 . 1 1 66 66 ASP H H 66 8.233 8.233 8.645 -0.412 18087 7427 1 15 . 1 1 67 67 GLY N N 67 108.642 108.642 106.376 2.266 18087 7428 1 15 . 1 1 67 67 GLY C C 67 172.757 172.757 173.042 -0.285 18087 7429 1 15 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.201 0.015 18087 7430 1 15 . 1 1 67 67 GLY H H 67 8.274 8.274 8.037 0.237 18087 7431 1 15 . 1 1 68 68 GLU N N 68 118.614 118.614 119.000 -0.386 18087 7432 1 15 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.780 0.175 18087 7433 1 15 . 1 1 68 68 GLU C C 68 175.881 175.881 174.211 1.670 18087 7434 1 15 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.157 0.208 18087 7435 1 15 . 1 1 68 68 GLU CB C 68 33.488 33.488 33.210 0.278 18087 7436 1 15 . 1 1 68 68 GLU H H 68 8.404 8.404 7.671 0.733 18087 7437 1 15 . 1 1 69 69 VAL N N 69 117.572 117.572 119.555 -1.983 18087 7438 1 15 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.970 -0.205 18087 7439 1 15 . 1 1 69 69 VAL C C 69 174.820 174.820 173.756 1.064 18087 7440 1 15 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.395 0.556 18087 7441 1 15 . 1 1 69 69 VAL CB C 69 34.352 34.352 35.196 -0.843 18087 7442 1 15 . 1 1 69 69 VAL H H 69 9.167 9.167 9.131 0.036 18087 7443 1 15 . 1 1 70 70 ASP N N 70 122.616 122.616 126.957 -4.341 18087 7444 1 15 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.045 0.169 18087 7445 1 15 . 1 1 70 70 ASP C C 70 175.822 175.822 176.107 -0.285 18087 7446 1 15 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.576 -1.200 18087 7447 1 15 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.571 -1.379 18087 7448 1 15 . 1 1 70 70 ASP H H 70 8.292 8.292 8.396 -0.104 18087 7449 1 15 . 1 1 71 71 PHE N N 71 119.243 119.243 119.428 -0.185 18087 7450 1 15 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.657 -0.906 18087 7451 1 15 . 1 1 71 71 PHE C C 71 176.387 176.387 176.915 -0.528 18087 7452 1 15 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.676 1.289 18087 7453 1 15 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.223 -0.082 18087 7454 1 15 . 1 1 71 71 PHE H H 71 8.889 8.889 8.391 0.498 18087 7455 1 15 . 1 1 72 72 GLN N N 72 116.655 116.655 117.191 -0.536 18087 7456 1 15 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.770 -0.062 18087 7457 1 15 . 1 1 72 72 GLN C C 72 177.102 177.102 178.503 -1.401 18087 7458 1 15 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.146 0.129 18087 7459 1 15 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.542 -0.375 18087 7460 1 15 . 1 1 72 72 GLN H H 72 8.021 8.021 9.252 -1.231 18087 7461 1 15 . 1 1 73 73 GLU N N 73 119.195 119.195 120.141 -0.946 18087 7462 1 15 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.005 0.488 18087 7463 1 15 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.103 -3.925 18087 7464 1 15 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.717 2.097 18087 7465 1 15 . 1 1 73 73 GLU H H 73 8.066 8.066 8.567 -0.501 18087 7466 1 15 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.101 -0.015 18087 7467 1 15 . 1 1 74 74 TYR CA C 74 60.497 60.497 61.084 -0.587 18087 7468 1 15 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.519 -0.693 18087 7469 1 15 . 1 1 75 75 VAL N N 75 120.072 120.072 116.511 3.561 18087 7470 1 15 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.097 -0.114 18087 7471 1 15 . 1 1 75 75 VAL C C 75 177.295 177.295 177.325 -0.030 18087 7472 1 15 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.967 -0.275 18087 7473 1 15 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.671 -0.053 18087 7474 1 15 . 1 1 75 75 VAL H H 75 8.291 8.291 8.186 0.105 18087 7475 1 15 . 1 1 76 76 VAL N N 76 121.367 121.367 119.747 1.620 18087 7476 1 15 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.528 -0.008 18087 7477 1 15 . 1 1 76 76 VAL C C 76 178.847 178.847 177.219 1.628 18087 7478 1 15 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.876 0.677 18087 7479 1 15 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.526 -0.138 18087 7480 1 15 . 1 1 76 76 VAL H H 76 7.571 7.571 7.189 0.382 18087 7481 1 15 . 1 1 77 77 LEU N N 77 123.054 123.054 121.088 1.966 18087 7482 1 15 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.993 0.136 18087 7483 1 15 . 1 1 77 77 LEU C C 77 179.065 179.065 178.051 1.014 18087 7484 1 15 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.171 0.321 18087 7485 1 15 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.585 -0.289 18087 7486 1 15 . 1 1 77 77 LEU H H 77 7.360 7.360 7.764 -0.404 18087 7487 1 15 . 1 1 78 78 VAL N N 78 119.163 119.163 116.367 2.796 18087 7488 1 15 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.544 -0.271 18087 7489 1 15 . 1 1 78 78 VAL C C 78 180.217 180.217 177.611 2.606 18087 7490 1 15 . 1 1 78 78 VAL CA C 78 67.270 67.270 66.432 0.838 18087 7491 1 15 . 1 1 78 78 VAL CB C 78 31.181 31.181 30.855 0.326 18087 7492 1 15 . 1 1 78 78 VAL H H 78 8.192 8.192 7.548 0.644 18087 7493 1 15 . 1 1 79 79 ALA N N 79 125.884 125.884 122.760 3.124 18087 7494 1 15 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.828 -0.031 18087 7495 1 15 . 1 1 79 79 ALA C C 79 178.708 178.708 179.003 -0.295 18087 7496 1 15 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.146 0.745 18087 7497 1 15 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.675 -0.312 18087 7498 1 15 . 1 1 79 79 ALA H H 79 9.067 9.067 8.391 0.676 18087 7499 1 15 . 1 1 80 80 ALA N N 80 121.108 121.108 121.986 -0.878 18087 7500 1 15 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.967 0.157 18087 7501 1 15 . 1 1 80 80 ALA C C 80 182.175 182.175 179.650 2.525 18087 7502 1 15 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.223 0.200 18087 7503 1 15 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.054 -0.385 18087 7504 1 15 . 1 1 80 80 ALA H H 80 7.776 7.776 8.576 -0.800 18087 7505 1 15 . 1 1 81 81 LEU N N 81 118.519 118.519 118.228 0.291 18087 7506 1 15 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.970 0.148 18087 7507 1 15 . 1 1 81 81 LEU C C 81 177.959 177.959 179.566 -1.607 18087 7508 1 15 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.770 -0.281 18087 7509 1 15 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.658 0.511 18087 7510 1 15 . 1 1 81 81 LEU H H 81 8.097 8.097 7.856 0.241 18087 7511 1 15 . 1 1 82 82 THR N N 82 119.572 119.572 116.609 2.963 18087 7512 1 15 . 1 1 82 82 THR HA H 82 3.777 3.777 3.718 0.059 18087 7513 1 15 . 1 1 82 82 THR C C 82 176.911 176.911 176.807 0.104 18087 7514 1 15 . 1 1 82 82 THR CA C 82 68.058 68.058 66.943 1.115 18087 7515 1 15 . 1 1 82 82 THR CB C 82 67.402 67.402 68.552 -1.150 18087 7516 1 15 . 1 1 82 82 THR H H 82 8.537 8.537 8.196 0.341 18087 7517 1 15 . 1 1 83 83 VAL N N 83 123.805 123.805 122.096 1.709 18087 7518 1 15 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.834 -0.104 18087 7519 1 15 . 1 1 83 83 VAL C C 83 177.787 177.787 177.331 0.456 18087 7520 1 15 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.858 1.536 18087 7521 1 15 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.312 0.379 18087 7522 1 15 . 1 1 83 83 VAL H H 83 8.283 8.283 8.761 -0.478 18087 7523 1 15 . 1 1 84 84 ALA N N 84 121.134 121.134 122.436 -1.302 18087 7524 1 15 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.954 0.282 18087 7525 1 15 . 1 1 84 84 ALA C C 84 180.511 180.511 179.517 0.994 18087 7526 1 15 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.067 0.108 18087 7527 1 15 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.367 -0.940 18087 7528 1 15 . 1 1 84 84 ALA H H 84 7.466 7.466 7.983 -0.517 18087 7529 1 15 . 1 1 85 85 MET N N 85 121.755 121.755 117.307 4.448 18087 7530 1 15 . 1 1 85 85 MET HA H 85 3.796 3.796 4.236 -0.440 18087 7531 1 15 . 1 1 85 85 MET CA C 85 59.656 59.656 58.348 1.308 18087 7532 1 15 . 1 1 85 85 MET CB C 85 33.653 33.653 33.196 0.457 18087 7533 1 15 . 1 1 85 85 MET H H 85 8.549 8.549 8.390 0.159 18087 7534 1 15 . 1 1 86 86 ASN N N 86 119.410 119.410 118.950 0.460 18087 7535 1 15 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.688 -0.536 18087 7536 1 15 . 1 1 86 86 ASN C C 86 176.834 176.834 176.736 0.098 18087 7537 1 15 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.664 1.398 18087 7538 1 15 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.643 1.287 18087 7539 1 15 . 1 1 86 86 ASN H H 86 8.615 8.615 8.987 -0.372 18087 7540 1 15 . 1 1 87 87 ASN N N 87 117.077 117.077 117.966 -0.889 18087 7541 1 15 . 1 1 87 87 ASN HA H 87 4.446 4.446 2.582 1.864 18087 7542 1 15 . 1 1 87 87 ASN C C 87 176.906 176.906 176.673 0.233 18087 7543 1 15 . 1 1 87 87 ASN CA C 87 55.602 55.602 55.384 0.218 18087 7544 1 15 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.098 -0.522 18087 7545 1 15 . 1 1 87 87 ASN H H 87 8.286 8.286 7.706 0.580 18087 7546 1 15 . 1 1 88 88 PHE N N 88 119.698 119.698 120.327 -0.629 18087 7547 1 15 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.017 0.461 18087 7548 1 15 . 1 1 88 88 PHE C C 88 177.057 177.057 176.661 0.396 18087 7549 1 15 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.085 -1.539 18087 7550 1 15 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.729 0.882 18087 7551 1 15 . 1 1 88 88 PHE H H 88 7.909 7.909 7.712 0.197 18087 7552 1 15 . 1 1 89 89 PHE N N 89 116.219 116.219 117.501 -1.282 18087 7553 1 15 . 1 1 89 89 PHE HA H 89 4.210 4.210 3.901 0.309 18087 7554 1 15 . 1 1 89 89 PHE C C 89 177.637 177.637 177.528 0.109 18087 7555 1 15 . 1 1 89 89 PHE CA C 89 58.752 58.752 61.534 -2.782 18087 7556 1 15 . 1 1 89 89 PHE CB C 89 39.781 39.781 38.599 1.183 18087 7557 1 15 . 1 1 89 89 PHE H H 89 8.049 8.049 7.972 0.077 18087 7558 1 15 . 1 1 90 90 TRP N N 90 117.712 117.712 118.482 -0.770 18087 7559 1 15 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.476 0.052 18087 7560 1 15 . 1 1 90 90 TRP C C 90 176.741 176.741 178.161 -1.420 18087 7561 1 15 . 1 1 90 90 TRP CA C 90 58.109 58.109 58.634 -0.525 18087 7562 1 15 . 1 1 90 90 TRP CB C 90 29.720 29.720 28.624 1.096 18087 7563 1 15 . 1 1 90 90 TRP H H 90 8.257 8.257 7.568 0.689 18087 7564 1 15 . 1 1 91 91 GLU N N 91 120.493 120.493 115.864 4.629 18087 7565 1 15 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.420 0.008 18087 7566 1 15 . 1 1 91 91 GLU C C 91 176.393 176.393 176.000 0.393 18087 7567 1 15 . 1 1 91 91 GLU CA C 91 57.193 57.193 55.999 1.194 18087 7568 1 15 . 1 1 91 91 GLU CB C 91 29.850 29.850 30.340 -0.490 18087 7569 1 15 . 1 1 91 91 GLU H H 91 7.988 7.988 8.393 -0.405 18087 7570 1 15 . 1 1 92 92 ASN N N 92 119.006 119.006 119.893 -0.887 18087 7571 1 15 . 1 1 92 92 ASN HA H 92 4.787 4.787 3.994 0.793 18087 7572 1 15 . 1 1 92 92 ASN C C 92 174.284 174.284 173.934 0.350 18087 7573 1 15 . 1 1 92 92 ASN CA C 92 53.198 53.198 54.485 -1.287 18087 7574 1 15 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.295 0.938 18087 7575 1 15 . 1 1 92 92 ASN H H 92 8.203 8.203 7.698 0.505 18087 7576 1 16 . 1 1 2 2 SER N N 2 117.254 117.254 117.825 -0.571 18087 7577 1 16 . 1 1 2 2 SER HA H 2 4.737 4.737 4.494 0.243 18087 7578 1 16 . 1 1 2 2 SER C C 2 175.320 175.320 175.428 -0.108 18087 7579 1 16 . 1 1 2 2 SER CA C 2 57.476 57.476 58.269 -0.792 18087 7580 1 16 . 1 1 2 2 SER CB C 2 64.594 64.594 63.890 0.704 18087 7581 1 16 . 1 1 2 2 SER H H 2 8.686 8.686 8.899 -0.213 18087 7582 1 16 . 1 1 3 3 GLU N N 3 124.640 124.640 121.618 3.022 18087 7583 1 16 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.001 0.107 18087 7584 1 16 . 1 1 3 3 GLU C C 3 178.972 178.972 178.527 0.445 18087 7585 1 16 . 1 1 3 3 GLU CA C 3 60.375 60.375 60.179 0.196 18087 7586 1 16 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.245 0.499 18087 7587 1 16 . 1 1 3 3 GLU H H 3 9.242 9.242 8.829 0.413 18087 7588 1 16 . 1 1 4 4 LEU N N 4 119.682 119.682 120.576 -0.894 18087 7589 1 16 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.161 -0.209 18087 7590 1 16 . 1 1 4 4 LEU C C 4 178.027 178.027 179.123 -1.096 18087 7591 1 16 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.374 -0.195 18087 7592 1 16 . 1 1 4 4 LEU CB C 4 42.308 42.308 40.591 1.717 18087 7593 1 16 . 1 1 4 4 LEU H H 4 8.952 8.952 8.290 0.662 18087 7594 1 16 . 1 1 5 5 GLU N N 5 118.542 118.542 119.320 -0.778 18087 7595 1 16 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.077 -0.285 18087 7596 1 16 . 1 1 5 5 GLU C C 5 178.389 178.389 179.316 -0.927 18087 7597 1 16 . 1 1 5 5 GLU CA C 5 60.051 60.051 59.931 0.120 18087 7598 1 16 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.529 0.454 18087 7599 1 16 . 1 1 5 5 GLU H H 5 7.968 7.968 8.671 -0.703 18087 7600 1 16 . 1 1 6 6 THR N N 6 114.278 114.278 117.114 -2.836 18087 7601 1 16 . 1 1 6 6 THR HA H 6 4.015 4.015 4.241 -0.226 18087 7602 1 16 . 1 1 6 6 THR C C 6 176.990 176.990 177.074 -0.084 18087 7603 1 16 . 1 1 6 6 THR CA C 6 66.450 66.450 66.620 -0.170 18087 7604 1 16 . 1 1 6 6 THR CB C 6 68.637 68.637 68.502 0.135 18087 7605 1 16 . 1 1 6 6 THR H H 6 8.177 8.177 8.799 -0.622 18087 7606 1 16 . 1 1 7 7 ALA N N 7 126.659 126.659 126.624 0.035 18087 7607 1 16 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.096 0.067 18087 7608 1 16 . 1 1 7 7 ALA C C 7 179.338 179.338 179.697 -0.359 18087 7609 1 16 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.286 0.529 18087 7610 1 16 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.263 -0.079 18087 7611 1 16 . 1 1 7 7 ALA H H 7 8.166 8.166 8.935 -0.769 18087 7612 1 16 . 1 1 8 8 MET N N 8 117.727 117.727 117.384 0.343 18087 7613 1 16 . 1 1 8 8 MET HA H 8 3.731 3.731 4.314 -0.583 18087 7614 1 16 . 1 1 8 8 MET C C 8 178.071 178.071 179.088 -1.017 18087 7615 1 16 . 1 1 8 8 MET CA C 8 60.447 60.447 57.170 3.277 18087 7616 1 16 . 1 1 8 8 MET CB C 8 34.928 34.928 31.437 3.491 18087 7617 1 16 . 1 1 8 8 MET H H 8 8.090 8.090 8.518 -0.428 18087 7618 1 16 . 1 1 9 9 GLU N N 9 117.303 117.303 120.502 -3.199 18087 7619 1 16 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.959 -0.052 18087 7620 1 16 . 1 1 9 9 GLU C C 9 179.261 179.261 179.220 0.041 18087 7621 1 16 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.726 0.304 18087 7622 1 16 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.480 0.019 18087 7623 1 16 . 1 1 9 9 GLU H H 9 8.603 8.603 9.147 -0.544 18087 7624 1 16 . 1 1 10 10 THR N N 10 117.583 117.583 117.624 -0.041 18087 7625 1 16 . 1 1 10 10 THR HA H 10 4.088 4.088 4.109 -0.021 18087 7626 1 16 . 1 1 10 10 THR C C 10 175.758 175.758 176.862 -1.104 18087 7627 1 16 . 1 1 10 10 THR CA C 10 67.439 67.439 66.670 0.769 18087 7628 1 16 . 1 1 10 10 THR CB C 10 68.014 68.014 68.334 -0.320 18087 7629 1 16 . 1 1 10 10 THR H H 10 8.483 8.483 8.816 -0.333 18087 7630 1 16 . 1 1 11 11 LEU N N 11 119.623 119.623 122.388 -2.765 18087 7631 1 16 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.399 -0.429 18087 7632 1 16 . 1 1 11 11 LEU C C 11 178.935 178.935 179.528 -0.593 18087 7633 1 16 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.463 0.712 18087 7634 1 16 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.839 0.022 18087 7635 1 16 . 1 1 11 11 LEU H H 11 8.013 8.013 8.232 -0.219 18087 7636 1 16 . 1 1 12 12 ILE N N 12 119.751 119.751 120.432 -0.681 18087 7637 1 16 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.534 0.459 18087 7638 1 16 . 1 1 12 12 ILE C C 12 177.717 177.717 178.219 -0.502 18087 7639 1 16 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.232 1.516 18087 7640 1 16 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.244 3.022 18087 7641 1 16 . 1 1 12 12 ILE H H 12 7.708 7.708 8.792 -1.084 18087 7642 1 16 . 1 1 13 13 ASN N N 13 121.260 121.260 119.544 1.716 18087 7643 1 16 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.507 0.060 18087 7644 1 16 . 1 1 13 13 ASN C C 13 178.941 178.941 178.231 0.710 18087 7645 1 16 . 1 1 13 13 ASN CA C 13 56.339 56.339 57.544 -1.205 18087 7646 1 16 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.683 -0.589 18087 7647 1 16 . 1 1 13 13 ASN H H 13 9.125 9.125 8.776 0.349 18087 7648 1 16 . 1 1 14 14 VAL N N 14 120.868 120.868 120.907 -0.039 18087 7649 1 16 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.729 0.138 18087 7650 1 16 . 1 1 14 14 VAL C C 14 177.827 177.827 177.887 -0.060 18087 7651 1 16 . 1 1 14 14 VAL CA C 14 66.715 66.715 67.216 -0.501 18087 7652 1 16 . 1 1 14 14 VAL CB C 14 31.902 31.902 32.054 -0.152 18087 7653 1 16 . 1 1 14 14 VAL H H 14 8.965 8.965 8.199 0.766 18087 7654 1 16 . 1 1 15 15 PHE N N 15 117.672 117.672 120.886 -3.214 18087 7655 1 16 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.838 -0.392 18087 7656 1 16 . 1 1 15 15 PHE C C 15 177.713 177.713 177.706 0.007 18087 7657 1 16 . 1 1 15 15 PHE CA C 15 62.441 62.441 61.968 0.473 18087 7658 1 16 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.095 0.086 18087 7659 1 16 . 1 1 15 15 PHE H H 15 6.968 6.968 8.942 -1.974 18087 7660 1 16 . 1 1 16 16 HIS N N 16 115.122 115.122 121.050 -5.928 18087 7661 1 16 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.284 0.085 18087 7662 1 16 . 1 1 16 16 HIS C C 16 176.987 176.987 177.416 -0.429 18087 7663 1 16 . 1 1 16 16 HIS CA C 16 58.413 58.413 58.729 -0.316 18087 7664 1 16 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.610 -1.350 18087 7665 1 16 . 1 1 16 16 HIS H H 16 8.020 8.020 9.480 -1.460 18087 7666 1 16 . 1 1 17 17 ALA N N 17 122.533 122.533 121.675 0.858 18087 7667 1 16 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.794 0.323 18087 7668 1 16 . 1 1 17 17 ALA CA C 17 54.064 54.064 55.076 -1.012 18087 7669 1 16 . 1 1 17 17 ALA CB C 17 17.908 17.908 17.952 -0.044 18087 7670 1 16 . 1 1 17 17 ALA H H 17 8.282 8.282 8.768 -0.486 18087 7671 1 16 . 1 1 18 18 HIS N N 18 113.127 113.127 116.449 -3.322 18087 7672 1 16 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.243 0.165 18087 7673 1 16 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.641 -2.393 18087 7674 1 16 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.761 1.501 18087 7675 1 16 . 1 1 18 18 HIS H H 18 7.124 7.124 8.521 -1.397 18087 7676 1 16 . 1 1 19 19 SER HA H 19 3.963 3.963 4.229 -0.266 18087 7677 1 16 . 1 1 19 19 SER CA C 19 59.969 59.969 62.015 -2.046 18087 7678 1 16 . 1 1 19 19 SER CB C 19 62.416 62.416 62.680 -0.264 18087 7679 1 16 . 1 1 20 20 GLY N N 20 107.243 107.243 108.149 -0.906 18087 7680 1 16 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.542 -0.429 18087 7681 1 16 . 1 1 20 20 GLY H H 20 7.915 7.915 8.252 -0.337 18087 7682 1 16 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.034 -0.077 18087 7683 1 16 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.635 -0.590 18087 7684 1 16 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.338 -0.401 18087 7685 1 16 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.428 -0.386 18087 7686 1 16 . 1 1 22 22 GLU CA C 22 58.755 58.755 56.726 2.029 18087 7687 1 16 . 1 1 22 22 GLU CB C 22 30.184 30.184 30.602 -0.417 18087 7688 1 16 . 1 1 23 23 GLY N N 23 111.113 111.113 107.433 3.680 18087 7689 1 16 . 1 1 23 23 GLY CA C 23 46.790 46.790 44.875 1.915 18087 7690 1 16 . 1 1 23 23 GLY H H 23 8.435 8.435 7.636 0.799 18087 7691 1 16 . 1 1 24 24 ASP N N 24 123.994 123.994 118.370 5.624 18087 7692 1 16 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.344 0.152 18087 7693 1 16 . 1 1 24 24 ASP CA C 24 54.286 54.286 54.692 -0.406 18087 7694 1 16 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.120 -0.118 18087 7695 1 16 . 1 1 24 24 ASP H H 24 8.501 8.501 8.140 0.361 18087 7696 1 16 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.060 0.382 18087 7697 1 16 . 1 1 25 25 LYS CA C 25 56.523 56.523 57.857 -1.334 18087 7698 1 16 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.774 0.497 18087 7699 1 16 . 1 1 26 26 TYR N N 26 119.967 119.967 114.575 5.392 18087 7700 1 16 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.841 -0.049 18087 7701 1 16 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.712 0.307 18087 7702 1 16 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.785 -0.354 18087 7703 1 16 . 1 1 26 26 TYR H H 26 8.712 8.712 8.009 0.703 18087 7704 1 16 . 1 1 27 27 LYS HA H 27 5.299 5.299 5.049 0.250 18087 7705 1 16 . 1 1 27 27 LYS C C 27 174.308 174.308 173.457 0.851 18087 7706 1 16 . 1 1 27 27 LYS CA C 27 54.365 54.365 54.783 -0.418 18087 7707 1 16 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.856 -0.462 18087 7708 1 16 . 1 1 28 28 LEU N N 28 121.194 121.194 122.048 -0.854 18087 7709 1 16 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.652 0.068 18087 7710 1 16 . 1 1 28 28 LEU C C 28 178.895 178.895 174.127 4.768 18087 7711 1 16 . 1 1 28 28 LEU CA C 28 52.968 52.968 53.363 -0.395 18087 7712 1 16 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.322 0.888 18087 7713 1 16 . 1 1 28 28 LEU H H 28 8.632 8.632 8.611 0.021 18087 7714 1 16 . 1 1 29 29 SER N N 29 119.705 119.705 121.723 -2.018 18087 7715 1 16 . 1 1 29 29 SER HA H 29 4.987 4.987 4.752 0.235 18087 7716 1 16 . 1 1 29 29 SER C C 29 175.742 175.742 175.372 0.370 18087 7717 1 16 . 1 1 29 29 SER CA C 29 57.873 57.873 58.262 -0.389 18087 7718 1 16 . 1 1 29 29 SER CB C 29 64.531 64.531 64.489 0.042 18087 7719 1 16 . 1 1 29 29 SER H H 29 8.901 8.901 9.793 -0.892 18087 7720 1 16 . 1 1 30 30 LYS N N 30 124.208 124.208 123.022 1.186 18087 7721 1 16 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.125 -0.311 18087 7722 1 16 . 1 1 30 30 LYS C C 30 178.469 178.469 178.353 0.116 18087 7723 1 16 . 1 1 30 30 LYS CA C 30 61.433 61.433 57.669 3.764 18087 7724 1 16 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.287 0.982 18087 7725 1 16 . 1 1 30 30 LYS H H 30 8.836 8.836 8.519 0.317 18087 7726 1 16 . 1 1 31 31 LYS N N 31 119.570 119.570 120.575 -1.005 18087 7727 1 16 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.141 -0.095 18087 7728 1 16 . 1 1 31 31 LYS C C 31 179.409 179.409 178.269 1.140 18087 7729 1 16 . 1 1 31 31 LYS CA C 31 59.223 59.223 60.010 -0.787 18087 7730 1 16 . 1 1 31 31 LYS CB C 31 32.386 32.386 31.581 0.805 18087 7731 1 16 . 1 1 31 31 LYS H H 31 8.597 8.597 7.968 0.629 18087 7732 1 16 . 1 1 32 32 GLU N N 32 119.551 119.551 120.088 -0.537 18087 7733 1 16 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.065 -0.019 18087 7734 1 16 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.791 0.207 18087 7735 1 16 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.183 -0.713 18087 7736 1 16 . 1 1 32 32 GLU H H 32 7.442 7.442 8.099 -0.657 18087 7737 1 16 . 1 1 33 33 LEU N N 33 121.725 121.725 120.877 0.848 18087 7738 1 16 . 1 1 33 33 LEU HA H 33 4.068 4.068 4.013 0.055 18087 7739 1 16 . 1 1 33 33 LEU C C 33 177.279 177.279 178.555 -1.276 18087 7740 1 16 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.407 -1.010 18087 7741 1 16 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.567 -0.982 18087 7742 1 16 . 1 1 33 33 LEU H H 33 8.579 8.579 8.078 0.501 18087 7743 1 16 . 1 1 34 34 LYS N N 34 120.543 120.543 118.683 1.860 18087 7744 1 16 . 1 1 34 34 LYS HA H 34 3.636 3.636 4.002 -0.366 18087 7745 1 16 . 1 1 34 34 LYS C C 34 177.868 177.868 179.358 -1.490 18087 7746 1 16 . 1 1 34 34 LYS CA C 34 60.704 60.704 60.053 0.651 18087 7747 1 16 . 1 1 34 34 LYS CB C 34 31.870 31.870 32.346 -0.476 18087 7748 1 16 . 1 1 34 34 LYS H H 34 8.618 8.618 7.602 1.016 18087 7749 1 16 . 1 1 35 35 GLU N N 35 117.340 117.340 119.315 -1.975 18087 7750 1 16 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.125 -0.118 18087 7751 1 16 . 1 1 35 35 GLU C C 35 179.008 179.008 179.189 -0.181 18087 7752 1 16 . 1 1 35 35 GLU CA C 35 59.366 59.366 59.062 0.304 18087 7753 1 16 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.539 -0.344 18087 7754 1 16 . 1 1 35 35 GLU H H 35 7.713 7.713 7.852 -0.139 18087 7755 1 16 . 1 1 36 36 LEU N N 36 122.745 122.745 120.853 1.892 18087 7756 1 16 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.179 -0.166 18087 7757 1 16 . 1 1 36 36 LEU C C 36 178.646 178.646 178.554 0.092 18087 7758 1 16 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.486 -0.110 18087 7759 1 16 . 1 1 36 36 LEU CB C 36 41.888 41.888 40.921 0.967 18087 7760 1 16 . 1 1 36 36 LEU H H 36 8.150 8.150 8.766 -0.616 18087 7761 1 16 . 1 1 37 37 LEU N N 37 118.881 118.881 120.996 -2.115 18087 7762 1 16 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.079 -0.331 18087 7763 1 16 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.617 -0.256 18087 7764 1 16 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.256 0.157 18087 7765 1 16 . 1 1 37 37 LEU H H 37 8.495 8.495 8.360 0.135 18087 7766 1 16 . 1 1 38 38 GLN N N 38 115.311 115.311 117.153 -1.842 18087 7767 1 16 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.079 -0.290 18087 7768 1 16 . 1 1 38 38 GLN C C 38 177.826 177.826 178.206 -0.380 18087 7769 1 16 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.814 0.046 18087 7770 1 16 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.097 0.224 18087 7771 1 16 . 1 1 38 38 GLN H H 38 8.348 8.348 8.046 0.302 18087 7772 1 16 . 1 1 39 39 THR N N 39 112.151 112.151 117.858 -5.707 18087 7773 1 16 . 1 1 39 39 THR HA H 39 4.186 4.186 4.147 0.039 18087 7774 1 16 . 1 1 39 39 THR C C 39 177.166 177.166 177.365 -0.199 18087 7775 1 16 . 1 1 39 39 THR CA C 39 65.284 65.284 66.508 -1.224 18087 7776 1 16 . 1 1 39 39 THR CB C 39 69.179 69.179 68.442 0.737 18087 7777 1 16 . 1 1 39 39 THR H H 39 7.872 7.872 8.142 -0.270 18087 7778 1 16 . 1 1 40 40 GLU N N 40 119.602 119.602 121.243 -1.641 18087 7779 1 16 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.273 0.093 18087 7780 1 16 . 1 1 40 40 GLU C C 40 178.228 178.228 178.243 -0.015 18087 7781 1 16 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.680 -0.057 18087 7782 1 16 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.986 0.948 18087 7783 1 16 . 1 1 40 40 GLU H H 40 8.713 8.713 8.921 -0.208 18087 7784 1 16 . 1 1 41 41 LEU N N 41 118.018 118.018 120.456 -2.438 18087 7785 1 16 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.761 0.371 18087 7786 1 16 . 1 1 41 41 LEU C C 41 176.993 176.993 176.864 0.129 18087 7787 1 16 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.655 -0.836 18087 7788 1 16 . 1 1 41 41 LEU CB C 41 41.962 41.962 41.665 0.297 18087 7789 1 16 . 1 1 41 41 LEU H H 41 8.243 8.243 8.372 -0.129 18087 7790 1 16 . 1 1 42 42 SER N N 42 114.483 114.483 117.391 -2.908 18087 7791 1 16 . 1 1 42 42 SER HA H 42 3.950 3.950 4.224 -0.274 18087 7792 1 16 . 1 1 42 42 SER C C 42 176.651 176.651 176.868 -0.217 18087 7793 1 16 . 1 1 42 42 SER CA C 42 62.225 62.225 62.571 -0.346 18087 7794 1 16 . 1 1 42 42 SER CB C 42 62.675 62.675 62.887 -0.212 18087 7795 1 16 . 1 1 42 42 SER H H 42 7.019 7.019 7.572 -0.553 18087 7796 1 16 . 1 1 43 43 GLY N N 43 109.381 109.381 109.058 0.323 18087 7797 1 16 . 1 1 43 43 GLY C C 43 176.476 176.476 176.050 0.426 18087 7798 1 16 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.825 0.194 18087 7799 1 16 . 1 1 43 43 GLY H H 43 8.666 8.666 8.740 -0.074 18087 7800 1 16 . 1 1 44 44 PHE N N 44 124.390 124.390 122.163 2.227 18087 7801 1 16 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.591 -0.264 18087 7802 1 16 . 1 1 44 44 PHE C C 44 176.516 176.516 177.988 -1.472 18087 7803 1 16 . 1 1 44 44 PHE CA C 44 60.094 60.094 59.757 0.337 18087 7804 1 16 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.944 0.280 18087 7805 1 16 . 1 1 44 44 PHE H H 44 8.226 8.226 7.784 0.442 18087 7806 1 16 . 1 1 45 45 LEU N N 45 117.156 117.156 119.932 -2.776 18087 7807 1 16 . 1 1 45 45 LEU HA H 45 3.418 3.418 4.045 -0.627 18087 7808 1 16 . 1 1 45 45 LEU C C 45 179.673 179.673 178.594 1.079 18087 7809 1 16 . 1 1 45 45 LEU CA C 45 57.522 57.522 57.985 -0.463 18087 7810 1 16 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.602 -0.988 18087 7811 1 16 . 1 1 45 45 LEU H H 45 8.627 8.627 8.944 -0.317 18087 7812 1 16 . 1 1 46 46 ASP N N 46 117.663 117.663 120.231 -2.568 18087 7813 1 16 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.330 0.015 18087 7814 1 16 . 1 1 46 46 ASP C C 46 177.844 177.844 178.267 -0.423 18087 7815 1 16 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.347 -0.563 18087 7816 1 16 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.765 0.365 18087 7817 1 16 . 1 1 46 46 ASP H H 46 7.933 7.933 8.816 -0.883 18087 7818 1 16 . 1 1 47 47 ALA N N 47 119.795 119.795 120.015 -0.220 18087 7819 1 16 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.136 0.067 18087 7820 1 16 . 1 1 47 47 ALA C C 47 179.300 179.300 178.168 1.132 18087 7821 1 16 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.501 -1.139 18087 7822 1 16 . 1 1 47 47 ALA CB C 47 19.011 19.011 18.892 0.119 18087 7823 1 16 . 1 1 47 47 ALA H H 47 7.380 7.380 7.921 -0.541 18087 7824 1 16 . 1 1 48 48 GLN N N 48 115.955 115.955 114.492 1.463 18087 7825 1 16 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.752 -0.482 18087 7826 1 16 . 1 1 48 48 GLN C C 48 175.355 175.355 176.390 -1.035 18087 7827 1 16 . 1 1 48 48 GLN CA C 48 54.026 54.026 54.657 -0.631 18087 7828 1 16 . 1 1 48 48 GLN CB C 48 28.560 28.560 28.205 0.355 18087 7829 1 16 . 1 1 48 48 GLN H H 48 7.369 7.369 7.524 -0.155 18087 7830 1 16 . 1 1 49 49 LYS N N 49 119.402 119.402 121.238 -1.836 18087 7831 1 16 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.022 -0.006 18087 7832 1 16 . 1 1 49 49 LYS C C 49 176.255 176.255 176.810 -0.555 18087 7833 1 16 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.838 -1.654 18087 7834 1 16 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.305 -0.202 18087 7835 1 16 . 1 1 49 49 LYS H H 49 7.152 7.152 7.553 -0.401 18087 7836 1 16 . 1 1 50 50 ASP N N 50 117.172 117.172 114.579 2.593 18087 7837 1 16 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.584 0.011 18087 7838 1 16 . 1 1 50 50 ASP C C 50 175.916 175.916 175.789 0.127 18087 7839 1 16 . 1 1 50 50 ASP CA C 50 54.217 54.217 53.431 0.786 18087 7840 1 16 . 1 1 50 50 ASP CB C 50 40.309 40.309 39.906 0.403 18087 7841 1 16 . 1 1 50 50 ASP H H 50 8.338 8.338 8.397 -0.059 18087 7842 1 16 . 1 1 51 51 VAL N N 51 121.648 121.648 120.803 0.845 18087 7843 1 16 . 1 1 51 51 VAL HA H 51 3.997 3.997 4.246 -0.249 18087 7844 1 16 . 1 1 51 51 VAL C C 51 177.128 177.128 176.145 0.983 18087 7845 1 16 . 1 1 51 51 VAL CA C 51 62.404 62.404 61.364 1.040 18087 7846 1 16 . 1 1 51 51 VAL CB C 51 31.921 31.921 34.205 -2.284 18087 7847 1 16 . 1 1 51 51 VAL H H 51 7.604 7.604 7.432 0.172 18087 7848 1 16 . 1 1 52 52 ASP N N 52 129.202 129.202 128.451 0.751 18087 7849 1 16 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.289 -0.016 18087 7850 1 16 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.380 0.803 18087 7851 1 16 . 1 1 52 52 ASP CB C 52 40.935 40.935 40.786 0.149 18087 7852 1 16 . 1 1 52 52 ASP H H 52 8.702 8.702 9.092 -0.390 18087 7853 1 16 . 1 1 53 53 ALA N N 53 118.401 118.401 122.537 -4.136 18087 7854 1 16 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.114 -0.102 18087 7855 1 16 . 1 1 53 53 ALA C C 53 179.448 179.448 179.458 -0.010 18087 7856 1 16 . 1 1 53 53 ALA CA C 53 55.053 55.053 54.592 0.461 18087 7857 1 16 . 1 1 53 53 ALA CB C 53 19.364 19.364 17.949 1.415 18087 7858 1 16 . 1 1 53 53 ALA H H 53 8.478 8.478 8.432 0.046 18087 7859 1 16 . 1 1 54 54 VAL N N 54 115.050 115.050 119.055 -4.005 18087 7860 1 16 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.703 -0.161 18087 7861 1 16 . 1 1 54 54 VAL C C 54 177.000 177.000 177.414 -0.414 18087 7862 1 16 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.394 -1.174 18087 7863 1 16 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.858 0.201 18087 7864 1 16 . 1 1 54 54 VAL H H 54 6.988 6.988 8.035 -1.047 18087 7865 1 16 . 1 1 55 55 ASP N N 55 120.834 120.834 119.640 1.194 18087 7866 1 16 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.356 -0.078 18087 7867 1 16 . 1 1 55 55 ASP C C 55 178.307 178.307 178.396 -0.089 18087 7868 1 16 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.592 0.032 18087 7869 1 16 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.694 1.083 18087 7870 1 16 . 1 1 55 55 ASP H H 55 8.157 8.157 8.298 -0.141 18087 7871 1 16 . 1 1 56 56 LYS N N 56 115.672 115.672 119.833 -4.161 18087 7872 1 16 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.068 -0.180 18087 7873 1 16 . 1 1 56 56 LYS C C 56 179.372 179.372 179.226 0.146 18087 7874 1 16 . 1 1 56 56 LYS CA C 56 59.608 59.608 58.819 0.789 18087 7875 1 16 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.008 0.370 18087 7876 1 16 . 1 1 56 56 LYS H H 56 8.348 8.348 7.809 0.539 18087 7877 1 16 . 1 1 57 57 VAL N N 57 118.238 118.238 121.000 -2.762 18087 7878 1 16 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.678 0.051 18087 7879 1 16 . 1 1 57 57 VAL C C 57 177.541 177.541 178.168 -0.627 18087 7880 1 16 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.241 -0.539 18087 7881 1 16 . 1 1 57 57 VAL CB C 57 31.918 31.918 30.924 0.994 18087 7882 1 16 . 1 1 57 57 VAL H H 57 7.003 7.003 8.850 -1.847 18087 7883 1 16 . 1 1 58 58 MET N N 58 115.998 115.998 118.174 -2.176 18087 7884 1 16 . 1 1 58 58 MET HA H 58 4.313 4.313 4.099 0.214 18087 7885 1 16 . 1 1 58 58 MET C C 58 179.857 179.857 178.733 1.124 18087 7886 1 16 . 1 1 58 58 MET CA C 58 56.717 56.717 58.625 -1.908 18087 7887 1 16 . 1 1 58 58 MET CB C 58 32.366 32.366 31.706 0.660 18087 7888 1 16 . 1 1 58 58 MET H H 58 7.836 7.836 7.942 -0.106 18087 7889 1 16 . 1 1 59 59 LYS N N 59 119.682 119.682 120.844 -1.162 18087 7890 1 16 . 1 1 59 59 LYS HA H 59 4.088 4.088 3.997 0.091 18087 7891 1 16 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.347 0.095 18087 7892 1 16 . 1 1 59 59 LYS CB C 59 32.504 32.504 32.006 0.498 18087 7893 1 16 . 1 1 59 59 LYS H H 59 8.619 8.619 8.972 -0.353 18087 7894 1 16 . 1 1 60 60 GLU N N 60 119.917 119.917 119.599 0.318 18087 7895 1 16 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.251 -0.315 18087 7896 1 16 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.220 0.020 18087 7897 1 16 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.314 0.775 18087 7898 1 16 . 1 1 60 60 GLU H H 60 7.721 7.721 8.595 -0.874 18087 7899 1 16 . 1 1 61 61 LEU N N 61 116.614 116.614 119.333 -2.719 18087 7900 1 16 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.154 -0.131 18087 7901 1 16 . 1 1 61 61 LEU C C 61 175.845 175.845 179.294 -3.449 18087 7902 1 16 . 1 1 61 61 LEU CA C 61 56.515 56.515 57.992 -1.477 18087 7903 1 16 . 1 1 61 61 LEU CB C 61 41.218 41.218 41.105 0.113 18087 7904 1 16 . 1 1 61 61 LEU H H 61 7.429 7.429 7.561 -0.132 18087 7905 1 16 . 1 1 62 62 ASP N N 62 116.147 116.147 120.582 -4.435 18087 7906 1 16 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.406 0.117 18087 7907 1 16 . 1 1 62 62 ASP C C 62 177.790 177.790 179.043 -1.253 18087 7908 1 16 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.474 -2.048 18087 7909 1 16 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.815 1.065 18087 7910 1 16 . 1 1 62 62 ASP H H 62 7.423 7.423 8.567 -1.144 18087 7911 1 16 . 1 1 63 63 GLU N N 63 119.660 119.660 119.246 0.414 18087 7912 1 16 . 1 1 63 63 GLU HA H 63 4.136 4.136 4.049 0.087 18087 7913 1 16 . 1 1 63 63 GLU CA C 63 57.377 57.377 59.059 -1.682 18087 7914 1 16 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.545 0.444 18087 7915 1 16 . 1 1 63 63 GLU H H 63 7.837 7.837 8.672 -0.835 18087 7916 1 16 . 1 1 64 64 ASN N N 64 118.376 118.376 116.796 1.580 18087 7917 1 16 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.880 -0.018 18087 7918 1 16 . 1 1 64 64 ASN C C 64 176.216 176.216 175.787 0.429 18087 7919 1 16 . 1 1 64 64 ASN CA C 64 52.688 52.688 52.044 0.644 18087 7920 1 16 . 1 1 64 64 ASN CB C 64 38.185 38.185 38.055 0.130 18087 7921 1 16 . 1 1 64 64 ASN H H 64 8.012 8.012 7.481 0.531 18087 7922 1 16 . 1 1 65 65 GLY N N 65 107.248 107.248 107.971 -0.723 18087 7923 1 16 . 1 1 65 65 GLY C C 65 173.971 173.971 174.734 -0.763 18087 7924 1 16 . 1 1 65 65 GLY CA C 65 47.136 47.136 45.359 1.777 18087 7925 1 16 . 1 1 65 65 GLY H H 65 7.989 7.989 8.522 -0.533 18087 7926 1 16 . 1 1 66 66 ASP N N 66 116.989 116.989 120.606 -3.617 18087 7927 1 16 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.408 0.380 18087 7928 1 16 . 1 1 66 66 ASP C C 66 177.289 177.289 176.813 0.476 18087 7929 1 16 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.103 -1.937 18087 7930 1 16 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.012 -0.025 18087 7931 1 16 . 1 1 66 66 ASP H H 66 8.233 8.233 7.932 0.301 18087 7932 1 16 . 1 1 67 67 GLY N N 67 108.642 108.642 105.791 2.851 18087 7933 1 16 . 1 1 67 67 GLY C C 67 172.757 172.757 173.063 -0.306 18087 7934 1 16 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.705 -0.489 18087 7935 1 16 . 1 1 67 67 GLY H H 67 8.274 8.274 7.777 0.497 18087 7936 1 16 . 1 1 68 68 GLU N N 68 118.614 118.614 118.818 -0.204 18087 7937 1 16 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.928 0.027 18087 7938 1 16 . 1 1 68 68 GLU C C 68 175.881 175.881 174.558 1.323 18087 7939 1 16 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.240 0.125 18087 7940 1 16 . 1 1 68 68 GLU CB C 68 33.488 33.488 33.282 0.206 18087 7941 1 16 . 1 1 68 68 GLU H H 68 8.404 8.404 7.867 0.537 18087 7942 1 16 . 1 1 69 69 VAL N N 69 117.572 117.572 120.470 -2.898 18087 7943 1 16 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.887 -0.122 18087 7944 1 16 . 1 1 69 69 VAL C C 69 174.820 174.820 174.040 0.780 18087 7945 1 16 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.358 0.593 18087 7946 1 16 . 1 1 69 69 VAL CB C 69 34.352 34.352 35.556 -1.204 18087 7947 1 16 . 1 1 69 69 VAL H H 69 9.167 9.167 9.209 -0.042 18087 7948 1 16 . 1 1 70 70 ASP N N 70 122.616 122.616 127.323 -4.707 18087 7949 1 16 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.011 0.203 18087 7950 1 16 . 1 1 70 70 ASP C C 70 175.822 175.822 176.268 -0.446 18087 7951 1 16 . 1 1 70 70 ASP CA C 70 51.376 51.376 53.008 -1.632 18087 7952 1 16 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.221 -1.028 18087 7953 1 16 . 1 1 70 70 ASP H H 70 8.292 8.292 8.450 -0.158 18087 7954 1 16 . 1 1 71 71 PHE N N 71 119.243 119.243 119.426 -0.183 18087 7955 1 16 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.486 -0.735 18087 7956 1 16 . 1 1 71 71 PHE C C 71 176.387 176.387 177.017 -0.630 18087 7957 1 16 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.327 1.639 18087 7958 1 16 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.220 -0.079 18087 7959 1 16 . 1 1 71 71 PHE H H 71 8.889 8.889 8.663 0.226 18087 7960 1 16 . 1 1 72 72 GLN N N 72 116.655 116.655 117.374 -0.719 18087 7961 1 16 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.693 0.015 18087 7962 1 16 . 1 1 72 72 GLN C C 72 177.102 177.102 178.350 -1.248 18087 7963 1 16 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.282 -0.007 18087 7964 1 16 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.493 -0.326 18087 7965 1 16 . 1 1 72 72 GLN H H 72 8.021 8.021 9.387 -1.366 18087 7966 1 16 . 1 1 73 73 GLU N N 73 119.195 119.195 120.092 -0.897 18087 7967 1 16 . 1 1 73 73 GLU HA H 73 4.493 4.493 3.973 0.520 18087 7968 1 16 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.194 -4.015 18087 7969 1 16 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.641 2.173 18087 7970 1 16 . 1 1 73 73 GLU H H 73 8.066 8.066 8.642 -0.576 18087 7971 1 16 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.164 -0.078 18087 7972 1 16 . 1 1 74 74 TYR CA C 74 60.497 60.497 61.247 -0.750 18087 7973 1 16 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.545 -0.719 18087 7974 1 16 . 1 1 75 75 VAL N N 75 120.072 120.072 117.063 3.009 18087 7975 1 16 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.196 -0.213 18087 7976 1 16 . 1 1 75 75 VAL C C 75 177.295 177.295 177.468 -0.173 18087 7977 1 16 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.133 0.559 18087 7978 1 16 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.115 0.503 18087 7979 1 16 . 1 1 75 75 VAL H H 75 8.291 8.291 8.319 -0.028 18087 7980 1 16 . 1 1 76 76 VAL N N 76 121.367 121.367 120.365 1.002 18087 7981 1 16 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.514 0.006 18087 7982 1 16 . 1 1 76 76 VAL C C 76 178.847 178.847 177.391 1.456 18087 7983 1 16 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.960 0.593 18087 7984 1 16 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.296 0.092 18087 7985 1 16 . 1 1 76 76 VAL H H 76 7.571 7.571 7.624 -0.053 18087 7986 1 16 . 1 1 77 77 LEU N N 77 123.054 123.054 121.286 1.768 18087 7987 1 16 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.983 0.146 18087 7988 1 16 . 1 1 77 77 LEU C C 77 179.065 179.065 178.192 0.873 18087 7989 1 16 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.212 0.280 18087 7990 1 16 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.796 -0.500 18087 7991 1 16 . 1 1 77 77 LEU H H 77 7.360 7.360 7.955 -0.595 18087 7992 1 16 . 1 1 78 78 VAL N N 78 119.163 119.163 115.772 3.391 18087 7993 1 16 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.573 -0.300 18087 7994 1 16 . 1 1 78 78 VAL C C 78 180.217 180.217 177.718 2.499 18087 7995 1 16 . 1 1 78 78 VAL CA C 78 67.270 67.270 66.252 1.018 18087 7996 1 16 . 1 1 78 78 VAL CB C 78 31.181 31.181 31.060 0.121 18087 7997 1 16 . 1 1 78 78 VAL H H 78 8.192 8.192 7.798 0.394 18087 7998 1 16 . 1 1 79 79 ALA N N 79 125.884 125.884 122.791 3.093 18087 7999 1 16 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.807 -0.010 18087 8000 1 16 . 1 1 79 79 ALA C C 79 178.708 178.708 178.905 -0.197 18087 8001 1 16 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.130 0.760 18087 8002 1 16 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.688 -0.325 18087 8003 1 16 . 1 1 79 79 ALA H H 79 9.067 9.067 8.747 0.320 18087 8004 1 16 . 1 1 80 80 ALA N N 80 121.108 121.108 121.907 -0.799 18087 8005 1 16 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.908 0.216 18087 8006 1 16 . 1 1 80 80 ALA C C 80 182.175 182.175 179.557 2.618 18087 8007 1 16 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.160 0.263 18087 8008 1 16 . 1 1 80 80 ALA CB C 80 17.669 17.669 17.994 -0.325 18087 8009 1 16 . 1 1 80 80 ALA H H 80 7.776 7.776 8.636 -0.860 18087 8010 1 16 . 1 1 81 81 LEU N N 81 118.519 118.519 118.614 -0.095 18087 8011 1 16 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.907 0.211 18087 8012 1 16 . 1 1 81 81 LEU C C 81 177.959 177.959 179.231 -1.272 18087 8013 1 16 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.713 -0.224 18087 8014 1 16 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.621 0.548 18087 8015 1 16 . 1 1 81 81 LEU H H 81 8.097 8.097 7.640 0.457 18087 8016 1 16 . 1 1 82 82 THR N N 82 119.572 119.572 115.388 4.184 18087 8017 1 16 . 1 1 82 82 THR HA H 82 3.777 3.777 2.597 1.180 18087 8018 1 16 . 1 1 82 82 THR C C 82 176.911 176.911 176.207 0.704 18087 8019 1 16 . 1 1 82 82 THR CA C 82 68.058 68.058 66.803 1.255 18087 8020 1 16 . 1 1 82 82 THR CB C 82 67.402 67.402 68.084 -0.682 18087 8021 1 16 . 1 1 82 82 THR H H 82 8.537 8.537 8.017 0.520 18087 8022 1 16 . 1 1 83 83 VAL N N 83 123.805 123.805 121.382 2.423 18087 8023 1 16 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.661 0.069 18087 8024 1 16 . 1 1 83 83 VAL C C 83 177.787 177.787 177.168 0.619 18087 8025 1 16 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.487 1.907 18087 8026 1 16 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.090 0.601 18087 8027 1 16 . 1 1 83 83 VAL H H 83 8.283 8.283 8.598 -0.315 18087 8028 1 16 . 1 1 84 84 ALA N N 84 121.134 121.134 122.559 -1.425 18087 8029 1 16 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.806 0.430 18087 8030 1 16 . 1 1 84 84 ALA C C 84 180.511 180.511 179.511 1.000 18087 8031 1 16 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.163 0.012 18087 8032 1 16 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.196 -0.769 18087 8033 1 16 . 1 1 84 84 ALA H H 84 7.466 7.466 8.127 -0.661 18087 8034 1 16 . 1 1 85 85 MET N N 85 121.755 121.755 117.610 4.145 18087 8035 1 16 . 1 1 85 85 MET HA H 85 3.796 3.796 4.378 -0.583 18087 8036 1 16 . 1 1 85 85 MET CA C 85 59.656 59.656 59.052 0.604 18087 8037 1 16 . 1 1 85 85 MET CB C 85 33.653 33.653 33.134 0.519 18087 8038 1 16 . 1 1 85 85 MET H H 85 8.549 8.549 8.423 0.126 18087 8039 1 16 . 1 1 86 86 ASN N N 86 119.410 119.410 118.864 0.546 18087 8040 1 16 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.579 -0.427 18087 8041 1 16 . 1 1 86 86 ASN C C 86 176.834 176.834 177.311 -0.477 18087 8042 1 16 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.019 2.043 18087 8043 1 16 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.042 1.888 18087 8044 1 16 . 1 1 86 86 ASN H H 86 8.615 8.615 8.725 -0.110 18087 8045 1 16 . 1 1 87 87 ASN N N 87 117.077 117.077 119.414 -2.337 18087 8046 1 16 . 1 1 87 87 ASN HA H 87 4.446 4.446 4.471 -0.025 18087 8047 1 16 . 1 1 87 87 ASN C C 87 176.906 176.906 176.920 -0.014 18087 8048 1 16 . 1 1 87 87 ASN CA C 87 55.602 55.602 56.314 -0.712 18087 8049 1 16 . 1 1 87 87 ASN CB C 87 37.576 37.576 37.900 -0.324 18087 8050 1 16 . 1 1 87 87 ASN H H 87 8.286 8.286 8.740 -0.454 18087 8051 1 16 . 1 1 88 88 PHE N N 88 119.698 119.698 118.688 1.010 18087 8052 1 16 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.160 0.318 18087 8053 1 16 . 1 1 88 88 PHE C C 88 177.057 177.057 177.970 -0.913 18087 8054 1 16 . 1 1 88 88 PHE CA C 88 59.546 59.546 60.900 -1.354 18087 8055 1 16 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.225 1.386 18087 8056 1 16 . 1 1 88 88 PHE H H 88 7.909 7.909 7.389 0.520 18087 8057 1 16 . 1 1 89 89 PHE N N 89 116.219 116.219 118.470 -2.251 18087 8058 1 16 . 1 1 89 89 PHE HA H 89 4.210 4.210 3.879 0.331 18087 8059 1 16 . 1 1 89 89 PHE C C 89 177.637 177.637 176.275 1.362 18087 8060 1 16 . 1 1 89 89 PHE CA C 89 58.752 58.752 60.993 -2.241 18087 8061 1 16 . 1 1 89 89 PHE CB C 89 39.781 39.781 37.304 2.477 18087 8062 1 16 . 1 1 89 89 PHE H H 89 8.049 8.049 7.516 0.533 18087 8063 1 16 . 1 1 90 90 TRP N N 90 117.712 117.712 115.268 2.444 18087 8064 1 16 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.530 -0.002 18087 8065 1 16 . 1 1 90 90 TRP C C 90 176.741 176.741 178.074 -1.333 18087 8066 1 16 . 1 1 90 90 TRP CA C 90 58.109 58.109 57.938 0.171 18087 8067 1 16 . 1 1 90 90 TRP CB C 90 29.720 29.720 29.610 0.110 18087 8068 1 16 . 1 1 90 90 TRP H H 90 8.257 8.257 7.129 1.128 18087 8069 1 16 . 1 1 91 91 GLU N N 91 120.493 120.493 116.619 3.874 18087 8070 1 16 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.440 -0.012 18087 8071 1 16 . 1 1 91 91 GLU C C 91 176.393 176.393 176.839 -0.446 18087 8072 1 16 . 1 1 91 91 GLU CA C 91 57.193 57.193 57.377 -0.183 18087 8073 1 16 . 1 1 91 91 GLU CB C 91 29.850 29.850 30.758 -0.908 18087 8074 1 16 . 1 1 91 91 GLU H H 91 7.988 7.988 8.341 -0.353 18087 8075 1 16 . 1 1 92 92 ASN N N 92 119.006 119.006 118.717 0.289 18087 8076 1 16 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.915 -0.128 18087 8077 1 16 . 1 1 92 92 ASN C C 92 174.284 174.284 173.577 0.707 18087 8078 1 16 . 1 1 92 92 ASN CA C 92 53.198 53.198 53.271 -0.073 18087 8079 1 16 . 1 1 92 92 ASN CB C 92 39.233 39.233 39.374 -0.141 18087 8080 1 16 . 1 1 92 92 ASN H H 92 8.203 8.203 8.149 0.054 18087 8081 1 17 . 1 1 2 2 SER N N 2 117.254 117.254 117.757 -0.503 18087 8082 1 17 . 1 1 2 2 SER HA H 2 4.737 4.737 4.472 0.265 18087 8083 1 17 . 1 1 2 2 SER C C 2 175.320 175.320 175.418 -0.098 18087 8084 1 17 . 1 1 2 2 SER CA C 2 57.476 57.476 57.685 -0.209 18087 8085 1 17 . 1 1 2 2 SER CB C 2 64.594 64.594 64.588 0.006 18087 8086 1 17 . 1 1 2 2 SER H H 2 8.686 8.686 8.307 0.379 18087 8087 1 17 . 1 1 3 3 GLU N N 3 124.640 124.640 121.097 3.543 18087 8088 1 17 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.066 0.042 18087 8089 1 17 . 1 1 3 3 GLU C C 3 178.972 178.972 178.632 0.340 18087 8090 1 17 . 1 1 3 3 GLU CA C 3 60.375 60.375 59.657 0.718 18087 8091 1 17 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.204 0.540 18087 8092 1 17 . 1 1 3 3 GLU H H 3 9.242 9.242 8.893 0.349 18087 8093 1 17 . 1 1 4 4 LEU N N 4 119.682 119.682 120.405 -0.723 18087 8094 1 17 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.080 -0.128 18087 8095 1 17 . 1 1 4 4 LEU C C 4 178.027 178.027 178.660 -0.633 18087 8096 1 17 . 1 1 4 4 LEU CA C 4 58.179 58.179 57.935 0.243 18087 8097 1 17 . 1 1 4 4 LEU CB C 4 42.308 42.308 41.564 0.744 18087 8098 1 17 . 1 1 4 4 LEU H H 4 8.952 8.952 8.108 0.844 18087 8099 1 17 . 1 1 5 5 GLU N N 5 118.542 118.542 118.298 0.244 18087 8100 1 17 . 1 1 5 5 GLU HA H 5 3.792 3.792 3.981 -0.189 18087 8101 1 17 . 1 1 5 5 GLU C C 5 178.389 178.389 179.107 -0.718 18087 8102 1 17 . 1 1 5 5 GLU CA C 5 60.051 60.051 59.855 0.196 18087 8103 1 17 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.597 0.386 18087 8104 1 17 . 1 1 5 5 GLU H H 5 7.968 7.968 8.105 -0.137 18087 8105 1 17 . 1 1 6 6 THR N N 6 114.278 114.278 116.860 -2.582 18087 8106 1 17 . 1 1 6 6 THR HA H 6 4.015 4.015 4.028 -0.013 18087 8107 1 17 . 1 1 6 6 THR C C 6 176.990 176.990 176.896 0.094 18087 8108 1 17 . 1 1 6 6 THR CA C 6 66.450 66.450 66.541 -0.091 18087 8109 1 17 . 1 1 6 6 THR CB C 6 68.637 68.637 68.812 -0.175 18087 8110 1 17 . 1 1 6 6 THR H H 6 8.177 8.177 7.763 0.414 18087 8111 1 17 . 1 1 7 7 ALA N N 7 126.659 126.659 126.058 0.601 18087 8112 1 17 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.129 0.034 18087 8113 1 17 . 1 1 7 7 ALA C C 7 179.338 179.338 179.599 -0.261 18087 8114 1 17 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.300 0.515 18087 8115 1 17 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.335 -0.151 18087 8116 1 17 . 1 1 7 7 ALA H H 7 8.166 8.166 9.109 -0.943 18087 8117 1 17 . 1 1 8 8 MET N N 8 117.727 117.727 117.334 0.393 18087 8118 1 17 . 1 1 8 8 MET HA H 8 3.731 3.731 4.349 -0.618 18087 8119 1 17 . 1 1 8 8 MET C C 8 178.071 178.071 179.007 -0.936 18087 8120 1 17 . 1 1 8 8 MET CA C 8 60.447 60.447 57.418 3.029 18087 8121 1 17 . 1 1 8 8 MET CB C 8 34.928 34.928 31.205 3.723 18087 8122 1 17 . 1 1 8 8 MET H H 8 8.090 8.090 7.904 0.186 18087 8123 1 17 . 1 1 9 9 GLU N N 9 117.303 117.303 119.732 -2.429 18087 8124 1 17 . 1 1 9 9 GLU HA H 9 3.907 3.907 4.041 -0.134 18087 8125 1 17 . 1 1 9 9 GLU C C 9 179.261 179.261 179.386 -0.125 18087 8126 1 17 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.608 0.422 18087 8127 1 17 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.088 0.411 18087 8128 1 17 . 1 1 9 9 GLU H H 9 8.603 8.603 8.119 0.484 18087 8129 1 17 . 1 1 10 10 THR N N 10 117.583 117.583 117.830 -0.247 18087 8130 1 17 . 1 1 10 10 THR HA H 10 4.088 4.088 4.100 -0.012 18087 8131 1 17 . 1 1 10 10 THR C C 10 175.758 175.758 177.075 -1.317 18087 8132 1 17 . 1 1 10 10 THR CA C 10 67.439 67.439 66.772 0.667 18087 8133 1 17 . 1 1 10 10 THR CB C 10 68.014 68.014 68.454 -0.440 18087 8134 1 17 . 1 1 10 10 THR H H 10 8.483 8.483 8.709 -0.226 18087 8135 1 17 . 1 1 11 11 LEU N N 11 119.623 119.623 122.156 -2.533 18087 8136 1 17 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.318 -0.348 18087 8137 1 17 . 1 1 11 11 LEU C C 11 178.935 178.935 179.517 -0.582 18087 8138 1 17 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.353 0.822 18087 8139 1 17 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.635 0.226 18087 8140 1 17 . 1 1 11 11 LEU H H 11 8.013 8.013 8.687 -0.674 18087 8141 1 17 . 1 1 12 12 ILE N N 12 119.751 119.751 120.411 -0.660 18087 8142 1 17 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.597 0.396 18087 8143 1 17 . 1 1 12 12 ILE C C 12 177.717 177.717 178.149 -0.432 18087 8144 1 17 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.208 1.540 18087 8145 1 17 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.344 2.922 18087 8146 1 17 . 1 1 12 12 ILE H H 12 7.708 7.708 8.851 -1.143 18087 8147 1 17 . 1 1 13 13 ASN N N 13 121.260 121.260 119.396 1.864 18087 8148 1 17 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.557 0.010 18087 8149 1 17 . 1 1 13 13 ASN C C 13 178.941 178.941 178.242 0.699 18087 8150 1 17 . 1 1 13 13 ASN CA C 13 56.339 56.339 57.237 -0.898 18087 8151 1 17 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.491 -0.397 18087 8152 1 17 . 1 1 13 13 ASN H H 13 9.125 9.125 8.813 0.312 18087 8153 1 17 . 1 1 14 14 VAL N N 14 120.868 120.868 120.381 0.487 18087 8154 1 17 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.745 0.122 18087 8155 1 17 . 1 1 14 14 VAL C C 14 177.827 177.827 177.874 -0.047 18087 8156 1 17 . 1 1 14 14 VAL CA C 14 66.715 66.715 67.284 -0.569 18087 8157 1 17 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.667 0.235 18087 8158 1 17 . 1 1 14 14 VAL H H 14 8.965 8.965 8.134 0.831 18087 8159 1 17 . 1 1 15 15 PHE N N 15 117.672 117.672 121.268 -3.596 18087 8160 1 17 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.923 -0.477 18087 8161 1 17 . 1 1 15 15 PHE C C 15 177.713 177.713 177.459 0.254 18087 8162 1 17 . 1 1 15 15 PHE CA C 15 62.441 62.441 61.940 0.502 18087 8163 1 17 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.183 -0.002 18087 8164 1 17 . 1 1 15 15 PHE H H 15 6.968 6.968 8.666 -1.698 18087 8165 1 17 . 1 1 16 16 HIS N N 16 115.122 115.122 120.094 -4.972 18087 8166 1 17 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.259 0.110 18087 8167 1 17 . 1 1 16 16 HIS C C 16 176.987 176.987 177.579 -0.592 18087 8168 1 17 . 1 1 16 16 HIS CA C 16 58.413 58.413 58.990 -0.577 18087 8169 1 17 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.845 -1.585 18087 8170 1 17 . 1 1 16 16 HIS H H 16 8.020 8.020 9.470 -1.450 18087 8171 1 17 . 1 1 17 17 ALA N N 17 122.533 122.533 121.330 1.203 18087 8172 1 17 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.909 0.208 18087 8173 1 17 . 1 1 17 17 ALA CA C 17 54.064 54.064 55.055 -0.991 18087 8174 1 17 . 1 1 17 17 ALA CB C 17 17.908 17.908 17.949 -0.041 18087 8175 1 17 . 1 1 17 17 ALA H H 17 8.282 8.282 8.375 -0.093 18087 8176 1 17 . 1 1 18 18 HIS N N 18 113.127 113.127 116.902 -3.775 18087 8177 1 17 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.273 0.135 18087 8178 1 17 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.236 -1.988 18087 8179 1 17 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.432 1.830 18087 8180 1 17 . 1 1 18 18 HIS H H 18 7.124 7.124 7.704 -0.580 18087 8181 1 17 . 1 1 19 19 SER HA H 19 3.963 3.963 4.268 -0.304 18087 8182 1 17 . 1 1 19 19 SER CA C 19 59.969 59.969 62.611 -2.642 18087 8183 1 17 . 1 1 19 19 SER CB C 19 62.416 62.416 62.607 -0.191 18087 8184 1 17 . 1 1 20 20 GLY N N 20 107.243 107.243 109.497 -2.254 18087 8185 1 17 . 1 1 20 20 GLY CA C 20 46.114 46.114 47.059 -0.945 18087 8186 1 17 . 1 1 20 20 GLY H H 20 7.915 7.915 8.072 -0.157 18087 8187 1 17 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.088 -0.131 18087 8188 1 17 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.602 -0.557 18087 8189 1 17 . 1 1 21 21 LYS CB C 21 31.937 31.937 31.895 0.042 18087 8190 1 17 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.166 -0.124 18087 8191 1 17 . 1 1 22 22 GLU CA C 22 58.755 58.755 58.377 0.378 18087 8192 1 17 . 1 1 22 22 GLU CB C 22 30.184 30.184 30.629 -0.445 18087 8193 1 17 . 1 1 23 23 GLY N N 23 111.113 111.113 106.657 4.456 18087 8194 1 17 . 1 1 23 23 GLY CA C 23 46.790 46.790 44.524 2.266 18087 8195 1 17 . 1 1 23 23 GLY H H 23 8.435 8.435 8.345 0.090 18087 8196 1 17 . 1 1 24 24 ASP N N 24 123.994 123.994 120.436 3.558 18087 8197 1 17 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.583 -0.087 18087 8198 1 17 . 1 1 24 24 ASP CA C 24 54.286 54.286 53.034 1.252 18087 8199 1 17 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.137 -0.135 18087 8200 1 17 . 1 1 24 24 ASP H H 24 8.501 8.501 7.813 0.688 18087 8201 1 17 . 1 1 25 25 LYS HA H 25 4.442 4.442 3.919 0.523 18087 8202 1 17 . 1 1 25 25 LYS CA C 25 56.523 56.523 57.742 -1.219 18087 8203 1 17 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.476 0.795 18087 8204 1 17 . 1 1 26 26 TYR N N 26 119.967 119.967 114.265 5.702 18087 8205 1 17 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.709 0.083 18087 8206 1 17 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.260 0.759 18087 8207 1 17 . 1 1 26 26 TYR CB C 26 38.431 38.431 39.236 -0.805 18087 8208 1 17 . 1 1 26 26 TYR H H 26 8.712 8.712 8.071 0.641 18087 8209 1 17 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.912 0.387 18087 8210 1 17 . 1 1 27 27 LYS C C 27 174.308 174.308 174.082 0.226 18087 8211 1 17 . 1 1 27 27 LYS CA C 27 54.365 54.365 55.222 -0.857 18087 8212 1 17 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.327 0.067 18087 8213 1 17 . 1 1 28 28 LEU N N 28 121.194 121.194 123.210 -2.016 18087 8214 1 17 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.691 0.029 18087 8215 1 17 . 1 1 28 28 LEU C C 28 178.895 178.895 174.514 4.381 18087 8216 1 17 . 1 1 28 28 LEU CA C 28 52.968 52.968 53.430 -0.462 18087 8217 1 17 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.317 0.894 18087 8218 1 17 . 1 1 28 28 LEU H H 28 8.632 8.632 8.834 -0.202 18087 8219 1 17 . 1 1 29 29 SER N N 29 119.705 119.705 121.055 -1.350 18087 8220 1 17 . 1 1 29 29 SER HA H 29 4.987 4.987 4.798 0.189 18087 8221 1 17 . 1 1 29 29 SER C C 29 175.742 175.742 174.773 0.969 18087 8222 1 17 . 1 1 29 29 SER CA C 29 57.873 57.873 57.110 0.763 18087 8223 1 17 . 1 1 29 29 SER CB C 29 64.531 64.531 65.357 -0.826 18087 8224 1 17 . 1 1 29 29 SER H H 29 8.901 8.901 9.077 -0.176 18087 8225 1 17 . 1 1 30 30 LYS N N 30 124.208 124.208 121.646 2.562 18087 8226 1 17 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.217 -0.403 18087 8227 1 17 . 1 1 30 30 LYS C C 30 178.469 178.469 178.391 0.078 18087 8228 1 17 . 1 1 30 30 LYS CA C 30 61.433 61.433 57.575 3.858 18087 8229 1 17 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.427 0.842 18087 8230 1 17 . 1 1 30 30 LYS H H 30 8.836 8.836 8.961 -0.125 18087 8231 1 17 . 1 1 31 31 LYS N N 31 119.570 119.570 121.388 -1.818 18087 8232 1 17 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.031 0.015 18087 8233 1 17 . 1 1 31 31 LYS C C 31 179.409 179.409 178.737 0.672 18087 8234 1 17 . 1 1 31 31 LYS CA C 31 59.223 59.223 59.364 -0.141 18087 8235 1 17 . 1 1 31 31 LYS CB C 31 32.386 32.386 31.764 0.622 18087 8236 1 17 . 1 1 31 31 LYS H H 31 8.597 8.597 7.874 0.723 18087 8237 1 17 . 1 1 32 32 GLU N N 32 119.551 119.551 119.919 -0.368 18087 8238 1 17 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.235 -0.189 18087 8239 1 17 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.427 0.571 18087 8240 1 17 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.313 -0.843 18087 8241 1 17 . 1 1 32 32 GLU H H 32 7.442 7.442 7.789 -0.347 18087 8242 1 17 . 1 1 33 33 LEU N N 33 121.725 121.725 120.899 0.826 18087 8243 1 17 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.922 0.146 18087 8244 1 17 . 1 1 33 33 LEU C C 33 177.279 177.279 178.177 -0.898 18087 8245 1 17 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.207 -0.811 18087 8246 1 17 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.335 -0.750 18087 8247 1 17 . 1 1 33 33 LEU H H 33 8.579 8.579 8.113 0.466 18087 8248 1 17 . 1 1 34 34 LYS N N 34 120.543 120.543 118.412 2.131 18087 8249 1 17 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.927 -0.291 18087 8250 1 17 . 1 1 34 34 LYS C C 34 177.868 177.868 178.960 -1.092 18087 8251 1 17 . 1 1 34 34 LYS CA C 34 60.704 60.704 60.075 0.629 18087 8252 1 17 . 1 1 34 34 LYS CB C 34 31.870 31.870 32.143 -0.273 18087 8253 1 17 . 1 1 34 34 LYS H H 34 8.618 8.618 7.609 1.009 18087 8254 1 17 . 1 1 35 35 GLU N N 35 117.340 117.340 119.631 -2.291 18087 8255 1 17 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.034 -0.027 18087 8256 1 17 . 1 1 35 35 GLU C C 35 179.008 179.008 179.299 -0.291 18087 8257 1 17 . 1 1 35 35 GLU CA C 35 59.366 59.366 59.441 -0.075 18087 8258 1 17 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.820 -0.625 18087 8259 1 17 . 1 1 35 35 GLU H H 35 7.713 7.713 7.425 0.288 18087 8260 1 17 . 1 1 36 36 LEU N N 36 122.745 122.745 122.251 0.494 18087 8261 1 17 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.139 -0.126 18087 8262 1 17 . 1 1 36 36 LEU C C 36 178.646 178.646 178.355 0.291 18087 8263 1 17 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.553 -0.178 18087 8264 1 17 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.271 0.617 18087 8265 1 17 . 1 1 36 36 LEU H H 36 8.150 8.150 8.792 -0.642 18087 8266 1 17 . 1 1 37 37 LEU N N 37 118.881 118.881 120.457 -1.576 18087 8267 1 17 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.055 -0.307 18087 8268 1 17 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.696 -0.335 18087 8269 1 17 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.231 0.182 18087 8270 1 17 . 1 1 37 37 LEU H H 37 8.495 8.495 8.818 -0.323 18087 8271 1 17 . 1 1 38 38 GLN N N 38 115.311 115.311 117.078 -1.767 18087 8272 1 17 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.083 -0.294 18087 8273 1 17 . 1 1 38 38 GLN C C 38 177.826 177.826 178.173 -0.347 18087 8274 1 17 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.879 -0.019 18087 8275 1 17 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.033 0.288 18087 8276 1 17 . 1 1 38 38 GLN H H 38 8.348 8.348 7.831 0.517 18087 8277 1 17 . 1 1 39 39 THR N N 39 112.151 112.151 117.833 -5.682 18087 8278 1 17 . 1 1 39 39 THR HA H 39 4.186 4.186 4.157 0.029 18087 8279 1 17 . 1 1 39 39 THR C C 39 177.166 177.166 177.287 -0.121 18087 8280 1 17 . 1 1 39 39 THR CA C 39 65.284 65.284 66.212 -0.928 18087 8281 1 17 . 1 1 39 39 THR CB C 39 69.179 69.179 68.471 0.708 18087 8282 1 17 . 1 1 39 39 THR H H 39 7.872 7.872 8.528 -0.656 18087 8283 1 17 . 1 1 40 40 GLU N N 40 119.602 119.602 120.619 -1.017 18087 8284 1 17 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.364 0.002 18087 8285 1 17 . 1 1 40 40 GLU C C 40 178.228 178.228 178.160 0.068 18087 8286 1 17 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.297 0.326 18087 8287 1 17 . 1 1 40 40 GLU CB C 40 30.934 30.934 30.174 0.760 18087 8288 1 17 . 1 1 40 40 GLU H H 40 8.713 8.713 8.912 -0.199 18087 8289 1 17 . 1 1 41 41 LEU N N 41 118.018 118.018 120.789 -2.771 18087 8290 1 17 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.727 0.405 18087 8291 1 17 . 1 1 41 41 LEU C C 41 176.993 176.993 177.052 -0.059 18087 8292 1 17 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.735 -0.916 18087 8293 1 17 . 1 1 41 41 LEU CB C 41 41.962 41.962 41.233 0.729 18087 8294 1 17 . 1 1 41 41 LEU H H 41 8.243 8.243 8.260 -0.017 18087 8295 1 17 . 1 1 42 42 SER N N 42 114.483 114.483 117.398 -2.915 18087 8296 1 17 . 1 1 42 42 SER HA H 42 3.950 3.950 4.241 -0.291 18087 8297 1 17 . 1 1 42 42 SER C C 42 176.651 176.651 176.958 -0.307 18087 8298 1 17 . 1 1 42 42 SER CA C 42 62.225 62.225 62.517 -0.292 18087 8299 1 17 . 1 1 42 42 SER CB C 42 62.675 62.675 62.858 -0.183 18087 8300 1 17 . 1 1 42 42 SER H H 42 7.019 7.019 7.760 -0.741 18087 8301 1 17 . 1 1 43 43 GLY N N 43 109.381 109.381 108.999 0.382 18087 8302 1 17 . 1 1 43 43 GLY C C 43 176.476 176.476 175.955 0.521 18087 8303 1 17 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.879 0.140 18087 8304 1 17 . 1 1 43 43 GLY H H 43 8.666 8.666 8.698 -0.032 18087 8305 1 17 . 1 1 44 44 PHE N N 44 124.390 124.390 121.514 2.876 18087 8306 1 17 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.323 0.004 18087 8307 1 17 . 1 1 44 44 PHE C C 44 176.516 176.516 177.183 -0.667 18087 8308 1 17 . 1 1 44 44 PHE CA C 44 60.094 60.094 60.506 -0.412 18087 8309 1 17 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.772 0.452 18087 8310 1 17 . 1 1 44 44 PHE H H 44 8.226 8.226 7.620 0.606 18087 8311 1 17 . 1 1 45 45 LEU N N 45 117.156 117.156 121.235 -4.079 18087 8312 1 17 . 1 1 45 45 LEU HA H 45 3.418 3.418 3.913 -0.495 18087 8313 1 17 . 1 1 45 45 LEU C C 45 179.673 179.673 178.211 1.462 18087 8314 1 17 . 1 1 45 45 LEU CA C 45 57.522 57.522 58.197 -0.675 18087 8315 1 17 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.738 -1.124 18087 8316 1 17 . 1 1 45 45 LEU H H 45 8.627 8.627 9.058 -0.431 18087 8317 1 17 . 1 1 46 46 ASP N N 46 117.663 117.663 118.634 -0.971 18087 8318 1 17 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.322 0.023 18087 8319 1 17 . 1 1 46 46 ASP C C 46 177.844 177.844 178.574 -0.730 18087 8320 1 17 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.253 -0.469 18087 8321 1 17 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.967 0.163 18087 8322 1 17 . 1 1 46 46 ASP H H 46 7.933 7.933 8.426 -0.493 18087 8323 1 17 . 1 1 47 47 ALA N N 47 119.795 119.795 121.889 -2.094 18087 8324 1 17 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.067 0.136 18087 8325 1 17 . 1 1 47 47 ALA C C 47 179.300 179.300 179.383 -0.083 18087 8326 1 17 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.665 -1.303 18087 8327 1 17 . 1 1 47 47 ALA CB C 47 19.011 19.011 19.045 -0.034 18087 8328 1 17 . 1 1 47 47 ALA H H 47 7.380 7.380 8.098 -0.718 18087 8329 1 17 . 1 1 48 48 GLN N N 48 115.955 115.955 114.632 1.323 18087 8330 1 17 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.427 -0.157 18087 8331 1 17 . 1 1 48 48 GLN C C 48 175.355 175.355 177.332 -1.977 18087 8332 1 17 . 1 1 48 48 GLN CA C 48 54.026 54.026 55.328 -1.302 18087 8333 1 17 . 1 1 48 48 GLN CB C 48 28.560 28.560 28.039 0.521 18087 8334 1 17 . 1 1 48 48 GLN H H 48 7.369 7.369 8.339 -0.970 18087 8335 1 17 . 1 1 49 49 LYS N N 49 119.402 119.402 123.209 -3.807 18087 8336 1 17 . 1 1 49 49 LYS HA H 49 4.016 4.016 3.895 0.121 18087 8337 1 17 . 1 1 49 49 LYS C C 49 176.255 176.255 178.044 -1.789 18087 8338 1 17 . 1 1 49 49 LYS CA C 49 58.184 58.184 60.051 -1.867 18087 8339 1 17 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.112 -0.009 18087 8340 1 17 . 1 1 49 49 LYS H H 49 7.152 7.152 7.851 -0.699 18087 8341 1 17 . 1 1 50 50 ASP N N 50 117.172 117.172 118.905 -1.733 18087 8342 1 17 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.426 0.169 18087 8343 1 17 . 1 1 50 50 ASP C C 50 175.916 175.916 177.647 -1.731 18087 8344 1 17 . 1 1 50 50 ASP CA C 50 54.217 54.217 56.377 -2.160 18087 8345 1 17 . 1 1 50 50 ASP CB C 50 40.309 40.309 40.592 -0.283 18087 8346 1 17 . 1 1 50 50 ASP H H 50 8.338 8.338 8.368 -0.030 18087 8347 1 17 . 1 1 51 51 VAL N N 51 121.648 121.648 118.397 3.251 18087 8348 1 17 . 1 1 51 51 VAL HA H 51 3.997 3.997 3.705 0.292 18087 8349 1 17 . 1 1 51 51 VAL C C 51 177.128 177.128 177.004 0.124 18087 8350 1 17 . 1 1 51 51 VAL CA C 51 62.404 62.404 64.233 -1.829 18087 8351 1 17 . 1 1 51 51 VAL CB C 51 31.921 31.921 32.168 -0.247 18087 8352 1 17 . 1 1 51 51 VAL H H 51 7.604 7.604 7.579 0.025 18087 8353 1 17 . 1 1 52 52 ASP N N 52 129.202 129.202 119.517 9.685 18087 8354 1 17 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.098 0.175 18087 8355 1 17 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.129 1.054 18087 8356 1 17 . 1 1 52 52 ASP CB C 52 40.935 40.935 39.306 1.629 18087 8357 1 17 . 1 1 52 52 ASP H H 52 8.702 8.702 8.292 0.410 18087 8358 1 17 . 1 1 53 53 ALA N N 53 118.401 118.401 121.826 -3.425 18087 8359 1 17 . 1 1 53 53 ALA HA H 53 4.012 4.012 3.926 0.086 18087 8360 1 17 . 1 1 53 53 ALA C C 53 179.448 179.448 178.977 0.471 18087 8361 1 17 . 1 1 53 53 ALA CA C 53 55.053 55.053 55.117 -0.064 18087 8362 1 17 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.714 0.650 18087 8363 1 17 . 1 1 53 53 ALA H H 53 8.478 8.478 8.103 0.375 18087 8364 1 17 . 1 1 54 54 VAL N N 54 115.050 115.050 114.873 0.177 18087 8365 1 17 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.515 0.027 18087 8366 1 17 . 1 1 54 54 VAL C C 54 177.000 177.000 177.165 -0.165 18087 8367 1 17 . 1 1 54 54 VAL CA C 54 65.220 65.220 65.856 -0.636 18087 8368 1 17 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.285 0.774 18087 8369 1 17 . 1 1 54 54 VAL H H 54 6.988 6.988 7.802 -0.814 18087 8370 1 17 . 1 1 55 55 ASP N N 55 120.834 120.834 120.959 -0.125 18087 8371 1 17 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.336 -0.058 18087 8372 1 17 . 1 1 55 55 ASP C C 55 178.307 178.307 178.357 -0.050 18087 8373 1 17 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.283 0.340 18087 8374 1 17 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.766 1.011 18087 8375 1 17 . 1 1 55 55 ASP H H 55 8.157 8.157 8.156 0.001 18087 8376 1 17 . 1 1 56 56 LYS N N 56 115.672 115.672 119.573 -3.901 18087 8377 1 17 . 1 1 56 56 LYS HA H 56 3.888 3.888 3.988 -0.100 18087 8378 1 17 . 1 1 56 56 LYS C C 56 179.372 179.372 179.301 0.071 18087 8379 1 17 . 1 1 56 56 LYS CA C 56 59.608 59.608 59.453 0.155 18087 8380 1 17 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.495 -0.117 18087 8381 1 17 . 1 1 56 56 LYS H H 56 8.348 8.348 7.697 0.651 18087 8382 1 17 . 1 1 57 57 VAL N N 57 118.238 118.238 120.978 -2.740 18087 8383 1 17 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.566 0.164 18087 8384 1 17 . 1 1 57 57 VAL C C 57 177.541 177.541 177.798 -0.257 18087 8385 1 17 . 1 1 57 57 VAL CA C 57 65.702 65.702 67.001 -1.300 18087 8386 1 17 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.607 0.311 18087 8387 1 17 . 1 1 57 57 VAL H H 57 7.003 7.003 8.460 -1.457 18087 8388 1 17 . 1 1 58 58 MET N N 58 115.998 115.998 118.660 -2.662 18087 8389 1 17 . 1 1 58 58 MET HA H 58 4.313 4.313 3.981 0.332 18087 8390 1 17 . 1 1 58 58 MET C C 58 179.857 179.857 178.525 1.332 18087 8391 1 17 . 1 1 58 58 MET CA C 58 56.717 56.717 59.543 -2.826 18087 8392 1 17 . 1 1 58 58 MET CB C 58 32.366 32.366 32.150 0.216 18087 8393 1 17 . 1 1 58 58 MET H H 58 7.836 7.836 8.373 -0.537 18087 8394 1 17 . 1 1 59 59 LYS N N 59 119.682 119.682 119.814 -0.132 18087 8395 1 17 . 1 1 59 59 LYS HA H 59 4.088 4.088 3.968 0.120 18087 8396 1 17 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.190 0.252 18087 8397 1 17 . 1 1 59 59 LYS CB C 59 32.504 32.504 31.840 0.664 18087 8398 1 17 . 1 1 59 59 LYS H H 59 8.619 8.619 8.650 -0.031 18087 8399 1 17 . 1 1 60 60 GLU N N 60 119.917 119.917 120.235 -0.318 18087 8400 1 17 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.079 -0.143 18087 8401 1 17 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.329 -0.089 18087 8402 1 17 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.262 0.828 18087 8403 1 17 . 1 1 60 60 GLU H H 60 7.721 7.721 8.306 -0.585 18087 8404 1 17 . 1 1 61 61 LEU N N 61 116.614 116.614 118.831 -2.217 18087 8405 1 17 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.059 -0.036 18087 8406 1 17 . 1 1 61 61 LEU C C 61 175.845 175.845 178.880 -3.035 18087 8407 1 17 . 1 1 61 61 LEU CA C 61 56.515 56.515 57.958 -1.443 18087 8408 1 17 . 1 1 61 61 LEU CB C 61 41.218 41.218 40.917 0.301 18087 8409 1 17 . 1 1 61 61 LEU H H 61 7.429 7.429 8.348 -0.919 18087 8410 1 17 . 1 1 62 62 ASP N N 62 116.147 116.147 120.556 -4.409 18087 8411 1 17 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.290 0.233 18087 8412 1 17 . 1 1 62 62 ASP C C 62 177.790 177.790 178.430 -0.640 18087 8413 1 17 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.579 -2.153 18087 8414 1 17 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.847 1.033 18087 8415 1 17 . 1 1 62 62 ASP H H 62 7.423 7.423 8.835 -1.412 18087 8416 1 17 . 1 1 63 63 GLU N N 63 119.660 119.660 118.352 1.308 18087 8417 1 17 . 1 1 63 63 GLU HA H 63 4.136 4.136 3.940 0.196 18087 8418 1 17 . 1 1 63 63 GLU CA C 63 57.377 57.377 59.464 -2.087 18087 8419 1 17 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.539 0.450 18087 8420 1 17 . 1 1 63 63 GLU H H 63 7.837 7.837 8.264 -0.427 18087 8421 1 17 . 1 1 64 64 ASN N N 64 118.376 118.376 117.208 1.168 18087 8422 1 17 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.727 0.135 18087 8423 1 17 . 1 1 64 64 ASN C C 64 176.216 176.216 175.828 0.388 18087 8424 1 17 . 1 1 64 64 ASN CA C 64 52.688 52.688 52.058 0.630 18087 8425 1 17 . 1 1 64 64 ASN CB C 64 38.185 38.185 37.315 0.871 18087 8426 1 17 . 1 1 64 64 ASN H H 64 8.012 8.012 7.721 0.291 18087 8427 1 17 . 1 1 65 65 GLY N N 65 107.248 107.248 107.706 -0.458 18087 8428 1 17 . 1 1 65 65 GLY C C 65 173.971 173.971 175.276 -1.305 18087 8429 1 17 . 1 1 65 65 GLY CA C 65 47.136 47.136 45.256 1.880 18087 8430 1 17 . 1 1 65 65 GLY H H 65 7.989 7.989 7.980 0.009 18087 8431 1 17 . 1 1 66 66 ASP N N 66 116.989 116.989 121.666 -4.677 18087 8432 1 17 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.522 0.266 18087 8433 1 17 . 1 1 66 66 ASP C C 66 177.289 177.289 177.099 0.190 18087 8434 1 17 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.045 -1.879 18087 8435 1 17 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.026 -0.039 18087 8436 1 17 . 1 1 66 66 ASP H H 66 8.233 8.233 7.595 0.638 18087 8437 1 17 . 1 1 67 67 GLY N N 67 108.642 108.642 106.786 1.856 18087 8438 1 17 . 1 1 67 67 GLY C C 67 172.757 172.757 172.553 0.204 18087 8439 1 17 . 1 1 67 67 GLY CA C 67 45.216 45.216 44.572 0.644 18087 8440 1 17 . 1 1 67 67 GLY H H 67 8.274 8.274 7.586 0.688 18087 8441 1 17 . 1 1 68 68 GLU N N 68 118.614 118.614 118.358 0.256 18087 8442 1 17 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.371 0.584 18087 8443 1 17 . 1 1 68 68 GLU C C 68 175.881 175.881 175.442 0.439 18087 8444 1 17 . 1 1 68 68 GLU CA C 68 55.365 55.365 56.069 -0.703 18087 8445 1 17 . 1 1 68 68 GLU CB C 68 33.488 33.488 31.384 2.104 18087 8446 1 17 . 1 1 68 68 GLU H H 68 8.404 8.404 8.274 0.130 18087 8447 1 17 . 1 1 69 69 VAL N N 69 117.572 117.572 121.802 -4.230 18087 8448 1 17 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.705 0.060 18087 8449 1 17 . 1 1 69 69 VAL C C 69 174.820 174.820 174.187 0.633 18087 8450 1 17 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.709 0.242 18087 8451 1 17 . 1 1 69 69 VAL CB C 69 34.352 34.352 34.553 -0.201 18087 8452 1 17 . 1 1 69 69 VAL H H 69 9.167 9.167 9.235 -0.068 18087 8453 1 17 . 1 1 70 70 ASP N N 70 122.616 122.616 127.529 -4.913 18087 8454 1 17 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.013 0.201 18087 8455 1 17 . 1 1 70 70 ASP C C 70 175.822 175.822 176.463 -0.641 18087 8456 1 17 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.816 -1.440 18087 8457 1 17 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.522 -1.330 18087 8458 1 17 . 1 1 70 70 ASP H H 70 8.292 8.292 8.480 -0.188 18087 8459 1 17 . 1 1 71 71 PHE N N 71 119.243 119.243 119.622 -0.379 18087 8460 1 17 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.816 -1.065 18087 8461 1 17 . 1 1 71 71 PHE C C 71 176.387 176.387 177.047 -0.660 18087 8462 1 17 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.665 1.300 18087 8463 1 17 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.261 -0.121 18087 8464 1 17 . 1 1 71 71 PHE H H 71 8.889 8.889 8.578 0.311 18087 8465 1 17 . 1 1 72 72 GLN N N 72 116.655 116.655 117.215 -0.560 18087 8466 1 17 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.804 -0.097 18087 8467 1 17 . 1 1 72 72 GLN C C 72 177.102 177.102 178.500 -1.398 18087 8468 1 17 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.286 -0.011 18087 8469 1 17 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.510 -0.343 18087 8470 1 17 . 1 1 72 72 GLN H H 72 8.021 8.021 9.544 -1.523 18087 8471 1 17 . 1 1 73 73 GLU N N 73 119.195 119.195 120.091 -0.896 18087 8472 1 17 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.022 0.471 18087 8473 1 17 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.114 -3.935 18087 8474 1 17 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.725 2.089 18087 8475 1 17 . 1 1 73 73 GLU H H 73 8.066 8.066 8.269 -0.203 18087 8476 1 17 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.142 -0.056 18087 8477 1 17 . 1 1 74 74 TYR CA C 74 60.497 60.497 61.323 -0.826 18087 8478 1 17 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.570 -0.744 18087 8479 1 17 . 1 1 75 75 VAL N N 75 120.072 120.072 116.860 3.212 18087 8480 1 17 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.191 -0.208 18087 8481 1 17 . 1 1 75 75 VAL C C 75 177.295 177.295 177.578 -0.283 18087 8482 1 17 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.979 -0.287 18087 8483 1 17 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.445 0.173 18087 8484 1 17 . 1 1 75 75 VAL H H 75 8.291 8.291 8.379 -0.088 18087 8485 1 17 . 1 1 76 76 VAL N N 76 121.367 121.367 120.084 1.283 18087 8486 1 17 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.640 -0.120 18087 8487 1 17 . 1 1 76 76 VAL C C 76 178.847 178.847 177.226 1.621 18087 8488 1 17 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.826 0.727 18087 8489 1 17 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.538 -0.150 18087 8490 1 17 . 1 1 76 76 VAL H H 76 7.571 7.571 7.304 0.267 18087 8491 1 17 . 1 1 77 77 LEU N N 77 123.054 123.054 121.243 1.811 18087 8492 1 17 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.969 0.160 18087 8493 1 17 . 1 1 77 77 LEU C C 77 179.065 179.065 178.325 0.740 18087 8494 1 17 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.331 0.161 18087 8495 1 17 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.526 -0.230 18087 8496 1 17 . 1 1 77 77 LEU H H 77 7.360 7.360 8.026 -0.666 18087 8497 1 17 . 1 1 78 78 VAL N N 78 119.163 119.163 115.545 3.618 18087 8498 1 17 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.527 -0.254 18087 8499 1 17 . 1 1 78 78 VAL C C 78 180.217 180.217 177.693 2.524 18087 8500 1 17 . 1 1 78 78 VAL CA C 78 67.270 67.270 66.478 0.792 18087 8501 1 17 . 1 1 78 78 VAL CB C 78 31.181 31.181 31.035 0.146 18087 8502 1 17 . 1 1 78 78 VAL H H 78 8.192 8.192 7.971 0.221 18087 8503 1 17 . 1 1 79 79 ALA N N 79 125.884 125.884 122.888 2.996 18087 8504 1 17 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.830 -0.033 18087 8505 1 17 . 1 1 79 79 ALA C C 79 178.708 178.708 178.979 -0.271 18087 8506 1 17 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.164 0.727 18087 8507 1 17 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.724 -0.361 18087 8508 1 17 . 1 1 79 79 ALA H H 79 9.067 9.067 8.524 0.543 18087 8509 1 17 . 1 1 80 80 ALA N N 80 121.108 121.108 121.794 -0.686 18087 8510 1 17 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.904 0.220 18087 8511 1 17 . 1 1 80 80 ALA C C 80 182.175 182.175 179.587 2.588 18087 8512 1 17 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.144 0.279 18087 8513 1 17 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.062 -0.393 18087 8514 1 17 . 1 1 80 80 ALA H H 80 7.776 7.776 8.666 -0.890 18087 8515 1 17 . 1 1 81 81 LEU N N 81 118.519 118.519 118.076 0.443 18087 8516 1 17 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.939 0.179 18087 8517 1 17 . 1 1 81 81 LEU C C 81 177.959 177.959 179.355 -1.396 18087 8518 1 17 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.495 -0.006 18087 8519 1 17 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.652 0.517 18087 8520 1 17 . 1 1 81 81 LEU H H 81 8.097 8.097 7.761 0.336 18087 8521 1 17 . 1 1 82 82 THR N N 82 119.572 119.572 115.760 3.812 18087 8522 1 17 . 1 1 82 82 THR HA H 82 3.777 3.777 2.735 1.042 18087 8523 1 17 . 1 1 82 82 THR C C 82 176.911 176.911 176.443 0.468 18087 8524 1 17 . 1 1 82 82 THR CA C 82 68.058 68.058 65.680 2.378 18087 8525 1 17 . 1 1 82 82 THR CB C 82 67.402 67.402 67.860 -0.458 18087 8526 1 17 . 1 1 82 82 THR H H 82 8.537 8.537 8.142 0.395 18087 8527 1 17 . 1 1 83 83 VAL N N 83 123.805 123.805 121.766 2.039 18087 8528 1 17 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.421 0.309 18087 8529 1 17 . 1 1 83 83 VAL C C 83 177.787 177.787 176.520 1.267 18087 8530 1 17 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.771 1.623 18087 8531 1 17 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.245 0.446 18087 8532 1 17 . 1 1 83 83 VAL H H 83 8.283 8.283 8.552 -0.269 18087 8533 1 17 . 1 1 84 84 ALA N N 84 121.134 121.134 121.906 -0.772 18087 8534 1 17 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.794 0.442 18087 8535 1 17 . 1 1 84 84 ALA C C 84 180.511 180.511 179.375 1.136 18087 8536 1 17 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.114 0.062 18087 8537 1 17 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.126 -0.699 18087 8538 1 17 . 1 1 84 84 ALA H H 84 7.466 7.466 7.517 -0.051 18087 8539 1 17 . 1 1 85 85 MET N N 85 121.755 121.755 118.282 3.473 18087 8540 1 17 . 1 1 85 85 MET HA H 85 3.796 3.796 3.934 -0.138 18087 8541 1 17 . 1 1 85 85 MET CA C 85 59.656 59.656 56.941 2.715 18087 8542 1 17 . 1 1 85 85 MET CB C 85 33.653 33.653 32.424 1.229 18087 8543 1 17 . 1 1 85 85 MET H H 85 8.549 8.549 7.354 1.195 18087 8544 1 17 . 1 1 86 86 ASN N N 86 119.410 119.410 118.359 1.051 18087 8545 1 17 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.104 0.048 18087 8546 1 17 . 1 1 86 86 ASN C C 86 176.834 176.834 176.607 0.227 18087 8547 1 17 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.427 1.635 18087 8548 1 17 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.178 1.752 18087 8549 1 17 . 1 1 86 86 ASN H H 86 8.615 8.615 8.511 0.104 18087 8550 1 17 . 1 1 87 87 ASN N N 87 117.077 117.077 118.567 -1.490 18087 8551 1 17 . 1 1 87 87 ASN HA H 87 4.446 4.446 3.645 0.801 18087 8552 1 17 . 1 1 87 87 ASN C C 87 176.906 176.906 176.858 0.048 18087 8553 1 17 . 1 1 87 87 ASN CA C 87 55.602 55.602 55.863 -0.261 18087 8554 1 17 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.254 -0.678 18087 8555 1 17 . 1 1 87 87 ASN H H 87 8.286 8.286 7.939 0.347 18087 8556 1 17 . 1 1 88 88 PHE N N 88 119.698 119.698 121.152 -1.454 18087 8557 1 17 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.148 0.330 18087 8558 1 17 . 1 1 88 88 PHE C C 88 177.057 177.057 177.137 -0.080 18087 8559 1 17 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.596 -2.050 18087 8560 1 17 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.788 0.824 18087 8561 1 17 . 1 1 88 88 PHE H H 88 7.909 7.909 7.576 0.333 18087 8562 1 17 . 1 1 89 89 PHE N N 89 116.219 116.219 119.556 -3.337 18087 8563 1 17 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.213 -0.003 18087 8564 1 17 . 1 1 89 89 PHE C C 89 177.637 177.637 178.059 -0.422 18087 8565 1 17 . 1 1 89 89 PHE CA C 89 58.752 58.752 59.195 -0.443 18087 8566 1 17 . 1 1 89 89 PHE CB C 89 39.781 39.781 37.942 1.839 18087 8567 1 17 . 1 1 89 89 PHE H H 89 8.049 8.049 7.737 0.312 18087 8568 1 17 . 1 1 90 90 TRP N N 90 117.712 117.712 117.825 -0.113 18087 8569 1 17 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.496 0.032 18087 8570 1 17 . 1 1 90 90 TRP C C 90 176.741 176.741 178.881 -2.140 18087 8571 1 17 . 1 1 90 90 TRP CA C 90 58.109 58.109 56.774 1.335 18087 8572 1 17 . 1 1 90 90 TRP CB C 90 29.720 29.720 28.579 1.141 18087 8573 1 17 . 1 1 90 90 TRP H H 90 8.257 8.257 8.543 -0.286 18087 8574 1 17 . 1 1 91 91 GLU N N 91 120.493 120.493 117.998 2.495 18087 8575 1 17 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.168 0.260 18087 8576 1 17 . 1 1 91 91 GLU C C 91 176.393 176.393 176.937 -0.544 18087 8577 1 17 . 1 1 91 91 GLU CA C 91 57.193 57.193 58.219 -1.026 18087 8578 1 17 . 1 1 91 91 GLU CB C 91 29.850 29.850 30.132 -0.282 18087 8579 1 17 . 1 1 91 91 GLU H H 91 7.988 7.988 8.345 -0.357 18087 8580 1 17 . 1 1 92 92 ASN N N 92 119.006 119.006 118.693 0.313 18087 8581 1 17 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.572 0.215 18087 8582 1 17 . 1 1 92 92 ASN C C 92 174.284 174.284 173.586 0.698 18087 8583 1 17 . 1 1 92 92 ASN CA C 92 53.198 53.198 53.211 -0.013 18087 8584 1 17 . 1 1 92 92 ASN CB C 92 39.233 39.233 37.868 1.365 18087 8585 1 17 . 1 1 92 92 ASN H H 92 8.203 8.203 8.225 -0.022 18087 8586 1 18 . 1 1 2 2 SER N N 2 117.254 117.254 116.767 0.487 18087 8587 1 18 . 1 1 2 2 SER HA H 2 4.737 4.737 4.510 0.227 18087 8588 1 18 . 1 1 2 2 SER C C 2 175.320 175.320 175.516 -0.196 18087 8589 1 18 . 1 1 2 2 SER CA C 2 57.476 57.476 57.355 0.121 18087 8590 1 18 . 1 1 2 2 SER CB C 2 64.594 64.594 64.360 0.234 18087 8591 1 18 . 1 1 2 2 SER H H 2 8.686 8.686 7.690 0.996 18087 8592 1 18 . 1 1 3 3 GLU N N 3 124.640 124.640 120.472 4.168 18087 8593 1 18 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.064 0.044 18087 8594 1 18 . 1 1 3 3 GLU C C 3 178.972 178.972 178.557 0.415 18087 8595 1 18 . 1 1 3 3 GLU CA C 3 60.375 60.375 59.236 1.139 18087 8596 1 18 . 1 1 3 3 GLU CB C 3 29.744 29.744 28.997 0.747 18087 8597 1 18 . 1 1 3 3 GLU H H 3 9.242 9.242 8.717 0.525 18087 8598 1 18 . 1 1 4 4 LEU N N 4 119.682 119.682 120.771 -1.089 18087 8599 1 18 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.057 -0.105 18087 8600 1 18 . 1 1 4 4 LEU C C 4 178.027 178.027 178.709 -0.682 18087 8601 1 18 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.039 0.140 18087 8602 1 18 . 1 1 4 4 LEU CB C 4 42.308 42.308 41.241 1.067 18087 8603 1 18 . 1 1 4 4 LEU H H 4 8.952 8.952 8.154 0.798 18087 8604 1 18 . 1 1 5 5 GLU N N 5 118.542 118.542 118.414 0.128 18087 8605 1 18 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.014 -0.223 18087 8606 1 18 . 1 1 5 5 GLU C C 5 178.389 178.389 179.001 -0.612 18087 8607 1 18 . 1 1 5 5 GLU CA C 5 60.051 60.051 59.887 0.164 18087 8608 1 18 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.542 0.441 18087 8609 1 18 . 1 1 5 5 GLU H H 5 7.968 7.968 8.220 -0.252 18087 8610 1 18 . 1 1 6 6 THR N N 6 114.278 114.278 117.229 -2.951 18087 8611 1 18 . 1 1 6 6 THR HA H 6 4.015 4.015 4.028 -0.013 18087 8612 1 18 . 1 1 6 6 THR C C 6 176.990 176.990 177.025 -0.035 18087 8613 1 18 . 1 1 6 6 THR CA C 6 66.450 66.450 66.662 -0.212 18087 8614 1 18 . 1 1 6 6 THR CB C 6 68.637 68.637 68.649 -0.012 18087 8615 1 18 . 1 1 6 6 THR H H 6 8.177 8.177 7.596 0.581 18087 8616 1 18 . 1 1 7 7 ALA N N 7 126.659 126.659 126.119 0.540 18087 8617 1 18 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.067 0.096 18087 8618 1 18 . 1 1 7 7 ALA C C 7 179.338 179.338 179.492 -0.154 18087 8619 1 18 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.306 0.509 18087 8620 1 18 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.294 -0.111 18087 8621 1 18 . 1 1 7 7 ALA H H 7 8.166 8.166 8.975 -0.809 18087 8622 1 18 . 1 1 8 8 MET N N 8 117.727 117.727 117.255 0.472 18087 8623 1 18 . 1 1 8 8 MET HA H 8 3.731 3.731 4.308 -0.577 18087 8624 1 18 . 1 1 8 8 MET C C 8 178.071 178.071 179.094 -1.023 18087 8625 1 18 . 1 1 8 8 MET CA C 8 60.447 60.447 57.070 3.377 18087 8626 1 18 . 1 1 8 8 MET CB C 8 34.928 34.928 31.394 3.534 18087 8627 1 18 . 1 1 8 8 MET H H 8 8.090 8.090 8.453 -0.363 18087 8628 1 18 . 1 1 9 9 GLU N N 9 117.303 117.303 120.603 -3.300 18087 8629 1 18 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.949 -0.042 18087 8630 1 18 . 1 1 9 9 GLU C C 9 179.261 179.261 178.996 0.265 18087 8631 1 18 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.770 0.260 18087 8632 1 18 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.461 0.038 18087 8633 1 18 . 1 1 9 9 GLU H H 9 8.603 8.603 8.947 -0.344 18087 8634 1 18 . 1 1 10 10 THR N N 10 117.583 117.583 118.259 -0.676 18087 8635 1 18 . 1 1 10 10 THR HA H 10 4.088 4.088 4.054 0.034 18087 8636 1 18 . 1 1 10 10 THR C C 10 175.758 175.758 176.676 -0.918 18087 8637 1 18 . 1 1 10 10 THR CA C 10 67.439 67.439 67.632 -0.193 18087 8638 1 18 . 1 1 10 10 THR CB C 10 68.014 68.014 68.575 -0.561 18087 8639 1 18 . 1 1 10 10 THR H H 10 8.483 8.483 8.837 -0.354 18087 8640 1 18 . 1 1 11 11 LEU N N 11 119.623 119.623 122.029 -2.406 18087 8641 1 18 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.300 -0.330 18087 8642 1 18 . 1 1 11 11 LEU C C 11 178.935 178.935 179.202 -0.267 18087 8643 1 18 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.485 0.690 18087 8644 1 18 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.710 0.151 18087 8645 1 18 . 1 1 11 11 LEU H H 11 8.013 8.013 8.130 -0.117 18087 8646 1 18 . 1 1 12 12 ILE N N 12 119.751 119.751 120.499 -0.748 18087 8647 1 18 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.513 0.480 18087 8648 1 18 . 1 1 12 12 ILE C C 12 177.717 177.717 178.316 -0.599 18087 8649 1 18 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.258 1.490 18087 8650 1 18 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.329 2.937 18087 8651 1 18 . 1 1 12 12 ILE H H 12 7.708 7.708 8.683 -0.975 18087 8652 1 18 . 1 1 13 13 ASN N N 13 121.260 121.260 119.546 1.714 18087 8653 1 18 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.572 -0.005 18087 8654 1 18 . 1 1 13 13 ASN C C 13 178.941 178.941 178.363 0.578 18087 8655 1 18 . 1 1 13 13 ASN CA C 13 56.339 56.339 56.662 -0.323 18087 8656 1 18 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.114 -0.020 18087 8657 1 18 . 1 1 13 13 ASN H H 13 9.125 9.125 8.902 0.223 18087 8658 1 18 . 1 1 14 14 VAL N N 14 120.868 120.868 120.929 -0.061 18087 8659 1 18 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.721 0.146 18087 8660 1 18 . 1 1 14 14 VAL C C 14 177.827 177.827 177.964 -0.137 18087 8661 1 18 . 1 1 14 14 VAL CA C 14 66.715 66.715 67.081 -0.366 18087 8662 1 18 . 1 1 14 14 VAL CB C 14 31.902 31.902 32.001 -0.099 18087 8663 1 18 . 1 1 14 14 VAL H H 14 8.965 8.965 8.346 0.619 18087 8664 1 18 . 1 1 15 15 PHE N N 15 117.672 117.672 121.202 -3.530 18087 8665 1 18 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.863 -0.417 18087 8666 1 18 . 1 1 15 15 PHE C C 15 177.713 177.713 177.531 0.182 18087 8667 1 18 . 1 1 15 15 PHE CA C 15 62.441 62.441 61.961 0.480 18087 8668 1 18 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.327 -0.146 18087 8669 1 18 . 1 1 15 15 PHE H H 15 6.968 6.968 8.904 -1.936 18087 8670 1 18 . 1 1 16 16 HIS N N 16 115.122 115.122 120.503 -5.381 18087 8671 1 18 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.429 -0.060 18087 8672 1 18 . 1 1 16 16 HIS C C 16 176.987 176.987 177.498 -0.511 18087 8673 1 18 . 1 1 16 16 HIS CA C 16 58.413 58.413 58.110 0.303 18087 8674 1 18 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.771 -1.511 18087 8675 1 18 . 1 1 16 16 HIS H H 16 8.020 8.020 9.421 -1.401 18087 8676 1 18 . 1 1 17 17 ALA N N 17 122.533 122.533 121.479 1.054 18087 8677 1 18 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.810 0.307 18087 8678 1 18 . 1 1 17 17 ALA CA C 17 54.064 54.064 54.910 -0.847 18087 8679 1 18 . 1 1 17 17 ALA CB C 17 17.908 17.908 17.988 -0.080 18087 8680 1 18 . 1 1 17 17 ALA H H 17 8.282 8.282 8.765 -0.483 18087 8681 1 18 . 1 1 18 18 HIS N N 18 113.127 113.127 116.210 -3.083 18087 8682 1 18 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.285 0.123 18087 8683 1 18 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.357 -2.109 18087 8684 1 18 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.641 1.621 18087 8685 1 18 . 1 1 18 18 HIS H H 18 7.124 7.124 8.053 -0.929 18087 8686 1 18 . 1 1 19 19 SER HA H 19 3.963 3.963 4.251 -0.288 18087 8687 1 18 . 1 1 19 19 SER CA C 19 59.969 59.969 62.231 -2.262 18087 8688 1 18 . 1 1 19 19 SER CB C 19 62.416 62.416 62.605 -0.189 18087 8689 1 18 . 1 1 20 20 GLY N N 20 107.243 107.243 108.667 -1.424 18087 8690 1 18 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.363 -0.249 18087 8691 1 18 . 1 1 20 20 GLY H H 20 7.915 7.915 7.856 0.059 18087 8692 1 18 . 1 1 21 21 LYS HA H 21 3.957 3.957 3.995 -0.038 18087 8693 1 18 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.709 -0.664 18087 8694 1 18 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.326 -0.389 18087 8695 1 18 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.102 -0.060 18087 8696 1 18 . 1 1 22 22 GLU CA C 22 58.755 58.755 58.197 0.558 18087 8697 1 18 . 1 1 22 22 GLU CB C 22 30.184 30.184 29.991 0.193 18087 8698 1 18 . 1 1 23 23 GLY N N 23 111.113 111.113 106.821 4.292 18087 8699 1 18 . 1 1 23 23 GLY CA C 23 46.790 46.790 44.845 1.945 18087 8700 1 18 . 1 1 23 23 GLY H H 23 8.435 8.435 7.904 0.531 18087 8701 1 18 . 1 1 24 24 ASP N N 24 123.994 123.994 121.693 2.301 18087 8702 1 18 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.440 0.056 18087 8703 1 18 . 1 1 24 24 ASP CA C 24 54.286 54.286 56.176 -1.891 18087 8704 1 18 . 1 1 24 24 ASP CB C 24 42.002 42.002 41.506 0.496 18087 8705 1 18 . 1 1 24 24 ASP H H 24 8.501 8.501 9.056 -0.555 18087 8706 1 18 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.255 0.187 18087 8707 1 18 . 1 1 25 25 LYS CA C 25 56.523 56.523 56.132 0.391 18087 8708 1 18 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.241 1.030 18087 8709 1 18 . 1 1 26 26 TYR N N 26 119.967 119.967 119.711 0.256 18087 8710 1 18 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.635 0.158 18087 8711 1 18 . 1 1 26 26 TYR CA C 26 57.019 57.019 58.147 -1.128 18087 8712 1 18 . 1 1 26 26 TYR CB C 26 38.431 38.431 37.559 0.872 18087 8713 1 18 . 1 1 26 26 TYR H H 26 8.712 8.712 7.827 0.885 18087 8714 1 18 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.879 0.420 18087 8715 1 18 . 1 1 27 27 LYS C C 27 174.308 174.308 173.940 0.368 18087 8716 1 18 . 1 1 27 27 LYS CA C 27 54.365 54.365 54.167 0.198 18087 8717 1 18 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.525 -0.131 18087 8718 1 18 . 1 1 28 28 LEU N N 28 121.194 121.194 122.935 -1.741 18087 8719 1 18 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.535 0.185 18087 8720 1 18 . 1 1 28 28 LEU C C 28 178.895 178.895 174.504 4.391 18087 8721 1 18 . 1 1 28 28 LEU CA C 28 52.968 52.968 53.230 -0.262 18087 8722 1 18 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.310 0.901 18087 8723 1 18 . 1 1 28 28 LEU H H 28 8.632 8.632 8.428 0.204 18087 8724 1 18 . 1 1 29 29 SER N N 29 119.705 119.705 121.352 -1.647 18087 8725 1 18 . 1 1 29 29 SER HA H 29 4.987 4.987 4.794 0.193 18087 8726 1 18 . 1 1 29 29 SER C C 29 175.742 175.742 175.364 0.378 18087 8727 1 18 . 1 1 29 29 SER CA C 29 57.873 57.873 57.415 0.458 18087 8728 1 18 . 1 1 29 29 SER CB C 29 64.531 64.531 65.244 -0.713 18087 8729 1 18 . 1 1 29 29 SER H H 29 8.901 8.901 8.435 0.466 18087 8730 1 18 . 1 1 30 30 LYS N N 30 124.208 124.208 122.780 1.428 18087 8731 1 18 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.107 -0.293 18087 8732 1 18 . 1 1 30 30 LYS C C 30 178.469 178.469 178.395 0.074 18087 8733 1 18 . 1 1 30 30 LYS CA C 30 61.433 61.433 58.211 3.222 18087 8734 1 18 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.621 0.648 18087 8735 1 18 . 1 1 30 30 LYS H H 30 8.836 8.836 8.950 -0.114 18087 8736 1 18 . 1 1 31 31 LYS N N 31 119.570 119.570 119.946 -0.376 18087 8737 1 18 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.088 -0.042 18087 8738 1 18 . 1 1 31 31 LYS C C 31 179.409 179.409 178.325 1.084 18087 8739 1 18 . 1 1 31 31 LYS CA C 31 59.223 59.223 59.624 -0.401 18087 8740 1 18 . 1 1 31 31 LYS CB C 31 32.386 32.386 32.026 0.360 18087 8741 1 18 . 1 1 31 31 LYS H H 31 8.597 8.597 8.249 0.348 18087 8742 1 18 . 1 1 32 32 GLU N N 32 119.551 119.551 117.831 1.720 18087 8743 1 18 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.372 -0.326 18087 8744 1 18 . 1 1 32 32 GLU CA C 32 58.998 58.998 57.150 1.848 18087 8745 1 18 . 1 1 32 32 GLU CB C 32 28.470 28.470 30.359 -1.889 18087 8746 1 18 . 1 1 32 32 GLU H H 32 7.442 7.442 7.587 -0.145 18087 8747 1 18 . 1 1 33 33 LEU N N 33 121.725 121.725 122.314 -0.589 18087 8748 1 18 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.932 0.136 18087 8749 1 18 . 1 1 33 33 LEU C C 33 177.279 177.279 178.277 -0.998 18087 8750 1 18 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.417 -1.021 18087 8751 1 18 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.635 -1.050 18087 8752 1 18 . 1 1 33 33 LEU H H 33 8.579 8.579 8.429 0.150 18087 8753 1 18 . 1 1 34 34 LYS N N 34 120.543 120.543 117.902 2.641 18087 8754 1 18 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.989 -0.353 18087 8755 1 18 . 1 1 34 34 LYS C C 34 177.868 177.868 179.051 -1.183 18087 8756 1 18 . 1 1 34 34 LYS CA C 34 60.704 60.704 59.291 1.413 18087 8757 1 18 . 1 1 34 34 LYS CB C 34 31.870 31.870 31.689 0.181 18087 8758 1 18 . 1 1 34 34 LYS H H 34 8.618 8.618 7.473 1.145 18087 8759 1 18 . 1 1 35 35 GLU N N 35 117.340 117.340 119.422 -2.082 18087 8760 1 18 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.061 -0.054 18087 8761 1 18 . 1 1 35 35 GLU C C 35 179.008 179.008 179.372 -0.364 18087 8762 1 18 . 1 1 35 35 GLU CA C 35 59.366 59.366 59.379 -0.013 18087 8763 1 18 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.289 -0.094 18087 8764 1 18 . 1 1 35 35 GLU H H 35 7.713 7.713 7.904 -0.191 18087 8765 1 18 . 1 1 36 36 LEU N N 36 122.745 122.745 119.326 3.419 18087 8766 1 18 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.142 -0.129 18087 8767 1 18 . 1 1 36 36 LEU C C 36 178.646 178.646 178.953 -0.307 18087 8768 1 18 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.363 0.013 18087 8769 1 18 . 1 1 36 36 LEU CB C 36 41.888 41.888 40.793 1.095 18087 8770 1 18 . 1 1 36 36 LEU H H 36 8.150 8.150 8.417 -0.267 18087 8771 1 18 . 1 1 37 37 LEU N N 37 118.881 118.881 121.123 -2.242 18087 8772 1 18 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.085 -0.337 18087 8773 1 18 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.472 -0.111 18087 8774 1 18 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.290 0.123 18087 8775 1 18 . 1 1 37 37 LEU H H 37 8.495 8.495 8.398 0.097 18087 8776 1 18 . 1 1 38 38 GLN N N 38 115.311 115.311 117.105 -1.794 18087 8777 1 18 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.082 -0.293 18087 8778 1 18 . 1 1 38 38 GLN C C 38 177.826 177.826 178.100 -0.274 18087 8779 1 18 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.752 0.108 18087 8780 1 18 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.162 0.159 18087 8781 1 18 . 1 1 38 38 GLN H H 38 8.348 8.348 8.232 0.116 18087 8782 1 18 . 1 1 39 39 THR N N 39 112.151 112.151 116.733 -4.582 18087 8783 1 18 . 1 1 39 39 THR HA H 39 4.186 4.186 4.007 0.179 18087 8784 1 18 . 1 1 39 39 THR C C 39 177.166 177.166 177.317 -0.151 18087 8785 1 18 . 1 1 39 39 THR CA C 39 65.284 65.284 66.853 -1.569 18087 8786 1 18 . 1 1 39 39 THR CB C 39 69.179 69.179 68.667 0.512 18087 8787 1 18 . 1 1 39 39 THR H H 39 7.872 7.872 8.230 -0.358 18087 8788 1 18 . 1 1 40 40 GLU N N 40 119.602 119.602 120.405 -0.803 18087 8789 1 18 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.333 0.033 18087 8790 1 18 . 1 1 40 40 GLU C C 40 178.228 178.228 178.581 -0.353 18087 8791 1 18 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.061 0.562 18087 8792 1 18 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.826 1.109 18087 8793 1 18 . 1 1 40 40 GLU H H 40 8.713 8.713 8.872 -0.159 18087 8794 1 18 . 1 1 41 41 LEU N N 41 118.018 118.018 121.900 -3.882 18087 8795 1 18 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.710 0.422 18087 8796 1 18 . 1 1 41 41 LEU C C 41 176.993 176.993 176.800 0.193 18087 8797 1 18 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.817 -0.998 18087 8798 1 18 . 1 1 41 41 LEU CB C 41 41.962 41.962 40.432 1.530 18087 8799 1 18 . 1 1 41 41 LEU H H 41 8.243 8.243 8.005 0.238 18087 8800 1 18 . 1 1 42 42 SER N N 42 114.483 114.483 117.279 -2.796 18087 8801 1 18 . 1 1 42 42 SER HA H 42 3.950 3.950 4.329 -0.379 18087 8802 1 18 . 1 1 42 42 SER C C 42 176.651 176.651 176.963 -0.312 18087 8803 1 18 . 1 1 42 42 SER CA C 42 62.225 62.225 62.549 -0.324 18087 8804 1 18 . 1 1 42 42 SER CB C 42 62.675 62.675 63.069 -0.394 18087 8805 1 18 . 1 1 42 42 SER H H 42 7.019 7.019 7.576 -0.557 18087 8806 1 18 . 1 1 43 43 GLY N N 43 109.381 109.381 109.544 -0.163 18087 8807 1 18 . 1 1 43 43 GLY C C 43 176.476 176.476 175.707 0.769 18087 8808 1 18 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.809 0.210 18087 8809 1 18 . 1 1 43 43 GLY H H 43 8.666 8.666 8.737 -0.071 18087 8810 1 18 . 1 1 44 44 PHE N N 44 124.390 124.390 121.443 2.947 18087 8811 1 18 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.789 -0.462 18087 8812 1 18 . 1 1 44 44 PHE C C 44 176.516 176.516 178.028 -1.512 18087 8813 1 18 . 1 1 44 44 PHE CA C 44 60.094 60.094 60.439 -0.345 18087 8814 1 18 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.793 0.431 18087 8815 1 18 . 1 1 44 44 PHE H H 44 8.226 8.226 7.818 0.408 18087 8816 1 18 . 1 1 45 45 LEU N N 45 117.156 117.156 121.037 -3.881 18087 8817 1 18 . 1 1 45 45 LEU HA H 45 3.418 3.418 4.009 -0.591 18087 8818 1 18 . 1 1 45 45 LEU C C 45 179.673 179.673 178.835 0.838 18087 8819 1 18 . 1 1 45 45 LEU CA C 45 57.522 57.522 58.215 -0.693 18087 8820 1 18 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.557 -0.943 18087 8821 1 18 . 1 1 45 45 LEU H H 45 8.627 8.627 9.002 -0.375 18087 8822 1 18 . 1 1 46 46 ASP N N 46 117.663 117.663 119.939 -2.276 18087 8823 1 18 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.347 -0.002 18087 8824 1 18 . 1 1 46 46 ASP C C 46 177.844 177.844 178.625 -0.781 18087 8825 1 18 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.361 -0.577 18087 8826 1 18 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.922 0.208 18087 8827 1 18 . 1 1 46 46 ASP H H 46 7.933 7.933 8.538 -0.605 18087 8828 1 18 . 1 1 47 47 ALA N N 47 119.795 119.795 121.707 -1.912 18087 8829 1 18 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.172 0.031 18087 8830 1 18 . 1 1 47 47 ALA C C 47 179.300 179.300 179.923 -0.623 18087 8831 1 18 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.643 -1.281 18087 8832 1 18 . 1 1 47 47 ALA CB C 47 19.011 19.011 18.681 0.330 18087 8833 1 18 . 1 1 47 47 ALA H H 47 7.380 7.380 8.036 -0.656 18087 8834 1 18 . 1 1 48 48 GLN N N 48 115.955 115.955 116.098 -0.143 18087 8835 1 18 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.292 -0.022 18087 8836 1 18 . 1 1 48 48 GLN C C 48 175.355 175.355 178.193 -2.838 18087 8837 1 18 . 1 1 48 48 GLN CA C 48 54.026 54.026 56.142 -2.115 18087 8838 1 18 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.642 0.918 18087 8839 1 18 . 1 1 48 48 GLN H H 48 7.369 7.369 8.785 -1.416 18087 8840 1 18 . 1 1 49 49 LYS N N 49 119.402 119.402 120.218 -0.816 18087 8841 1 18 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.169 -0.153 18087 8842 1 18 . 1 1 49 49 LYS C C 49 176.255 176.255 177.355 -1.100 18087 8843 1 18 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.159 -0.975 18087 8844 1 18 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.477 -0.374 18087 8845 1 18 . 1 1 49 49 LYS H H 49 7.152 7.152 7.389 -0.237 18087 8846 1 18 . 1 1 50 50 ASP N N 50 117.172 117.172 117.883 -0.711 18087 8847 1 18 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.887 -0.292 18087 8848 1 18 . 1 1 50 50 ASP C C 50 175.916 175.916 174.920 0.996 18087 8849 1 18 . 1 1 50 50 ASP CA C 50 54.217 54.217 53.503 0.714 18087 8850 1 18 . 1 1 50 50 ASP CB C 50 40.309 40.309 40.964 -0.655 18087 8851 1 18 . 1 1 50 50 ASP H H 50 8.338 8.338 8.123 0.215 18087 8852 1 18 . 1 1 51 51 VAL N N 51 121.648 121.648 120.005 1.643 18087 8853 1 18 . 1 1 51 51 VAL HA H 51 3.997 3.997 4.243 -0.246 18087 8854 1 18 . 1 1 51 51 VAL C C 51 177.128 177.128 175.605 1.523 18087 8855 1 18 . 1 1 51 51 VAL CA C 51 62.404 62.404 61.408 0.996 18087 8856 1 18 . 1 1 51 51 VAL CB C 51 31.921 31.921 34.321 -2.400 18087 8857 1 18 . 1 1 51 51 VAL H H 51 7.604 7.604 7.173 0.431 18087 8858 1 18 . 1 1 52 52 ASP N N 52 129.202 129.202 127.494 1.708 18087 8859 1 18 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.374 -0.101 18087 8860 1 18 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.201 0.982 18087 8861 1 18 . 1 1 52 52 ASP CB C 52 40.935 40.935 41.181 -0.246 18087 8862 1 18 . 1 1 52 52 ASP H H 52 8.702 8.702 8.956 -0.254 18087 8863 1 18 . 1 1 53 53 ALA N N 53 118.401 118.401 122.437 -4.036 18087 8864 1 18 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.060 -0.048 18087 8865 1 18 . 1 1 53 53 ALA C C 53 179.448 179.448 179.291 0.157 18087 8866 1 18 . 1 1 53 53 ALA CA C 53 55.053 55.053 55.080 -0.027 18087 8867 1 18 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.249 1.115 18087 8868 1 18 . 1 1 53 53 ALA H H 53 8.478 8.478 8.358 0.120 18087 8869 1 18 . 1 1 54 54 VAL N N 54 115.050 115.050 117.813 -2.763 18087 8870 1 18 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.619 -0.077 18087 8871 1 18 . 1 1 54 54 VAL C C 54 177.000 177.000 177.000 0.000 18087 8872 1 18 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.439 -1.219 18087 8873 1 18 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.648 0.411 18087 8874 1 18 . 1 1 54 54 VAL H H 54 6.988 6.988 7.979 -0.991 18087 8875 1 18 . 1 1 55 55 ASP N N 55 120.834 120.834 118.932 1.902 18087 8876 1 18 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.349 -0.071 18087 8877 1 18 . 1 1 55 55 ASP C C 55 178.307 178.307 178.151 0.156 18087 8878 1 18 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.487 0.136 18087 8879 1 18 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.636 1.141 18087 8880 1 18 . 1 1 55 55 ASP H H 55 8.157 8.157 7.979 0.178 18087 8881 1 18 . 1 1 56 56 LYS N N 56 115.672 115.672 119.385 -3.713 18087 8882 1 18 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.100 -0.212 18087 8883 1 18 . 1 1 56 56 LYS C C 56 179.372 179.372 179.304 0.068 18087 8884 1 18 . 1 1 56 56 LYS CA C 56 59.608 59.608 58.731 0.877 18087 8885 1 18 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.091 0.287 18087 8886 1 18 . 1 1 56 56 LYS H H 56 8.348 8.348 7.431 0.917 18087 8887 1 18 . 1 1 57 57 VAL N N 57 118.238 118.238 120.926 -2.688 18087 8888 1 18 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.708 0.021 18087 8889 1 18 . 1 1 57 57 VAL C C 57 177.541 177.541 178.148 -0.607 18087 8890 1 18 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.216 -0.514 18087 8891 1 18 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.038 0.880 18087 8892 1 18 . 1 1 57 57 VAL H H 57 7.003 7.003 8.654 -1.651 18087 8893 1 18 . 1 1 58 58 MET N N 58 115.998 115.998 119.700 -3.702 18087 8894 1 18 . 1 1 58 58 MET HA H 58 4.313 4.313 4.020 0.293 18087 8895 1 18 . 1 1 58 58 MET C C 58 179.857 179.857 177.869 1.988 18087 8896 1 18 . 1 1 58 58 MET CA C 58 56.717 56.717 59.637 -2.920 18087 8897 1 18 . 1 1 58 58 MET CB C 58 32.366 32.366 32.367 -0.001 18087 8898 1 18 . 1 1 58 58 MET H H 58 7.836 7.836 9.020 -1.184 18087 8899 1 18 . 1 1 59 59 LYS N N 59 119.682 119.682 120.281 -0.599 18087 8900 1 18 . 1 1 59 59 LYS HA H 59 4.088 4.088 3.958 0.130 18087 8901 1 18 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.537 -0.095 18087 8902 1 18 . 1 1 59 59 LYS CB C 59 32.504 32.504 31.888 0.616 18087 8903 1 18 . 1 1 59 59 LYS H H 59 8.619 8.619 8.499 0.120 18087 8904 1 18 . 1 1 60 60 GLU N N 60 119.917 119.917 119.573 0.344 18087 8905 1 18 . 1 1 60 60 GLU HA H 60 3.936 3.936 3.967 -0.031 18087 8906 1 18 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.625 -0.385 18087 8907 1 18 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.561 0.528 18087 8908 1 18 . 1 1 60 60 GLU H H 60 7.721 7.721 8.062 -0.341 18087 8909 1 18 . 1 1 61 61 LEU N N 61 116.614 116.614 120.007 -3.393 18087 8910 1 18 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.317 -0.294 18087 8911 1 18 . 1 1 61 61 LEU C C 61 175.845 175.845 179.382 -3.537 18087 8912 1 18 . 1 1 61 61 LEU CA C 61 56.515 56.515 58.000 -1.485 18087 8913 1 18 . 1 1 61 61 LEU CB C 61 41.218 41.218 41.264 -0.046 18087 8914 1 18 . 1 1 61 61 LEU H H 61 7.429 7.429 8.216 -0.787 18087 8915 1 18 . 1 1 62 62 ASP N N 62 116.147 116.147 120.184 -4.037 18087 8916 1 18 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.349 0.174 18087 8917 1 18 . 1 1 62 62 ASP C C 62 177.790 177.790 179.099 -1.309 18087 8918 1 18 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.736 -2.310 18087 8919 1 18 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.915 0.965 18087 8920 1 18 . 1 1 62 62 ASP H H 62 7.423 7.423 8.716 -1.293 18087 8921 1 18 . 1 1 63 63 GLU N N 63 119.660 119.660 118.917 0.743 18087 8922 1 18 . 1 1 63 63 GLU HA H 63 4.136 4.136 4.053 0.083 18087 8923 1 18 . 1 1 63 63 GLU CA C 63 57.377 57.377 59.282 -1.905 18087 8924 1 18 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.324 0.665 18087 8925 1 18 . 1 1 63 63 GLU H H 63 7.837 7.837 8.564 -0.727 18087 8926 1 18 . 1 1 64 64 ASN N N 64 118.376 118.376 116.990 1.386 18087 8927 1 18 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.843 0.019 18087 8928 1 18 . 1 1 64 64 ASN C C 64 176.216 176.216 176.898 -0.682 18087 8929 1 18 . 1 1 64 64 ASN CA C 64 52.688 52.688 52.638 0.050 18087 8930 1 18 . 1 1 64 64 ASN CB C 64 38.185 38.185 38.102 0.083 18087 8931 1 18 . 1 1 64 64 ASN H H 64 8.012 8.012 7.851 0.161 18087 8932 1 18 . 1 1 65 65 GLY N N 65 107.248 107.248 108.586 -1.338 18087 8933 1 18 . 1 1 65 65 GLY C C 65 173.971 173.971 175.056 -1.085 18087 8934 1 18 . 1 1 65 65 GLY CA C 65 47.136 47.136 45.601 1.535 18087 8935 1 18 . 1 1 65 65 GLY H H 65 7.989 7.989 8.331 -0.342 18087 8936 1 18 . 1 1 66 66 ASP N N 66 116.989 116.989 121.196 -4.207 18087 8937 1 18 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.534 0.254 18087 8938 1 18 . 1 1 66 66 ASP C C 66 177.289 177.289 176.825 0.464 18087 8939 1 18 . 1 1 66 66 ASP CA C 66 54.166 54.166 55.901 -1.735 18087 8940 1 18 . 1 1 66 66 ASP CB C 66 40.987 40.987 40.924 0.063 18087 8941 1 18 . 1 1 66 66 ASP H H 66 8.233 8.233 7.695 0.538 18087 8942 1 18 . 1 1 67 67 GLY N N 67 108.642 108.642 106.624 2.018 18087 8943 1 18 . 1 1 67 67 GLY C C 67 172.757 172.757 172.560 0.197 18087 8944 1 18 . 1 1 67 67 GLY CA C 67 45.216 45.216 44.952 0.265 18087 8945 1 18 . 1 1 67 67 GLY H H 67 8.274 8.274 7.381 0.893 18087 8946 1 18 . 1 1 68 68 GLU N N 68 118.614 118.614 119.153 -0.539 18087 8947 1 18 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.382 0.573 18087 8948 1 18 . 1 1 68 68 GLU C C 68 175.881 175.881 175.454 0.427 18087 8949 1 18 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.889 -0.524 18087 8950 1 18 . 1 1 68 68 GLU CB C 68 33.488 33.488 31.200 2.288 18087 8951 1 18 . 1 1 68 68 GLU H H 68 8.404 8.404 8.238 0.166 18087 8952 1 18 . 1 1 69 69 VAL N N 69 117.572 117.572 121.281 -3.709 18087 8953 1 18 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.645 0.120 18087 8954 1 18 . 1 1 69 69 VAL C C 69 174.820 174.820 174.335 0.485 18087 8955 1 18 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.810 0.140 18087 8956 1 18 . 1 1 69 69 VAL CB C 69 34.352 34.352 34.360 -0.008 18087 8957 1 18 . 1 1 69 69 VAL H H 69 9.167 9.167 9.155 0.012 18087 8958 1 18 . 1 1 70 70 ASP N N 70 122.616 122.616 128.103 -5.487 18087 8959 1 18 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.097 0.117 18087 8960 1 18 . 1 1 70 70 ASP C C 70 175.822 175.822 176.478 -0.656 18087 8961 1 18 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.801 -1.425 18087 8962 1 18 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.413 -1.221 18087 8963 1 18 . 1 1 70 70 ASP H H 70 8.292 8.292 8.193 0.099 18087 8964 1 18 . 1 1 71 71 PHE N N 71 119.243 119.243 119.536 -0.293 18087 8965 1 18 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.668 -0.917 18087 8966 1 18 . 1 1 71 71 PHE C C 71 176.387 176.387 176.967 -0.580 18087 8967 1 18 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.670 1.295 18087 8968 1 18 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.174 -0.033 18087 8969 1 18 . 1 1 71 71 PHE H H 71 8.889 8.889 8.584 0.305 18087 8970 1 18 . 1 1 72 72 GLN N N 72 116.655 116.655 117.554 -0.899 18087 8971 1 18 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.715 -0.007 18087 8972 1 18 . 1 1 72 72 GLN C C 72 177.102 177.102 178.123 -1.021 18087 8973 1 18 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.085 0.190 18087 8974 1 18 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.512 -0.345 18087 8975 1 18 . 1 1 72 72 GLN H H 72 8.021 8.021 8.820 -0.799 18087 8976 1 18 . 1 1 73 73 GLU N N 73 119.195 119.195 120.411 -1.216 18087 8977 1 18 . 1 1 73 73 GLU HA H 73 4.493 4.493 3.942 0.551 18087 8978 1 18 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.340 -4.161 18087 8979 1 18 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.773 2.041 18087 8980 1 18 . 1 1 73 73 GLU H H 73 8.066 8.066 9.351 -1.285 18087 8981 1 18 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.152 -0.066 18087 8982 1 18 . 1 1 74 74 TYR CA C 74 60.497 60.497 60.716 -0.219 18087 8983 1 18 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.700 -0.874 18087 8984 1 18 . 1 1 75 75 VAL N N 75 120.072 120.072 116.116 3.956 18087 8985 1 18 . 1 1 75 75 VAL HA H 75 2.983 2.983 2.943 0.040 18087 8986 1 18 . 1 1 75 75 VAL C C 75 177.295 177.295 177.095 0.200 18087 8987 1 18 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.934 -0.242 18087 8988 1 18 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.922 -0.304 18087 8989 1 18 . 1 1 75 75 VAL H H 75 8.291 8.291 8.246 0.045 18087 8990 1 18 . 1 1 76 76 VAL N N 76 121.367 121.367 121.045 0.322 18087 8991 1 18 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.586 -0.066 18087 8992 1 18 . 1 1 76 76 VAL C C 76 178.847 178.847 177.517 1.330 18087 8993 1 18 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.682 0.871 18087 8994 1 18 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.109 0.279 18087 8995 1 18 . 1 1 76 76 VAL H H 76 7.571 7.571 7.544 0.027 18087 8996 1 18 . 1 1 77 77 LEU N N 77 123.054 123.054 121.272 1.782 18087 8997 1 18 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.964 0.165 18087 8998 1 18 . 1 1 77 77 LEU C C 77 179.065 179.065 178.168 0.897 18087 8999 1 18 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.257 0.235 18087 9000 1 18 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.488 -0.192 18087 9001 1 18 . 1 1 77 77 LEU H H 77 7.360 7.360 7.593 -0.233 18087 9002 1 18 . 1 1 78 78 VAL N N 78 119.163 119.163 116.965 2.198 18087 9003 1 18 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.584 -0.311 18087 9004 1 18 . 1 1 78 78 VAL C C 78 180.217 180.217 177.875 2.342 18087 9005 1 18 . 1 1 78 78 VAL CA C 78 67.270 67.270 65.160 2.110 18087 9006 1 18 . 1 1 78 78 VAL CB C 78 31.181 31.181 29.905 1.276 18087 9007 1 18 . 1 1 78 78 VAL H H 78 8.192 8.192 7.493 0.699 18087 9008 1 18 . 1 1 79 79 ALA N N 79 125.884 125.884 124.325 1.559 18087 9009 1 18 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.728 0.069 18087 9010 1 18 . 1 1 79 79 ALA C C 79 178.708 178.708 178.629 0.079 18087 9011 1 18 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.206 0.685 18087 9012 1 18 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.870 -0.507 18087 9013 1 18 . 1 1 79 79 ALA H H 79 9.067 9.067 8.730 0.337 18087 9014 1 18 . 1 1 80 80 ALA N N 80 121.108 121.108 121.808 -0.700 18087 9015 1 18 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.923 0.201 18087 9016 1 18 . 1 1 80 80 ALA C C 80 182.175 182.175 179.598 2.577 18087 9017 1 18 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.188 0.235 18087 9018 1 18 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.037 -0.368 18087 9019 1 18 . 1 1 80 80 ALA H H 80 7.776 7.776 8.609 -0.833 18087 9020 1 18 . 1 1 81 81 LEU N N 81 118.519 118.519 118.370 0.149 18087 9021 1 18 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.931 0.187 18087 9022 1 18 . 1 1 81 81 LEU C C 81 177.959 177.959 179.305 -1.346 18087 9023 1 18 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.917 -0.428 18087 9024 1 18 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.553 0.616 18087 9025 1 18 . 1 1 81 81 LEU H H 81 8.097 8.097 7.663 0.434 18087 9026 1 18 . 1 1 82 82 THR N N 82 119.572 119.572 116.847 2.725 18087 9027 1 18 . 1 1 82 82 THR HA H 82 3.777 3.777 3.625 0.152 18087 9028 1 18 . 1 1 82 82 THR C C 82 176.911 176.911 176.707 0.204 18087 9029 1 18 . 1 1 82 82 THR CA C 82 68.058 68.058 67.206 0.852 18087 9030 1 18 . 1 1 82 82 THR CB C 82 67.402 67.402 68.671 -1.268 18087 9031 1 18 . 1 1 82 82 THR H H 82 8.537 8.537 8.204 0.333 18087 9032 1 18 . 1 1 83 83 VAL N N 83 123.805 123.805 121.476 2.329 18087 9033 1 18 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.589 0.141 18087 9034 1 18 . 1 1 83 83 VAL C C 83 177.787 177.787 177.154 0.633 18087 9035 1 18 . 1 1 83 83 VAL CA C 83 67.394 67.394 66.005 1.389 18087 9036 1 18 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.498 0.193 18087 9037 1 18 . 1 1 83 83 VAL H H 83 8.283 8.283 8.696 -0.413 18087 9038 1 18 . 1 1 84 84 ALA N N 84 121.134 121.134 123.010 -1.876 18087 9039 1 18 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.905 0.331 18087 9040 1 18 . 1 1 84 84 ALA C C 84 180.511 180.511 179.861 0.650 18087 9041 1 18 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.371 -0.196 18087 9042 1 18 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.296 -0.869 18087 9043 1 18 . 1 1 84 84 ALA H H 84 7.466 7.466 8.323 -0.857 18087 9044 1 18 . 1 1 85 85 MET N N 85 121.755 121.755 117.251 4.504 18087 9045 1 18 . 1 1 85 85 MET HA H 85 3.796 3.796 4.457 -0.661 18087 9046 1 18 . 1 1 85 85 MET CA C 85 59.656 59.656 59.280 0.376 18087 9047 1 18 . 1 1 85 85 MET CB C 85 33.653 33.653 32.943 0.710 18087 9048 1 18 . 1 1 85 85 MET H H 85 8.549 8.549 8.575 -0.026 18087 9049 1 18 . 1 1 86 86 ASN N N 86 119.410 119.410 118.741 0.669 18087 9050 1 18 . 1 1 86 86 ASN HA H 86 4.152 4.152 2.768 1.384 18087 9051 1 18 . 1 1 86 86 ASN C C 86 176.834 176.834 177.740 -0.906 18087 9052 1 18 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.110 1.952 18087 9053 1 18 . 1 1 86 86 ASN CB C 86 39.930 39.930 37.917 2.013 18087 9054 1 18 . 1 1 86 86 ASN H H 86 8.615 8.615 8.858 -0.243 18087 9055 1 18 . 1 1 87 87 ASN N N 87 117.077 117.077 120.037 -2.960 18087 9056 1 18 . 1 1 87 87 ASN HA H 87 4.446 4.446 4.354 0.092 18087 9057 1 18 . 1 1 87 87 ASN C C 87 176.906 176.906 177.216 -0.310 18087 9058 1 18 . 1 1 87 87 ASN CA C 87 55.602 55.602 56.591 -0.989 18087 9059 1 18 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.280 -0.704 18087 9060 1 18 . 1 1 87 87 ASN H H 87 8.286 8.286 8.741 -0.455 18087 9061 1 18 . 1 1 88 88 PHE N N 88 119.698 119.698 118.591 1.107 18087 9062 1 18 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.424 0.054 18087 9063 1 18 . 1 1 88 88 PHE C C 88 177.057 177.057 178.283 -1.226 18087 9064 1 18 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.169 -1.623 18087 9065 1 18 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.704 0.907 18087 9066 1 18 . 1 1 88 88 PHE H H 88 7.909 7.909 7.829 0.080 18087 9067 1 18 . 1 1 89 89 PHE N N 89 116.219 116.219 120.504 -4.285 18087 9068 1 18 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.355 -0.145 18087 9069 1 18 . 1 1 89 89 PHE C C 89 177.637 177.637 178.086 -0.449 18087 9070 1 18 . 1 1 89 89 PHE CA C 89 58.752 58.752 59.575 -0.823 18087 9071 1 18 . 1 1 89 89 PHE CB C 89 39.781 39.781 37.325 2.456 18087 9072 1 18 . 1 1 89 89 PHE H H 89 8.049 8.049 8.994 -0.945 18087 9073 1 18 . 1 1 90 90 TRP N N 90 117.712 117.712 118.819 -1.107 18087 9074 1 18 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.478 0.050 18087 9075 1 18 . 1 1 90 90 TRP C C 90 176.741 176.741 178.678 -1.937 18087 9076 1 18 . 1 1 90 90 TRP CA C 90 58.109 58.109 60.428 -2.319 18087 9077 1 18 . 1 1 90 90 TRP CB C 90 29.720 29.720 28.712 1.008 18087 9078 1 18 . 1 1 90 90 TRP H H 90 8.257 8.257 8.180 0.077 18087 9079 1 18 . 1 1 91 91 GLU N N 91 120.493 120.493 118.198 2.295 18087 9080 1 18 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.190 0.238 18087 9081 1 18 . 1 1 91 91 GLU C C 91 176.393 176.393 176.996 -0.603 18087 9082 1 18 . 1 1 91 91 GLU CA C 91 57.193 57.193 58.344 -1.151 18087 9083 1 18 . 1 1 91 91 GLU CB C 91 29.850 29.850 30.120 -0.270 18087 9084 1 18 . 1 1 91 91 GLU H H 91 7.988 7.988 8.000 -0.012 18087 9085 1 18 . 1 1 92 92 ASN N N 92 119.006 119.006 118.680 0.326 18087 9086 1 18 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.838 -0.051 18087 9087 1 18 . 1 1 92 92 ASN C C 92 174.284 174.284 173.590 0.694 18087 9088 1 18 . 1 1 92 92 ASN CA C 92 53.198 53.198 53.470 -0.272 18087 9089 1 18 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.284 0.949 18087 9090 1 18 . 1 1 92 92 ASN H H 92 8.203 8.203 8.698 -0.495 18087 9091 1 19 . 1 1 2 2 SER N N 2 117.254 117.254 116.531 0.723 18087 9092 1 19 . 1 1 2 2 SER HA H 2 4.737 4.737 4.620 0.117 18087 9093 1 19 . 1 1 2 2 SER C C 2 175.320 175.320 175.513 -0.193 18087 9094 1 19 . 1 1 2 2 SER CA C 2 57.476 57.476 57.310 0.166 18087 9095 1 19 . 1 1 2 2 SER CB C 2 64.594 64.594 64.731 -0.137 18087 9096 1 19 . 1 1 2 2 SER H H 2 8.686 8.686 8.273 0.413 18087 9097 1 19 . 1 1 3 3 GLU N N 3 124.640 124.640 121.486 3.154 18087 9098 1 19 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.051 0.057 18087 9099 1 19 . 1 1 3 3 GLU C C 3 178.972 178.972 178.698 0.274 18087 9100 1 19 . 1 1 3 3 GLU CA C 3 60.375 60.375 59.595 0.780 18087 9101 1 19 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.099 0.644 18087 9102 1 19 . 1 1 3 3 GLU H H 3 9.242 9.242 8.730 0.512 18087 9103 1 19 . 1 1 4 4 LEU N N 4 119.682 119.682 119.660 0.022 18087 9104 1 19 . 1 1 4 4 LEU HA H 4 3.952 3.952 3.977 -0.025 18087 9105 1 19 . 1 1 4 4 LEU C C 4 178.027 178.027 179.116 -1.089 18087 9106 1 19 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.004 0.175 18087 9107 1 19 . 1 1 4 4 LEU CB C 4 42.308 42.308 41.074 1.234 18087 9108 1 19 . 1 1 4 4 LEU H H 4 8.952 8.952 8.217 0.735 18087 9109 1 19 . 1 1 5 5 GLU N N 5 118.542 118.542 119.380 -0.838 18087 9110 1 19 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.007 -0.215 18087 9111 1 19 . 1 1 5 5 GLU C C 5 178.389 178.389 179.089 -0.700 18087 9112 1 19 . 1 1 5 5 GLU CA C 5 60.051 60.051 59.975 0.076 18087 9113 1 19 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.443 0.540 18087 9114 1 19 . 1 1 5 5 GLU H H 5 7.968 7.968 8.656 -0.688 18087 9115 1 19 . 1 1 6 6 THR N N 6 114.278 114.278 117.363 -3.085 18087 9116 1 19 . 1 1 6 6 THR HA H 6 4.015 4.015 4.040 -0.025 18087 9117 1 19 . 1 1 6 6 THR C C 6 176.990 176.990 177.001 -0.011 18087 9118 1 19 . 1 1 6 6 THR CA C 6 66.450 66.450 66.689 -0.239 18087 9119 1 19 . 1 1 6 6 THR CB C 6 68.637 68.637 68.675 -0.038 18087 9120 1 19 . 1 1 6 6 THR H H 6 8.177 8.177 7.539 0.638 18087 9121 1 19 . 1 1 7 7 ALA N N 7 126.659 126.659 126.013 0.646 18087 9122 1 19 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.137 0.026 18087 9123 1 19 . 1 1 7 7 ALA C C 7 179.338 179.338 179.573 -0.235 18087 9124 1 19 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.207 0.608 18087 9125 1 19 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.204 -0.020 18087 9126 1 19 . 1 1 7 7 ALA H H 7 8.166 8.166 8.976 -0.810 18087 9127 1 19 . 1 1 8 8 MET N N 8 117.727 117.727 118.004 -0.277 18087 9128 1 19 . 1 1 8 8 MET HA H 8 3.731 3.731 4.191 -0.460 18087 9129 1 19 . 1 1 8 8 MET C C 8 178.071 178.071 178.938 -0.867 18087 9130 1 19 . 1 1 8 8 MET CA C 8 60.447 60.447 59.258 1.189 18087 9131 1 19 . 1 1 8 8 MET CB C 8 34.928 34.928 32.289 2.639 18087 9132 1 19 . 1 1 8 8 MET H H 8 8.090 8.090 8.925 -0.835 18087 9133 1 19 . 1 1 9 9 GLU N N 9 117.303 117.303 120.199 -2.896 18087 9134 1 19 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.973 -0.066 18087 9135 1 19 . 1 1 9 9 GLU C C 9 179.261 179.261 178.896 0.365 18087 9136 1 19 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.791 0.238 18087 9137 1 19 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.534 -0.035 18087 9138 1 19 . 1 1 9 9 GLU H H 9 8.603 8.603 9.041 -0.438 18087 9139 1 19 . 1 1 10 10 THR N N 10 117.583 117.583 118.346 -0.763 18087 9140 1 19 . 1 1 10 10 THR HA H 10 4.088 4.088 4.059 0.029 18087 9141 1 19 . 1 1 10 10 THR C C 10 175.758 175.758 176.716 -0.958 18087 9142 1 19 . 1 1 10 10 THR CA C 10 67.439 67.439 67.632 -0.193 18087 9143 1 19 . 1 1 10 10 THR CB C 10 68.014 68.014 68.608 -0.593 18087 9144 1 19 . 1 1 10 10 THR H H 10 8.483 8.483 8.746 -0.263 18087 9145 1 19 . 1 1 11 11 LEU N N 11 119.623 119.623 121.973 -2.350 18087 9146 1 19 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.318 -0.348 18087 9147 1 19 . 1 1 11 11 LEU C C 11 178.935 178.935 179.318 -0.383 18087 9148 1 19 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.394 0.781 18087 9149 1 19 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.794 0.067 18087 9150 1 19 . 1 1 11 11 LEU H H 11 8.013 8.013 8.369 -0.356 18087 9151 1 19 . 1 1 12 12 ILE N N 12 119.751 119.751 120.384 -0.633 18087 9152 1 19 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.449 0.544 18087 9153 1 19 . 1 1 12 12 ILE C C 12 177.717 177.717 178.214 -0.497 18087 9154 1 19 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.134 1.614 18087 9155 1 19 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.330 2.936 18087 9156 1 19 . 1 1 12 12 ILE H H 12 7.708 7.708 8.713 -1.005 18087 9157 1 19 . 1 1 13 13 ASN N N 13 121.260 121.260 119.554 1.706 18087 9158 1 19 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.588 -0.021 18087 9159 1 19 . 1 1 13 13 ASN C C 13 178.941 178.941 178.237 0.704 18087 9160 1 19 . 1 1 13 13 ASN CA C 13 56.339 56.339 57.432 -1.093 18087 9161 1 19 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.529 -0.435 18087 9162 1 19 . 1 1 13 13 ASN H H 13 9.125 9.125 8.991 0.134 18087 9163 1 19 . 1 1 14 14 VAL N N 14 120.868 120.868 120.669 0.199 18087 9164 1 19 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.716 0.151 18087 9165 1 19 . 1 1 14 14 VAL C C 14 177.827 177.827 177.882 -0.055 18087 9166 1 19 . 1 1 14 14 VAL CA C 14 66.715 66.715 67.150 -0.435 18087 9167 1 19 . 1 1 14 14 VAL CB C 14 31.902 31.902 32.030 -0.128 18087 9168 1 19 . 1 1 14 14 VAL H H 14 8.965 8.965 7.955 1.010 18087 9169 1 19 . 1 1 15 15 PHE N N 15 117.672 117.672 121.172 -3.500 18087 9170 1 19 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.933 -0.487 18087 9171 1 19 . 1 1 15 15 PHE C C 15 177.713 177.713 177.463 0.250 18087 9172 1 19 . 1 1 15 15 PHE CA C 15 62.441 62.441 61.952 0.489 18087 9173 1 19 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.114 0.067 18087 9174 1 19 . 1 1 15 15 PHE H H 15 6.968 6.968 8.343 -1.375 18087 9175 1 19 . 1 1 16 16 HIS N N 16 115.122 115.122 120.925 -5.803 18087 9176 1 19 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.179 0.190 18087 9177 1 19 . 1 1 16 16 HIS C C 16 176.987 176.987 177.624 -0.637 18087 9178 1 19 . 1 1 16 16 HIS CA C 16 58.413 58.413 59.166 -0.753 18087 9179 1 19 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.583 -1.323 18087 9180 1 19 . 1 1 16 16 HIS H H 16 8.020 8.020 9.350 -1.330 18087 9181 1 19 . 1 1 17 17 ALA N N 17 122.533 122.533 121.182 1.351 18087 9182 1 19 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.917 0.200 18087 9183 1 19 . 1 1 17 17 ALA CA C 17 54.064 54.064 55.023 -0.959 18087 9184 1 19 . 1 1 17 17 ALA CB C 17 17.908 17.908 18.093 -0.185 18087 9185 1 19 . 1 1 17 17 ALA H H 17 8.282 8.282 8.660 -0.378 18087 9186 1 19 . 1 1 18 18 HIS N N 18 113.127 113.127 116.726 -3.599 18087 9187 1 19 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.300 0.108 18087 9188 1 19 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.251 -2.003 18087 9189 1 19 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.657 1.605 18087 9190 1 19 . 1 1 18 18 HIS H H 18 7.124 7.124 8.267 -1.143 18087 9191 1 19 . 1 1 19 19 SER HA H 19 3.963 3.963 4.229 -0.266 18087 9192 1 19 . 1 1 19 19 SER CA C 19 59.969 59.969 61.762 -1.793 18087 9193 1 19 . 1 1 19 19 SER CB C 19 62.416 62.416 62.648 -0.232 18087 9194 1 19 . 1 1 20 20 GLY N N 20 107.243 107.243 108.289 -1.046 18087 9195 1 19 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.270 -0.156 18087 9196 1 19 . 1 1 20 20 GLY H H 20 7.915 7.915 7.821 0.094 18087 9197 1 19 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.117 -0.160 18087 9198 1 19 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.254 -0.209 18087 9199 1 19 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.138 -0.201 18087 9200 1 19 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.520 -0.478 18087 9201 1 19 . 1 1 22 22 GLU CA C 22 58.755 58.755 55.649 3.106 18087 9202 1 19 . 1 1 22 22 GLU CB C 22 30.184 30.184 31.707 -1.523 18087 9203 1 19 . 1 1 23 23 GLY N N 23 111.113 111.113 109.309 1.804 18087 9204 1 19 . 1 1 23 23 GLY CA C 23 46.790 46.790 45.156 1.634 18087 9205 1 19 . 1 1 23 23 GLY H H 23 8.435 8.435 7.657 0.778 18087 9206 1 19 . 1 1 24 24 ASP N N 24 123.994 123.994 117.054 6.940 18087 9207 1 19 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.720 -0.224 18087 9208 1 19 . 1 1 24 24 ASP CA C 24 54.286 54.286 53.104 1.182 18087 9209 1 19 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.316 -0.314 18087 9210 1 19 . 1 1 24 24 ASP H H 24 8.501 8.501 7.649 0.852 18087 9211 1 19 . 1 1 25 25 LYS HA H 25 4.442 4.442 3.965 0.477 18087 9212 1 19 . 1 1 25 25 LYS CA C 25 56.523 56.523 58.039 -1.516 18087 9213 1 19 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.452 0.819 18087 9214 1 19 . 1 1 26 26 TYR N N 26 119.967 119.967 115.045 4.922 18087 9215 1 19 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.781 0.011 18087 9216 1 19 . 1 1 26 26 TYR CA C 26 57.019 57.019 55.799 1.220 18087 9217 1 19 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.832 -0.401 18087 9218 1 19 . 1 1 26 26 TYR H H 26 8.712 8.712 7.165 1.547 18087 9219 1 19 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.954 0.345 18087 9220 1 19 . 1 1 27 27 LYS C C 27 174.308 174.308 173.923 0.385 18087 9221 1 19 . 1 1 27 27 LYS CA C 27 54.365 54.365 55.260 -0.895 18087 9222 1 19 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.463 -0.069 18087 9223 1 19 . 1 1 28 28 LEU N N 28 121.194 121.194 122.368 -1.174 18087 9224 1 19 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.683 0.037 18087 9225 1 19 . 1 1 28 28 LEU C C 28 178.895 178.895 174.610 4.285 18087 9226 1 19 . 1 1 28 28 LEU CA C 28 52.968 52.968 53.098 -0.130 18087 9227 1 19 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.492 0.719 18087 9228 1 19 . 1 1 28 28 LEU H H 28 8.632 8.632 9.299 -0.667 18087 9229 1 19 . 1 1 29 29 SER N N 29 119.705 119.705 121.150 -1.445 18087 9230 1 19 . 1 1 29 29 SER HA H 29 4.987 4.987 4.552 0.435 18087 9231 1 19 . 1 1 29 29 SER C C 29 175.742 175.742 175.145 0.597 18087 9232 1 19 . 1 1 29 29 SER CA C 29 57.873 57.873 58.151 -0.278 18087 9233 1 19 . 1 1 29 29 SER CB C 29 64.531 64.531 64.367 0.164 18087 9234 1 19 . 1 1 29 29 SER H H 29 8.901 8.901 8.802 0.099 18087 9235 1 19 . 1 1 30 30 LYS N N 30 124.208 124.208 122.542 1.666 18087 9236 1 19 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.245 -0.431 18087 9237 1 19 . 1 1 30 30 LYS C C 30 178.469 178.469 178.335 0.134 18087 9238 1 19 . 1 1 30 30 LYS CA C 30 61.433 61.433 58.016 3.417 18087 9239 1 19 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.692 0.577 18087 9240 1 19 . 1 1 30 30 LYS H H 30 8.836 8.836 9.027 -0.191 18087 9241 1 19 . 1 1 31 31 LYS N N 31 119.570 119.570 119.614 -0.044 18087 9242 1 19 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.028 0.018 18087 9243 1 19 . 1 1 31 31 LYS C C 31 179.409 179.409 178.443 0.966 18087 9244 1 19 . 1 1 31 31 LYS CA C 31 59.223 59.223 60.229 -1.006 18087 9245 1 19 . 1 1 31 31 LYS CB C 31 32.386 32.386 32.137 0.249 18087 9246 1 19 . 1 1 31 31 LYS H H 31 8.597 8.597 8.401 0.196 18087 9247 1 19 . 1 1 32 32 GLU N N 32 119.551 119.551 119.314 0.237 18087 9248 1 19 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.137 -0.091 18087 9249 1 19 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.562 0.436 18087 9250 1 19 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.627 -1.157 18087 9251 1 19 . 1 1 32 32 GLU H H 32 7.442 7.442 7.551 -0.109 18087 9252 1 19 . 1 1 33 33 LEU N N 33 121.725 121.725 121.266 0.459 18087 9253 1 19 . 1 1 33 33 LEU HA H 33 4.068 4.068 4.002 0.066 18087 9254 1 19 . 1 1 33 33 LEU C C 33 177.279 177.279 178.683 -1.404 18087 9255 1 19 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.276 -0.880 18087 9256 1 19 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.633 -1.048 18087 9257 1 19 . 1 1 33 33 LEU H H 33 8.579 8.579 8.567 0.012 18087 9258 1 19 . 1 1 34 34 LYS N N 34 120.543 120.543 118.347 2.196 18087 9259 1 19 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.962 -0.326 18087 9260 1 19 . 1 1 34 34 LYS C C 34 177.868 177.868 179.108 -1.240 18087 9261 1 19 . 1 1 34 34 LYS CA C 34 60.704 60.704 60.008 0.696 18087 9262 1 19 . 1 1 34 34 LYS CB C 34 31.870 31.870 32.188 -0.318 18087 9263 1 19 . 1 1 34 34 LYS H H 34 8.618 8.618 7.869 0.749 18087 9264 1 19 . 1 1 35 35 GLU N N 35 117.340 117.340 119.278 -1.938 18087 9265 1 19 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.146 -0.139 18087 9266 1 19 . 1 1 35 35 GLU C C 35 179.008 179.008 179.199 -0.191 18087 9267 1 19 . 1 1 35 35 GLU CA C 35 59.366 59.366 58.690 0.676 18087 9268 1 19 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.537 -0.342 18087 9269 1 19 . 1 1 35 35 GLU H H 35 7.713 7.713 7.438 0.275 18087 9270 1 19 . 1 1 36 36 LEU N N 36 122.745 122.745 122.351 0.394 18087 9271 1 19 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.139 -0.126 18087 9272 1 19 . 1 1 36 36 LEU C C 36 178.646 178.646 178.456 0.190 18087 9273 1 19 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.520 -0.144 18087 9274 1 19 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.201 0.687 18087 9275 1 19 . 1 1 36 36 LEU H H 36 8.150 8.150 8.828 -0.678 18087 9276 1 19 . 1 1 37 37 LEU N N 37 118.881 118.881 120.130 -1.249 18087 9277 1 19 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.056 -0.308 18087 9278 1 19 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.659 -0.298 18087 9279 1 19 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.225 0.188 18087 9280 1 19 . 1 1 37 37 LEU H H 37 8.495 8.495 8.493 0.002 18087 9281 1 19 . 1 1 38 38 GLN N N 38 115.311 115.311 117.389 -2.078 18087 9282 1 19 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.054 -0.265 18087 9283 1 19 . 1 1 38 38 GLN C C 38 177.826 177.826 178.238 -0.412 18087 9284 1 19 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.727 0.133 18087 9285 1 19 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.163 0.157 18087 9286 1 19 . 1 1 38 38 GLN H H 38 8.348 8.348 7.722 0.626 18087 9287 1 19 . 1 1 39 39 THR N N 39 112.151 112.151 117.242 -5.091 18087 9288 1 19 . 1 1 39 39 THR HA H 39 4.186 4.186 3.971 0.215 18087 9289 1 19 . 1 1 39 39 THR C C 39 177.166 177.166 177.360 -0.194 18087 9290 1 19 . 1 1 39 39 THR CA C 39 65.284 65.284 66.907 -1.623 18087 9291 1 19 . 1 1 39 39 THR CB C 39 69.179 69.179 68.766 0.413 18087 9292 1 19 . 1 1 39 39 THR H H 39 7.872 7.872 8.239 -0.367 18087 9293 1 19 . 1 1 40 40 GLU N N 40 119.602 119.602 121.292 -1.690 18087 9294 1 19 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.273 0.093 18087 9295 1 19 . 1 1 40 40 GLU C C 40 178.228 178.228 178.464 -0.236 18087 9296 1 19 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.534 0.089 18087 9297 1 19 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.899 1.035 18087 9298 1 19 . 1 1 40 40 GLU H H 40 8.713 8.713 8.858 -0.145 18087 9299 1 19 . 1 1 41 41 LEU N N 41 118.018 118.018 120.889 -2.871 18087 9300 1 19 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.668 0.464 18087 9301 1 19 . 1 1 41 41 LEU C C 41 176.993 176.993 177.034 -0.041 18087 9302 1 19 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.559 -0.740 18087 9303 1 19 . 1 1 41 41 LEU CB C 41 41.962 41.962 40.993 0.969 18087 9304 1 19 . 1 1 41 41 LEU H H 41 8.243 8.243 8.125 0.118 18087 9305 1 19 . 1 1 42 42 SER N N 42 114.483 114.483 117.119 -2.636 18087 9306 1 19 . 1 1 42 42 SER HA H 42 3.950 3.950 4.298 -0.348 18087 9307 1 19 . 1 1 42 42 SER C C 42 176.651 176.651 176.805 -0.154 18087 9308 1 19 . 1 1 42 42 SER CA C 42 62.225 62.225 62.191 0.034 18087 9309 1 19 . 1 1 42 42 SER CB C 42 62.675 62.675 62.876 -0.201 18087 9310 1 19 . 1 1 42 42 SER H H 42 7.019 7.019 7.542 -0.523 18087 9311 1 19 . 1 1 43 43 GLY N N 43 109.381 109.381 109.452 -0.071 18087 9312 1 19 . 1 1 43 43 GLY C C 43 176.476 176.476 175.676 0.800 18087 9313 1 19 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.781 0.238 18087 9314 1 19 . 1 1 43 43 GLY H H 43 8.666 8.666 8.547 0.119 18087 9315 1 19 . 1 1 44 44 PHE N N 44 124.390 124.390 121.178 3.212 18087 9316 1 19 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.717 -0.390 18087 9317 1 19 . 1 1 44 44 PHE C C 44 176.516 176.516 178.089 -1.573 18087 9318 1 19 . 1 1 44 44 PHE CA C 44 60.094 60.094 59.376 0.718 18087 9319 1 19 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.749 0.474 18087 9320 1 19 . 1 1 44 44 PHE H H 44 8.226 8.226 7.687 0.539 18087 9321 1 19 . 1 1 45 45 LEU N N 45 117.156 117.156 121.302 -4.146 18087 9322 1 19 . 1 1 45 45 LEU HA H 45 3.418 3.418 3.963 -0.545 18087 9323 1 19 . 1 1 45 45 LEU C C 45 179.673 179.673 178.133 1.540 18087 9324 1 19 . 1 1 45 45 LEU CA C 45 57.522 57.522 58.008 -0.486 18087 9325 1 19 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.707 -1.093 18087 9326 1 19 . 1 1 45 45 LEU H H 45 8.627 8.627 9.060 -0.433 18087 9327 1 19 . 1 1 46 46 ASP N N 46 117.663 117.663 118.780 -1.117 18087 9328 1 19 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.272 0.073 18087 9329 1 19 . 1 1 46 46 ASP C C 46 177.844 177.844 178.313 -0.469 18087 9330 1 19 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.638 -0.854 18087 9331 1 19 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.776 0.354 18087 9332 1 19 . 1 1 46 46 ASP H H 46 7.933 7.933 8.382 -0.449 18087 9333 1 19 . 1 1 47 47 ALA N N 47 119.795 119.795 120.390 -0.595 18087 9334 1 19 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.172 0.031 18087 9335 1 19 . 1 1 47 47 ALA C C 47 179.300 179.300 180.378 -1.078 18087 9336 1 19 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.700 -1.337 18087 9337 1 19 . 1 1 47 47 ALA CB C 47 19.011 19.011 18.668 0.343 18087 9338 1 19 . 1 1 47 47 ALA H H 47 7.380 7.380 7.402 -0.022 18087 9339 1 19 . 1 1 48 48 GLN N N 48 115.955 115.955 117.214 -1.259 18087 9340 1 19 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.212 0.058 18087 9341 1 19 . 1 1 48 48 GLN C C 48 175.355 175.355 178.645 -3.290 18087 9342 1 19 . 1 1 48 48 GLN CA C 48 54.026 54.026 57.065 -3.039 18087 9343 1 19 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.959 0.601 18087 9344 1 19 . 1 1 48 48 GLN H H 48 7.369 7.369 8.239 -0.870 18087 9345 1 19 . 1 1 49 49 LYS N N 49 119.402 119.402 119.561 -0.159 18087 9346 1 19 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.080 -0.064 18087 9347 1 19 . 1 1 49 49 LYS C C 49 176.255 176.255 177.515 -1.260 18087 9348 1 19 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.467 -1.283 18087 9349 1 19 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.204 -0.101 18087 9350 1 19 . 1 1 49 49 LYS H H 49 7.152 7.152 7.873 -0.721 18087 9351 1 19 . 1 1 50 50 ASP N N 50 117.172 117.172 117.184 -0.012 18087 9352 1 19 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.747 -0.152 18087 9353 1 19 . 1 1 50 50 ASP C C 50 175.916 175.916 175.422 0.494 18087 9354 1 19 . 1 1 50 50 ASP CA C 50 54.217 54.217 53.367 0.850 18087 9355 1 19 . 1 1 50 50 ASP CB C 50 40.309 40.309 41.282 -0.973 18087 9356 1 19 . 1 1 50 50 ASP H H 50 8.338 8.338 7.791 0.547 18087 9357 1 19 . 1 1 51 51 VAL N N 51 121.648 121.648 120.096 1.552 18087 9358 1 19 . 1 1 51 51 VAL HA H 51 3.997 3.997 4.237 -0.240 18087 9359 1 19 . 1 1 51 51 VAL C C 51 177.128 177.128 176.201 0.927 18087 9360 1 19 . 1 1 51 51 VAL CA C 51 62.404 62.404 60.574 1.830 18087 9361 1 19 . 1 1 51 51 VAL CB C 51 31.921 31.921 34.363 -2.442 18087 9362 1 19 . 1 1 51 51 VAL H H 51 7.604 7.604 7.687 -0.083 18087 9363 1 19 . 1 1 52 52 ASP N N 52 129.202 129.202 129.334 -0.132 18087 9364 1 19 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.219 0.054 18087 9365 1 19 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.175 1.008 18087 9366 1 19 . 1 1 52 52 ASP CB C 52 40.935 40.935 40.991 -0.056 18087 9367 1 19 . 1 1 52 52 ASP H H 52 8.702 8.702 9.126 -0.424 18087 9368 1 19 . 1 1 53 53 ALA N N 53 118.401 118.401 121.122 -2.721 18087 9369 1 19 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.003 0.010 18087 9370 1 19 . 1 1 53 53 ALA C C 53 179.448 179.448 178.992 0.456 18087 9371 1 19 . 1 1 53 53 ALA CA C 53 55.053 55.053 54.730 0.323 18087 9372 1 19 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.207 1.157 18087 9373 1 19 . 1 1 53 53 ALA H H 53 8.478 8.478 8.191 0.287 18087 9374 1 19 . 1 1 54 54 VAL N N 54 115.050 115.050 118.037 -2.987 18087 9375 1 19 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.571 -0.029 18087 9376 1 19 . 1 1 54 54 VAL C C 54 177.000 177.000 177.080 -0.080 18087 9377 1 19 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.580 -1.360 18087 9378 1 19 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.826 0.233 18087 9379 1 19 . 1 1 54 54 VAL H H 54 6.988 6.988 7.812 -0.824 18087 9380 1 19 . 1 1 55 55 ASP N N 55 120.834 120.834 119.812 1.022 18087 9381 1 19 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.357 -0.079 18087 9382 1 19 . 1 1 55 55 ASP C C 55 178.307 178.307 178.344 -0.037 18087 9383 1 19 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.321 0.302 18087 9384 1 19 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.620 1.157 18087 9385 1 19 . 1 1 55 55 ASP H H 55 8.157 8.157 7.819 0.338 18087 9386 1 19 . 1 1 56 56 LYS N N 56 115.672 115.672 119.641 -3.969 18087 9387 1 19 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.035 -0.147 18087 9388 1 19 . 1 1 56 56 LYS C C 56 179.372 179.372 179.317 0.055 18087 9389 1 19 . 1 1 56 56 LYS CA C 56 59.608 59.608 59.404 0.205 18087 9390 1 19 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.651 -0.273 18087 9391 1 19 . 1 1 56 56 LYS H H 56 8.348 8.348 7.539 0.809 18087 9392 1 19 . 1 1 57 57 VAL N N 57 118.238 118.238 120.617 -2.379 18087 9393 1 19 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.727 0.002 18087 9394 1 19 . 1 1 57 57 VAL C C 57 177.541 177.541 178.055 -0.514 18087 9395 1 19 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.655 -0.953 18087 9396 1 19 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.662 0.256 18087 9397 1 19 . 1 1 57 57 VAL H H 57 7.003 7.003 8.776 -1.773 18087 9398 1 19 . 1 1 58 58 MET N N 58 115.998 115.998 119.032 -3.034 18087 9399 1 19 . 1 1 58 58 MET HA H 58 4.313 4.313 4.027 0.286 18087 9400 1 19 . 1 1 58 58 MET C C 58 179.857 179.857 177.961 1.896 18087 9401 1 19 . 1 1 58 58 MET CA C 58 56.717 56.717 59.216 -2.499 18087 9402 1 19 . 1 1 58 58 MET CB C 58 32.366 32.366 32.372 -0.006 18087 9403 1 19 . 1 1 58 58 MET H H 58 7.836 7.836 8.256 -0.420 18087 9404 1 19 . 1 1 59 59 LYS N N 59 119.682 119.682 120.436 -0.754 18087 9405 1 19 . 1 1 59 59 LYS HA H 59 4.088 4.088 3.972 0.116 18087 9406 1 19 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.447 -0.005 18087 9407 1 19 . 1 1 59 59 LYS CB C 59 32.504 32.504 31.706 0.798 18087 9408 1 19 . 1 1 59 59 LYS H H 59 8.619 8.619 8.540 0.079 18087 9409 1 19 . 1 1 60 60 GLU N N 60 119.917 119.917 119.881 0.036 18087 9410 1 19 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.003 -0.067 18087 9411 1 19 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.510 -0.270 18087 9412 1 19 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.513 0.576 18087 9413 1 19 . 1 1 60 60 GLU H H 60 7.721 7.721 8.033 -0.312 18087 9414 1 19 . 1 1 61 61 LEU N N 61 116.614 116.614 119.979 -3.365 18087 9415 1 19 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.106 -0.083 18087 9416 1 19 . 1 1 61 61 LEU C C 61 175.845 175.845 179.318 -3.473 18087 9417 1 19 . 1 1 61 61 LEU CA C 61 56.515 56.515 58.082 -1.567 18087 9418 1 19 . 1 1 61 61 LEU CB C 61 41.218 41.218 41.020 0.197 18087 9419 1 19 . 1 1 61 61 LEU H H 61 7.429 7.429 7.507 -0.078 18087 9420 1 19 . 1 1 62 62 ASP N N 62 116.147 116.147 120.568 -4.421 18087 9421 1 19 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.343 0.180 18087 9422 1 19 . 1 1 62 62 ASP C C 62 177.790 177.790 178.590 -0.800 18087 9423 1 19 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.553 -2.127 18087 9424 1 19 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.820 1.060 18087 9425 1 19 . 1 1 62 62 ASP H H 62 7.423 7.423 8.766 -1.343 18087 9426 1 19 . 1 1 63 63 GLU N N 63 119.660 119.660 118.196 1.464 18087 9427 1 19 . 1 1 63 63 GLU HA H 63 4.136 4.136 4.047 0.089 18087 9428 1 19 . 1 1 63 63 GLU CA C 63 57.377 57.377 58.988 -1.611 18087 9429 1 19 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.775 0.214 18087 9430 1 19 . 1 1 63 63 GLU H H 63 7.837 7.837 8.581 -0.744 18087 9431 1 19 . 1 1 64 64 ASN N N 64 118.376 118.376 118.873 -0.497 18087 9432 1 19 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.720 0.142 18087 9433 1 19 . 1 1 64 64 ASN C C 64 176.216 176.216 175.944 0.272 18087 9434 1 19 . 1 1 64 64 ASN CA C 64 52.688 52.688 52.424 0.264 18087 9435 1 19 . 1 1 64 64 ASN CB C 64 38.185 38.185 37.253 0.932 18087 9436 1 19 . 1 1 64 64 ASN H H 64 8.012 8.012 8.263 -0.251 18087 9437 1 19 . 1 1 65 65 GLY N N 65 107.248 107.248 107.793 -0.545 18087 9438 1 19 . 1 1 65 65 GLY C C 65 173.971 173.971 175.325 -1.354 18087 9439 1 19 . 1 1 65 65 GLY CA C 65 47.136 47.136 44.867 2.269 18087 9440 1 19 . 1 1 65 65 GLY H H 65 7.989 7.989 8.232 -0.243 18087 9441 1 19 . 1 1 66 66 ASP N N 66 116.989 116.989 121.534 -4.545 18087 9442 1 19 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.524 0.264 18087 9443 1 19 . 1 1 66 66 ASP C C 66 177.289 177.289 176.736 0.553 18087 9444 1 19 . 1 1 66 66 ASP CA C 66 54.166 54.166 55.979 -1.813 18087 9445 1 19 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.034 -0.047 18087 9446 1 19 . 1 1 66 66 ASP H H 66 8.233 8.233 7.699 0.534 18087 9447 1 19 . 1 1 67 67 GLY N N 67 108.642 108.642 106.842 1.800 18087 9448 1 19 . 1 1 67 67 GLY C C 67 172.757 172.757 172.658 0.099 18087 9449 1 19 . 1 1 67 67 GLY CA C 67 45.216 45.216 44.962 0.254 18087 9450 1 19 . 1 1 67 67 GLY H H 67 8.274 8.274 7.899 0.375 18087 9451 1 19 . 1 1 68 68 GLU N N 68 118.614 118.614 118.601 0.013 18087 9452 1 19 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.431 0.524 18087 9453 1 19 . 1 1 68 68 GLU C C 68 175.881 175.881 175.516 0.365 18087 9454 1 19 . 1 1 68 68 GLU CA C 68 55.365 55.365 56.066 -0.701 18087 9455 1 19 . 1 1 68 68 GLU CB C 68 33.488 33.488 31.144 2.344 18087 9456 1 19 . 1 1 68 68 GLU H H 68 8.404 8.404 8.267 0.137 18087 9457 1 19 . 1 1 69 69 VAL N N 69 117.572 117.572 121.781 -4.209 18087 9458 1 19 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.504 0.261 18087 9459 1 19 . 1 1 69 69 VAL C C 69 174.820 174.820 174.035 0.785 18087 9460 1 19 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.710 0.241 18087 9461 1 19 . 1 1 69 69 VAL CB C 69 34.352 34.352 34.947 -0.595 18087 9462 1 19 . 1 1 69 69 VAL H H 69 9.167 9.167 9.116 0.051 18087 9463 1 19 . 1 1 70 70 ASP N N 70 122.616 122.616 127.977 -5.361 18087 9464 1 19 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.057 0.157 18087 9465 1 19 . 1 1 70 70 ASP C C 70 175.822 175.822 176.460 -0.638 18087 9466 1 19 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.750 -1.374 18087 9467 1 19 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.457 -1.265 18087 9468 1 19 . 1 1 70 70 ASP H H 70 8.292 8.292 8.446 -0.154 18087 9469 1 19 . 1 1 71 71 PHE N N 71 119.243 119.243 119.214 0.029 18087 9470 1 19 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.472 -0.721 18087 9471 1 19 . 1 1 71 71 PHE C C 71 176.387 176.387 176.972 -0.585 18087 9472 1 19 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.523 1.442 18087 9473 1 19 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.119 0.022 18087 9474 1 19 . 1 1 71 71 PHE H H 71 8.889 8.889 8.541 0.348 18087 9475 1 19 . 1 1 72 72 GLN N N 72 116.655 116.655 117.096 -0.441 18087 9476 1 19 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.676 0.032 18087 9477 1 19 . 1 1 72 72 GLN C C 72 177.102 177.102 178.208 -1.106 18087 9478 1 19 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.210 0.065 18087 9479 1 19 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.512 -0.346 18087 9480 1 19 . 1 1 72 72 GLN H H 72 8.021 8.021 9.307 -1.286 18087 9481 1 19 . 1 1 73 73 GLU N N 73 119.195 119.195 119.482 -0.287 18087 9482 1 19 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.063 0.430 18087 9483 1 19 . 1 1 73 73 GLU CA C 73 55.179 55.179 58.683 -3.504 18087 9484 1 19 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.483 2.331 18087 9485 1 19 . 1 1 73 73 GLU H H 73 8.066 8.066 8.938 -0.872 18087 9486 1 19 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.162 -0.076 18087 9487 1 19 . 1 1 74 74 TYR CA C 74 60.497 60.497 61.330 -0.833 18087 9488 1 19 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.551 -0.725 18087 9489 1 19 . 1 1 75 75 VAL N N 75 120.072 120.072 116.232 3.840 18087 9490 1 19 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.108 -0.125 18087 9491 1 19 . 1 1 75 75 VAL C C 75 177.295 177.295 177.487 -0.192 18087 9492 1 19 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.397 0.295 18087 9493 1 19 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.105 0.513 18087 9494 1 19 . 1 1 75 75 VAL H H 75 8.291 8.291 8.338 -0.047 18087 9495 1 19 . 1 1 76 76 VAL N N 76 121.367 121.367 120.531 0.836 18087 9496 1 19 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.513 0.007 18087 9497 1 19 . 1 1 76 76 VAL C C 76 178.847 178.847 177.339 1.508 18087 9498 1 19 . 1 1 76 76 VAL CA C 76 66.553 66.553 66.000 0.553 18087 9499 1 19 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.363 0.025 18087 9500 1 19 . 1 1 76 76 VAL H H 76 7.571 7.571 7.197 0.374 18087 9501 1 19 . 1 1 77 77 LEU N N 77 123.054 123.054 121.124 1.930 18087 9502 1 19 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.955 0.174 18087 9503 1 19 . 1 1 77 77 LEU C C 77 179.065 179.065 178.122 0.943 18087 9504 1 19 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.138 0.354 18087 9505 1 19 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.716 -0.420 18087 9506 1 19 . 1 1 77 77 LEU H H 77 7.360 7.360 7.528 -0.168 18087 9507 1 19 . 1 1 78 78 VAL N N 78 119.163 119.163 115.962 3.201 18087 9508 1 19 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.580 -0.307 18087 9509 1 19 . 1 1 78 78 VAL C C 78 180.217 180.217 177.744 2.473 18087 9510 1 19 . 1 1 78 78 VAL CA C 78 67.270 67.270 66.332 0.938 18087 9511 1 19 . 1 1 78 78 VAL CB C 78 31.181 31.181 30.973 0.208 18087 9512 1 19 . 1 1 78 78 VAL H H 78 8.192 8.192 7.525 0.667 18087 9513 1 19 . 1 1 79 79 ALA N N 79 125.884 125.884 122.805 3.079 18087 9514 1 19 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.846 -0.049 18087 9515 1 19 . 1 1 79 79 ALA C C 79 178.708 178.708 178.938 -0.230 18087 9516 1 19 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.168 0.723 18087 9517 1 19 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.740 -0.377 18087 9518 1 19 . 1 1 79 79 ALA H H 79 9.067 9.067 8.674 0.393 18087 9519 1 19 . 1 1 80 80 ALA N N 80 121.108 121.108 121.830 -0.722 18087 9520 1 19 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.904 0.220 18087 9521 1 19 . 1 1 80 80 ALA C C 80 182.175 182.175 179.581 2.594 18087 9522 1 19 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.145 0.278 18087 9523 1 19 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.039 -0.370 18087 9524 1 19 . 1 1 80 80 ALA H H 80 7.776 7.776 8.605 -0.829 18087 9525 1 19 . 1 1 81 81 LEU N N 81 118.519 118.519 118.304 0.215 18087 9526 1 19 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.884 0.234 18087 9527 1 19 . 1 1 81 81 LEU C C 81 177.959 177.959 179.229 -1.270 18087 9528 1 19 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.821 -0.332 18087 9529 1 19 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.680 0.489 18087 9530 1 19 . 1 1 81 81 LEU H H 81 8.097 8.097 7.778 0.319 18087 9531 1 19 . 1 1 82 82 THR N N 82 119.572 119.572 116.202 3.370 18087 9532 1 19 . 1 1 82 82 THR HA H 82 3.777 3.777 2.699 1.078 18087 9533 1 19 . 1 1 82 82 THR C C 82 176.911 176.911 176.190 0.721 18087 9534 1 19 . 1 1 82 82 THR CA C 82 68.058 68.058 67.086 0.972 18087 9535 1 19 . 1 1 82 82 THR CB C 82 67.402 67.402 68.256 -0.854 18087 9536 1 19 . 1 1 82 82 THR H H 82 8.537 8.537 8.052 0.485 18087 9537 1 19 . 1 1 83 83 VAL N N 83 123.805 123.805 121.201 2.604 18087 9538 1 19 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.395 0.335 18087 9539 1 19 . 1 1 83 83 VAL C C 83 177.787 177.787 176.782 1.005 18087 9540 1 19 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.876 1.518 18087 9541 1 19 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.337 0.354 18087 9542 1 19 . 1 1 83 83 VAL H H 83 8.283 8.283 8.458 -0.175 18087 9543 1 19 . 1 1 84 84 ALA N N 84 121.134 121.134 122.433 -1.299 18087 9544 1 19 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.758 0.478 18087 9545 1 19 . 1 1 84 84 ALA C C 84 180.511 180.511 179.110 1.401 18087 9546 1 19 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.213 -0.038 18087 9547 1 19 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.216 -0.789 18087 9548 1 19 . 1 1 84 84 ALA H H 84 7.466 7.466 7.943 -0.477 18087 9549 1 19 . 1 1 85 85 MET N N 85 121.755 121.755 116.926 4.829 18087 9550 1 19 . 1 1 85 85 MET HA H 85 3.796 3.796 4.646 -0.850 18087 9551 1 19 . 1 1 85 85 MET CA C 85 59.656 59.656 58.447 1.210 18087 9552 1 19 . 1 1 85 85 MET CB C 85 33.653 33.653 33.349 0.304 18087 9553 1 19 . 1 1 85 85 MET H H 85 8.549 8.549 7.927 0.622 18087 9554 1 19 . 1 1 86 86 ASN N N 86 119.410 119.410 118.927 0.483 18087 9555 1 19 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.808 -0.656 18087 9556 1 19 . 1 1 86 86 ASN C C 86 176.834 176.834 177.415 -0.581 18087 9557 1 19 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.489 1.573 18087 9558 1 19 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.420 1.510 18087 9559 1 19 . 1 1 86 86 ASN H H 86 8.615 8.615 8.719 -0.104 18087 9560 1 19 . 1 1 87 87 ASN N N 87 117.077 117.077 118.686 -1.609 18087 9561 1 19 . 1 1 87 87 ASN HA H 87 4.446 4.446 2.389 2.057 18087 9562 1 19 . 1 1 87 87 ASN C C 87 176.906 176.906 176.944 -0.038 18087 9563 1 19 . 1 1 87 87 ASN CA C 87 55.602 55.602 55.191 0.412 18087 9564 1 19 . 1 1 87 87 ASN CB C 87 37.576 37.576 37.678 -0.102 18087 9565 1 19 . 1 1 87 87 ASN H H 87 8.286 8.286 8.150 0.136 18087 9566 1 19 . 1 1 88 88 PHE N N 88 119.698 119.698 118.259 1.439 18087 9567 1 19 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.419 0.059 18087 9568 1 19 . 1 1 88 88 PHE C C 88 177.057 177.057 178.087 -1.030 18087 9569 1 19 . 1 1 88 88 PHE CA C 88 59.546 59.546 60.449 -0.903 18087 9570 1 19 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.356 1.255 18087 9571 1 19 . 1 1 88 88 PHE H H 88 7.909 7.909 7.360 0.549 18087 9572 1 19 . 1 1 89 89 PHE N N 89 116.219 116.219 119.935 -3.716 18087 9573 1 19 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.476 -0.266 18087 9574 1 19 . 1 1 89 89 PHE C C 89 177.637 177.637 177.817 -0.180 18087 9575 1 19 . 1 1 89 89 PHE CA C 89 58.752 58.752 62.378 -3.626 18087 9576 1 19 . 1 1 89 89 PHE CB C 89 39.781 39.781 38.349 1.432 18087 9577 1 19 . 1 1 89 89 PHE H H 89 8.049 8.049 9.003 -0.954 18087 9578 1 19 . 1 1 90 90 TRP N N 90 117.712 117.712 118.344 -0.632 18087 9579 1 19 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.509 0.019 18087 9580 1 19 . 1 1 90 90 TRP C C 90 176.741 176.741 178.126 -1.385 18087 9581 1 19 . 1 1 90 90 TRP CA C 90 58.109 58.109 57.792 0.317 18087 9582 1 19 . 1 1 90 90 TRP CB C 90 29.720 29.720 28.367 1.353 18087 9583 1 19 . 1 1 90 90 TRP H H 90 8.257 8.257 7.540 0.717 18087 9584 1 19 . 1 1 91 91 GLU N N 91 120.493 120.493 118.247 2.246 18087 9585 1 19 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.204 0.224 18087 9586 1 19 . 1 1 91 91 GLU C C 91 176.393 176.393 176.864 -0.471 18087 9587 1 19 . 1 1 91 91 GLU CA C 91 57.193 57.193 58.322 -1.129 18087 9588 1 19 . 1 1 91 91 GLU CB C 91 29.850 29.850 30.180 -0.330 18087 9589 1 19 . 1 1 91 91 GLU H H 91 7.988 7.988 7.949 0.039 18087 9590 1 19 . 1 1 92 92 ASN N N 92 119.006 119.006 118.532 0.474 18087 9591 1 19 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.843 -0.056 18087 9592 1 19 . 1 1 92 92 ASN C C 92 174.284 174.284 173.586 0.698 18087 9593 1 19 . 1 1 92 92 ASN CA C 92 53.198 53.198 53.004 0.194 18087 9594 1 19 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.336 0.897 18087 9595 1 19 . 1 1 92 92 ASN H H 92 8.203 8.203 8.542 -0.339 18087 9596 1 20 . 1 1 2 2 SER N N 2 117.254 117.254 120.094 -2.840 18087 9597 1 20 . 1 1 2 2 SER HA H 2 4.737 4.737 4.500 0.237 18087 9598 1 20 . 1 1 2 2 SER C C 2 175.320 175.320 175.606 -0.286 18087 9599 1 20 . 1 1 2 2 SER CA C 2 57.476 57.476 57.646 -0.170 18087 9600 1 20 . 1 1 2 2 SER CB C 2 64.594 64.594 64.297 0.297 18087 9601 1 20 . 1 1 2 2 SER H H 2 8.686 8.686 9.427 -0.741 18087 9602 1 20 . 1 1 3 3 GLU N N 3 124.640 124.640 122.008 2.632 18087 9603 1 20 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.007 0.101 18087 9604 1 20 . 1 1 3 3 GLU C C 3 178.972 178.972 178.311 0.661 18087 9605 1 20 . 1 1 3 3 GLU CA C 3 60.375 60.375 60.777 -0.402 18087 9606 1 20 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.286 0.458 18087 9607 1 20 . 1 1 3 3 GLU H H 3 9.242 9.242 8.887 0.355 18087 9608 1 20 . 1 1 4 4 LEU N N 4 119.682 119.682 120.403 -0.721 18087 9609 1 20 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.194 -0.242 18087 9610 1 20 . 1 1 4 4 LEU C C 4 178.027 178.027 179.198 -1.171 18087 9611 1 20 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.001 0.178 18087 9612 1 20 . 1 1 4 4 LEU CB C 4 42.308 42.308 40.579 1.729 18087 9613 1 20 . 1 1 4 4 LEU H H 4 8.952 8.952 8.241 0.711 18087 9614 1 20 . 1 1 5 5 GLU N N 5 118.542 118.542 118.985 -0.443 18087 9615 1 20 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.075 -0.283 18087 9616 1 20 . 1 1 5 5 GLU C C 5 178.389 178.389 179.459 -1.070 18087 9617 1 20 . 1 1 5 5 GLU CA C 5 60.051 60.051 59.780 0.271 18087 9618 1 20 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.514 0.469 18087 9619 1 20 . 1 1 5 5 GLU H H 5 7.968 7.968 8.580 -0.612 18087 9620 1 20 . 1 1 6 6 THR N N 6 114.278 114.278 116.853 -2.575 18087 9621 1 20 . 1 1 6 6 THR HA H 6 4.015 4.015 4.246 -0.231 18087 9622 1 20 . 1 1 6 6 THR C C 6 176.990 176.990 177.082 -0.092 18087 9623 1 20 . 1 1 6 6 THR CA C 6 66.450 66.450 66.449 0.001 18087 9624 1 20 . 1 1 6 6 THR CB C 6 68.637 68.637 68.640 -0.003 18087 9625 1 20 . 1 1 6 6 THR H H 6 8.177 8.177 8.759 -0.582 18087 9626 1 20 . 1 1 7 7 ALA N N 7 126.659 126.659 126.449 0.210 18087 9627 1 20 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.090 0.073 18087 9628 1 20 . 1 1 7 7 ALA C C 7 179.338 179.338 179.583 -0.245 18087 9629 1 20 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.275 0.540 18087 9630 1 20 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.242 -0.058 18087 9631 1 20 . 1 1 7 7 ALA H H 7 8.166 8.166 9.047 -0.881 18087 9632 1 20 . 1 1 8 8 MET N N 8 117.727 117.727 116.905 0.822 18087 9633 1 20 . 1 1 8 8 MET HA H 8 3.731 3.731 4.298 -0.567 18087 9634 1 20 . 1 1 8 8 MET C C 8 178.071 178.071 179.039 -0.968 18087 9635 1 20 . 1 1 8 8 MET CA C 8 60.447 60.447 57.168 3.279 18087 9636 1 20 . 1 1 8 8 MET CB C 8 34.928 34.928 31.387 3.541 18087 9637 1 20 . 1 1 8 8 MET H H 8 8.090 8.090 8.041 0.049 18087 9638 1 20 . 1 1 9 9 GLU N N 9 117.303 117.303 120.561 -3.258 18087 9639 1 20 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.967 -0.060 18087 9640 1 20 . 1 1 9 9 GLU C C 9 179.261 179.261 179.007 0.254 18087 9641 1 20 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.722 0.308 18087 9642 1 20 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.423 0.076 18087 9643 1 20 . 1 1 9 9 GLU H H 9 8.603 8.603 8.483 0.120 18087 9644 1 20 . 1 1 10 10 THR N N 10 117.583 117.583 118.115 -0.532 18087 9645 1 20 . 1 1 10 10 THR HA H 10 4.088 4.088 4.064 0.024 18087 9646 1 20 . 1 1 10 10 THR C C 10 175.758 175.758 176.693 -0.935 18087 9647 1 20 . 1 1 10 10 THR CA C 10 67.439 67.439 67.549 -0.110 18087 9648 1 20 . 1 1 10 10 THR CB C 10 68.014 68.014 68.555 -0.541 18087 9649 1 20 . 1 1 10 10 THR H H 10 8.483 8.483 8.827 -0.344 18087 9650 1 20 . 1 1 11 11 LEU N N 11 119.623 119.623 122.186 -2.563 18087 9651 1 20 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.349 -0.379 18087 9652 1 20 . 1 1 11 11 LEU C C 11 178.935 178.935 179.360 -0.425 18087 9653 1 20 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.373 0.802 18087 9654 1 20 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.685 0.176 18087 9655 1 20 . 1 1 11 11 LEU H H 11 8.013 8.013 8.080 -0.067 18087 9656 1 20 . 1 1 12 12 ILE N N 12 119.751 119.751 120.426 -0.675 18087 9657 1 20 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.718 0.275 18087 9658 1 20 . 1 1 12 12 ILE C C 12 177.717 177.717 178.240 -0.523 18087 9659 1 20 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.328 1.420 18087 9660 1 20 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.342 2.924 18087 9661 1 20 . 1 1 12 12 ILE H H 12 7.708 7.708 8.708 -1.000 18087 9662 1 20 . 1 1 13 13 ASN N N 13 121.260 121.260 119.706 1.554 18087 9663 1 20 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.501 0.066 18087 9664 1 20 . 1 1 13 13 ASN C C 13 178.941 178.941 178.253 0.688 18087 9665 1 20 . 1 1 13 13 ASN CA C 13 56.339 56.339 57.284 -0.945 18087 9666 1 20 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.598 -0.504 18087 9667 1 20 . 1 1 13 13 ASN H H 13 9.125 9.125 8.855 0.270 18087 9668 1 20 . 1 1 14 14 VAL N N 14 120.868 120.868 120.677 0.191 18087 9669 1 20 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.791 0.076 18087 9670 1 20 . 1 1 14 14 VAL C C 14 177.827 177.827 177.790 0.037 18087 9671 1 20 . 1 1 14 14 VAL CA C 14 66.715 66.715 67.115 -0.400 18087 9672 1 20 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.833 0.069 18087 9673 1 20 . 1 1 14 14 VAL H H 14 8.965 8.965 8.335 0.630 18087 9674 1 20 . 1 1 15 15 PHE N N 15 117.672 117.672 120.954 -3.282 18087 9675 1 20 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.952 -0.506 18087 9676 1 20 . 1 1 15 15 PHE C C 15 177.713 177.713 177.459 0.254 18087 9677 1 20 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.396 0.045 18087 9678 1 20 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.404 -0.223 18087 9679 1 20 . 1 1 15 15 PHE H H 15 6.968 6.968 9.082 -2.114 18087 9680 1 20 . 1 1 16 16 HIS N N 16 115.122 115.122 118.358 -3.236 18087 9681 1 20 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.216 0.153 18087 9682 1 20 . 1 1 16 16 HIS C C 16 176.987 176.987 177.665 -0.678 18087 9683 1 20 . 1 1 16 16 HIS CA C 16 58.413 58.413 60.660 -2.248 18087 9684 1 20 . 1 1 16 16 HIS CB C 16 28.260 28.260 30.169 -1.909 18087 9685 1 20 . 1 1 16 16 HIS H H 16 8.020 8.020 9.364 -1.344 18087 9686 1 20 . 1 1 17 17 ALA N N 17 122.533 122.533 122.280 0.253 18087 9687 1 20 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.946 0.171 18087 9688 1 20 . 1 1 17 17 ALA CA C 17 54.064 54.064 55.079 -1.015 18087 9689 1 20 . 1 1 17 17 ALA CB C 17 17.908 17.908 18.006 -0.098 18087 9690 1 20 . 1 1 17 17 ALA H H 17 8.282 8.282 8.588 -0.306 18087 9691 1 20 . 1 1 18 18 HIS N N 18 113.127 113.127 116.465 -3.338 18087 9692 1 20 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.289 0.119 18087 9693 1 20 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.212 -1.964 18087 9694 1 20 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.595 1.667 18087 9695 1 20 . 1 1 18 18 HIS H H 18 7.124 7.124 8.456 -1.332 18087 9696 1 20 . 1 1 19 19 SER HA H 19 3.963 3.963 4.171 -0.208 18087 9697 1 20 . 1 1 19 19 SER CA C 19 59.969 59.969 62.063 -2.094 18087 9698 1 20 . 1 1 19 19 SER CB C 19 62.416 62.416 62.441 -0.025 18087 9699 1 20 . 1 1 20 20 GLY N N 20 107.243 107.243 108.069 -0.826 18087 9700 1 20 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.439 -0.325 18087 9701 1 20 . 1 1 20 20 GLY H H 20 7.915 7.915 8.189 -0.274 18087 9702 1 20 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.068 -0.111 18087 9703 1 20 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.586 -0.541 18087 9704 1 20 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.460 -0.523 18087 9705 1 20 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.300 -0.258 18087 9706 1 20 . 1 1 22 22 GLU CA C 22 58.755 58.755 56.519 2.236 18087 9707 1 20 . 1 1 22 22 GLU CB C 22 30.184 30.184 30.418 -0.234 18087 9708 1 20 . 1 1 23 23 GLY N N 23 111.113 111.113 109.816 1.297 18087 9709 1 20 . 1 1 23 23 GLY CA C 23 46.790 46.790 45.011 1.779 18087 9710 1 20 . 1 1 23 23 GLY H H 23 8.435 8.435 7.825 0.610 18087 9711 1 20 . 1 1 24 24 ASP N N 24 123.994 123.994 120.622 3.372 18087 9712 1 20 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.631 -0.135 18087 9713 1 20 . 1 1 24 24 ASP CA C 24 54.286 54.286 53.143 1.143 18087 9714 1 20 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.632 -0.630 18087 9715 1 20 . 1 1 24 24 ASP H H 24 8.501 8.501 7.808 0.693 18087 9716 1 20 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.036 0.406 18087 9717 1 20 . 1 1 25 25 LYS CA C 25 56.523 56.523 57.883 -1.360 18087 9718 1 20 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.687 0.584 18087 9719 1 20 . 1 1 26 26 TYR N N 26 119.967 119.967 112.723 7.244 18087 9720 1 20 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.459 0.333 18087 9721 1 20 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.613 0.406 18087 9722 1 20 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.811 -0.380 18087 9723 1 20 . 1 1 26 26 TYR H H 26 8.712 8.712 8.275 0.437 18087 9724 1 20 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.910 0.389 18087 9725 1 20 . 1 1 27 27 LYS C C 27 174.308 174.308 173.876 0.432 18087 9726 1 20 . 1 1 27 27 LYS CA C 27 54.365 54.365 55.009 -0.644 18087 9727 1 20 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.333 0.062 18087 9728 1 20 . 1 1 28 28 LEU N N 28 121.194 121.194 122.978 -1.784 18087 9729 1 20 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.616 0.104 18087 9730 1 20 . 1 1 28 28 LEU C C 28 178.895 178.895 174.618 4.277 18087 9731 1 20 . 1 1 28 28 LEU CA C 28 52.968 52.968 52.820 0.148 18087 9732 1 20 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.629 0.582 18087 9733 1 20 . 1 1 28 28 LEU H H 28 8.632 8.632 8.995 -0.363 18087 9734 1 20 . 1 1 29 29 SER N N 29 119.705 119.705 121.674 -1.969 18087 9735 1 20 . 1 1 29 29 SER HA H 29 4.987 4.987 4.638 0.349 18087 9736 1 20 . 1 1 29 29 SER C C 29 175.742 175.742 175.281 0.461 18087 9737 1 20 . 1 1 29 29 SER CA C 29 57.873 57.873 58.202 -0.329 18087 9738 1 20 . 1 1 29 29 SER CB C 29 64.531 64.531 64.575 -0.044 18087 9739 1 20 . 1 1 29 29 SER H H 29 8.901 8.901 9.662 -0.761 18087 9740 1 20 . 1 1 30 30 LYS N N 30 124.208 124.208 122.767 1.441 18087 9741 1 20 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.158 -0.344 18087 9742 1 20 . 1 1 30 30 LYS C C 30 178.469 178.469 178.390 0.079 18087 9743 1 20 . 1 1 30 30 LYS CA C 30 61.433 61.433 58.029 3.404 18087 9744 1 20 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.753 0.516 18087 9745 1 20 . 1 1 30 30 LYS H H 30 8.836 8.836 8.857 -0.021 18087 9746 1 20 . 1 1 31 31 LYS N N 31 119.570 119.570 119.935 -0.365 18087 9747 1 20 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.058 -0.012 18087 9748 1 20 . 1 1 31 31 LYS C C 31 179.409 179.409 178.760 0.649 18087 9749 1 20 . 1 1 31 31 LYS CA C 31 59.223 59.223 59.939 -0.716 18087 9750 1 20 . 1 1 31 31 LYS CB C 31 32.386 32.386 32.041 0.345 18087 9751 1 20 . 1 1 31 31 LYS H H 31 8.597 8.597 8.298 0.299 18087 9752 1 20 . 1 1 32 32 GLU N N 32 119.551 119.551 118.397 1.154 18087 9753 1 20 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.227 -0.181 18087 9754 1 20 . 1 1 32 32 GLU CA C 32 58.998 58.998 57.589 1.409 18087 9755 1 20 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.816 -1.346 18087 9756 1 20 . 1 1 32 32 GLU H H 32 7.442 7.442 7.462 -0.020 18087 9757 1 20 . 1 1 33 33 LEU N N 33 121.725 121.725 122.090 -0.365 18087 9758 1 20 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.937 0.131 18087 9759 1 20 . 1 1 33 33 LEU C C 33 177.279 177.279 178.593 -1.314 18087 9760 1 20 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.521 -1.125 18087 9761 1 20 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.598 -1.013 18087 9762 1 20 . 1 1 33 33 LEU H H 33 8.579 8.579 8.332 0.247 18087 9763 1 20 . 1 1 34 34 LYS N N 34 120.543 120.543 117.835 2.708 18087 9764 1 20 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.982 -0.346 18087 9765 1 20 . 1 1 34 34 LYS C C 34 177.868 177.868 179.010 -1.142 18087 9766 1 20 . 1 1 34 34 LYS CA C 34 60.704 60.704 59.966 0.738 18087 9767 1 20 . 1 1 34 34 LYS CB C 34 31.870 31.870 32.240 -0.370 18087 9768 1 20 . 1 1 34 34 LYS H H 34 8.618 8.618 7.589 1.029 18087 9769 1 20 . 1 1 35 35 GLU N N 35 117.340 117.340 119.589 -2.249 18087 9770 1 20 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.314 -0.307 18087 9771 1 20 . 1 1 35 35 GLU C C 35 179.008 179.008 179.282 -0.274 18087 9772 1 20 . 1 1 35 35 GLU CA C 35 59.366 59.366 59.084 0.283 18087 9773 1 20 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.861 -0.666 18087 9774 1 20 . 1 1 35 35 GLU H H 35 7.713 7.713 7.821 -0.108 18087 9775 1 20 . 1 1 36 36 LEU N N 36 122.745 122.745 122.462 0.283 18087 9776 1 20 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.321 -0.308 18087 9777 1 20 . 1 1 36 36 LEU C C 36 178.646 178.646 178.399 0.247 18087 9778 1 20 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.413 -0.037 18087 9779 1 20 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.301 0.587 18087 9780 1 20 . 1 1 36 36 LEU H H 36 8.150 8.150 8.886 -0.736 18087 9781 1 20 . 1 1 37 37 LEU N N 37 118.881 118.881 120.387 -1.506 18087 9782 1 20 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.068 -0.320 18087 9783 1 20 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.633 -0.272 18087 9784 1 20 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.187 0.226 18087 9785 1 20 . 1 1 37 37 LEU H H 37 8.495 8.495 8.036 0.459 18087 9786 1 20 . 1 1 38 38 GLN N N 38 115.311 115.311 117.026 -1.715 18087 9787 1 20 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.057 -0.268 18087 9788 1 20 . 1 1 38 38 GLN C C 38 177.826 177.826 178.079 -0.253 18087 9789 1 20 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.739 0.121 18087 9790 1 20 . 1 1 38 38 GLN CB C 38 28.321 28.321 27.997 0.324 18087 9791 1 20 . 1 1 38 38 GLN H H 38 8.348 8.348 7.824 0.524 18087 9792 1 20 . 1 1 39 39 THR N N 39 112.151 112.151 117.187 -5.036 18087 9793 1 20 . 1 1 39 39 THR HA H 39 4.186 4.186 4.012 0.174 18087 9794 1 20 . 1 1 39 39 THR C C 39 177.166 177.166 177.362 -0.196 18087 9795 1 20 . 1 1 39 39 THR CA C 39 65.284 65.284 66.861 -1.577 18087 9796 1 20 . 1 1 39 39 THR CB C 39 69.179 69.179 68.534 0.645 18087 9797 1 20 . 1 1 39 39 THR H H 39 7.872 7.872 8.100 -0.228 18087 9798 1 20 . 1 1 40 40 GLU N N 40 119.602 119.602 122.109 -2.507 18087 9799 1 20 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.291 0.075 18087 9800 1 20 . 1 1 40 40 GLU C C 40 178.228 178.228 178.218 0.010 18087 9801 1 20 . 1 1 40 40 GLU CA C 40 58.623 58.623 59.336 -0.713 18087 9802 1 20 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.929 1.005 18087 9803 1 20 . 1 1 40 40 GLU H H 40 8.713 8.713 8.893 -0.180 18087 9804 1 20 . 1 1 41 41 LEU N N 41 118.018 118.018 120.525 -2.507 18087 9805 1 20 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.747 0.385 18087 9806 1 20 . 1 1 41 41 LEU C C 41 176.993 176.993 176.920 0.073 18087 9807 1 20 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.613 -0.794 18087 9808 1 20 . 1 1 41 41 LEU CB C 41 41.962 41.962 41.169 0.793 18087 9809 1 20 . 1 1 41 41 LEU H H 41 8.243 8.243 8.356 -0.113 18087 9810 1 20 . 1 1 42 42 SER N N 42 114.483 114.483 117.365 -2.882 18087 9811 1 20 . 1 1 42 42 SER HA H 42 3.950 3.950 4.315 -0.365 18087 9812 1 20 . 1 1 42 42 SER C C 42 176.651 176.651 176.828 -0.177 18087 9813 1 20 . 1 1 42 42 SER CA C 42 62.225 62.225 62.341 -0.116 18087 9814 1 20 . 1 1 42 42 SER CB C 42 62.675 62.675 62.908 -0.233 18087 9815 1 20 . 1 1 42 42 SER H H 42 7.019 7.019 7.532 -0.513 18087 9816 1 20 . 1 1 43 43 GLY N N 43 109.381 109.381 109.401 -0.020 18087 9817 1 20 . 1 1 43 43 GLY C C 43 176.476 176.476 175.841 0.635 18087 9818 1 20 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.816 0.203 18087 9819 1 20 . 1 1 43 43 GLY H H 43 8.666 8.666 8.709 -0.043 18087 9820 1 20 . 1 1 44 44 PHE N N 44 124.390 124.390 121.282 3.108 18087 9821 1 20 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.450 -0.123 18087 9822 1 20 . 1 1 44 44 PHE C C 44 176.516 176.516 177.796 -1.280 18087 9823 1 20 . 1 1 44 44 PHE CA C 44 60.094 60.094 59.850 0.244 18087 9824 1 20 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.704 0.520 18087 9825 1 20 . 1 1 44 44 PHE H H 44 8.226 8.226 7.677 0.549 18087 9826 1 20 . 1 1 45 45 LEU N N 45 117.156 117.156 120.631 -3.475 18087 9827 1 20 . 1 1 45 45 LEU HA H 45 3.418 3.418 4.042 -0.624 18087 9828 1 20 . 1 1 45 45 LEU C C 45 179.673 179.673 178.741 0.932 18087 9829 1 20 . 1 1 45 45 LEU CA C 45 57.522 57.522 57.912 -0.390 18087 9830 1 20 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.535 -0.921 18087 9831 1 20 . 1 1 45 45 LEU H H 45 8.627 8.627 8.958 -0.331 18087 9832 1 20 . 1 1 46 46 ASP N N 46 117.663 117.663 120.002 -2.339 18087 9833 1 20 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.308 0.037 18087 9834 1 20 . 1 1 46 46 ASP C C 46 177.844 177.844 178.609 -0.765 18087 9835 1 20 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.457 -0.673 18087 9836 1 20 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.798 0.332 18087 9837 1 20 . 1 1 46 46 ASP H H 46 7.933 7.933 8.729 -0.796 18087 9838 1 20 . 1 1 47 47 ALA N N 47 119.795 119.795 119.583 0.212 18087 9839 1 20 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.137 0.066 18087 9840 1 20 . 1 1 47 47 ALA C C 47 179.300 179.300 177.952 1.348 18087 9841 1 20 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.100 -0.738 18087 9842 1 20 . 1 1 47 47 ALA CB C 47 19.011 19.011 19.081 -0.070 18087 9843 1 20 . 1 1 47 47 ALA H H 47 7.380 7.380 7.608 -0.228 18087 9844 1 20 . 1 1 48 48 GLN N N 48 115.955 115.955 115.390 0.565 18087 9845 1 20 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.534 -0.264 18087 9846 1 20 . 1 1 48 48 GLN C C 48 175.355 175.355 176.386 -1.031 18087 9847 1 20 . 1 1 48 48 GLN CA C 48 54.026 54.026 54.760 -0.734 18087 9848 1 20 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.820 0.740 18087 9849 1 20 . 1 1 48 48 GLN H H 48 7.369 7.369 7.692 -0.323 18087 9850 1 20 . 1 1 49 49 LYS N N 49 119.402 119.402 121.505 -2.103 18087 9851 1 20 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.085 -0.069 18087 9852 1 20 . 1 1 49 49 LYS C C 49 176.255 176.255 176.939 -0.684 18087 9853 1 20 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.635 -1.451 18087 9854 1 20 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.467 -0.364 18087 9855 1 20 . 1 1 49 49 LYS H H 49 7.152 7.152 7.578 -0.426 18087 9856 1 20 . 1 1 50 50 ASP N N 50 117.172 117.172 117.804 -0.632 18087 9857 1 20 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.813 -0.218 18087 9858 1 20 . 1 1 50 50 ASP C C 50 175.916 175.916 175.091 0.825 18087 9859 1 20 . 1 1 50 50 ASP CA C 50 54.217 54.217 53.569 0.648 18087 9860 1 20 . 1 1 50 50 ASP CB C 50 40.309 40.309 40.831 -0.522 18087 9861 1 20 . 1 1 50 50 ASP H H 50 8.338 8.338 8.287 0.051 18087 9862 1 20 . 1 1 51 51 VAL N N 51 121.648 121.648 119.742 1.906 18087 9863 1 20 . 1 1 51 51 VAL HA H 51 3.997 3.997 4.210 -0.213 18087 9864 1 20 . 1 1 51 51 VAL C C 51 177.128 177.128 175.906 1.222 18087 9865 1 20 . 1 1 51 51 VAL CA C 51 62.404 62.404 61.354 1.050 18087 9866 1 20 . 1 1 51 51 VAL CB C 51 31.921 31.921 34.163 -2.242 18087 9867 1 20 . 1 1 51 51 VAL H H 51 7.604 7.604 7.214 0.390 18087 9868 1 20 . 1 1 52 52 ASP N N 52 129.202 129.202 127.902 1.300 18087 9869 1 20 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.292 -0.019 18087 9870 1 20 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.293 0.890 18087 9871 1 20 . 1 1 52 52 ASP CB C 52 40.935 40.935 40.835 0.100 18087 9872 1 20 . 1 1 52 52 ASP H H 52 8.702 8.702 9.063 -0.361 18087 9873 1 20 . 1 1 53 53 ALA N N 53 118.401 118.401 122.786 -4.385 18087 9874 1 20 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.159 -0.147 18087 9875 1 20 . 1 1 53 53 ALA C C 53 179.448 179.448 179.540 -0.092 18087 9876 1 20 . 1 1 53 53 ALA CA C 53 55.053 55.053 54.882 0.171 18087 9877 1 20 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.038 1.326 18087 9878 1 20 . 1 1 53 53 ALA H H 53 8.478 8.478 8.473 0.005 18087 9879 1 20 . 1 1 54 54 VAL N N 54 115.050 115.050 118.047 -2.997 18087 9880 1 20 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.734 -0.192 18087 9881 1 20 . 1 1 54 54 VAL C C 54 177.000 177.000 176.828 0.172 18087 9882 1 20 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.445 -1.225 18087 9883 1 20 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.346 0.712 18087 9884 1 20 . 1 1 54 54 VAL H H 54 6.988 6.988 7.773 -0.785 18087 9885 1 20 . 1 1 55 55 ASP N N 55 120.834 120.834 119.893 0.941 18087 9886 1 20 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.396 -0.118 18087 9887 1 20 . 1 1 55 55 ASP C C 55 178.307 178.307 178.886 -0.579 18087 9888 1 20 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.340 0.283 18087 9889 1 20 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.812 0.966 18087 9890 1 20 . 1 1 55 55 ASP H H 55 8.157 8.157 7.711 0.446 18087 9891 1 20 . 1 1 56 56 LYS N N 56 115.672 115.672 120.098 -4.426 18087 9892 1 20 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.096 -0.208 18087 9893 1 20 . 1 1 56 56 LYS C C 56 179.372 179.372 179.108 0.264 18087 9894 1 20 . 1 1 56 56 LYS CA C 56 59.608 59.608 58.640 0.968 18087 9895 1 20 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.290 0.088 18087 9896 1 20 . 1 1 56 56 LYS H H 56 8.348 8.348 8.295 0.053 18087 9897 1 20 . 1 1 57 57 VAL N N 57 118.238 118.238 120.267 -2.029 18087 9898 1 20 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.618 0.111 18087 9899 1 20 . 1 1 57 57 VAL C C 57 177.541 177.541 178.096 -0.555 18087 9900 1 20 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.820 -1.118 18087 9901 1 20 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.798 0.120 18087 9902 1 20 . 1 1 57 57 VAL H H 57 7.003 7.003 8.598 -1.595 18087 9903 1 20 . 1 1 58 58 MET N N 58 115.998 115.998 117.486 -1.488 18087 9904 1 20 . 1 1 58 58 MET HA H 58 4.313 4.313 4.134 0.179 18087 9905 1 20 . 1 1 58 58 MET C C 58 179.857 179.857 177.822 2.035 18087 9906 1 20 . 1 1 58 58 MET CA C 58 56.717 56.717 58.974 -2.256 18087 9907 1 20 . 1 1 58 58 MET CB C 58 32.366 32.366 32.072 0.294 18087 9908 1 20 . 1 1 58 58 MET H H 58 7.836 7.836 8.636 -0.800 18087 9909 1 20 . 1 1 59 59 LYS N N 59 119.682 119.682 120.699 -1.017 18087 9910 1 20 . 1 1 59 59 LYS HA H 59 4.088 4.088 3.969 0.119 18087 9911 1 20 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.545 -0.103 18087 9912 1 20 . 1 1 59 59 LYS CB C 59 32.504 32.504 31.622 0.882 18087 9913 1 20 . 1 1 59 59 LYS H H 59 8.619 8.619 7.859 0.760 18087 9914 1 20 . 1 1 60 60 GLU N N 60 119.917 119.917 120.019 -0.102 18087 9915 1 20 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.048 -0.112 18087 9916 1 20 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.641 -0.401 18087 9917 1 20 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.445 0.644 18087 9918 1 20 . 1 1 60 60 GLU H H 60 7.721 7.721 7.692 0.029 18087 9919 1 20 . 1 1 61 61 LEU N N 61 116.614 116.614 118.369 -1.755 18087 9920 1 20 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.084 -0.061 18087 9921 1 20 . 1 1 61 61 LEU C C 61 175.845 175.845 178.663 -2.818 18087 9922 1 20 . 1 1 61 61 LEU CA C 61 56.515 56.515 58.269 -1.754 18087 9923 1 20 . 1 1 61 61 LEU CB C 61 41.218 41.218 41.392 -0.174 18087 9924 1 20 . 1 1 61 61 LEU H H 61 7.429 7.429 7.516 -0.087 18087 9925 1 20 . 1 1 62 62 ASP N N 62 116.147 116.147 117.500 -1.353 18087 9926 1 20 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.442 0.081 18087 9927 1 20 . 1 1 62 62 ASP C C 62 177.790 177.790 179.588 -1.798 18087 9928 1 20 . 1 1 62 62 ASP CA C 62 55.426 55.426 56.867 -1.441 18087 9929 1 20 . 1 1 62 62 ASP CB C 62 41.880 41.880 41.434 0.447 18087 9930 1 20 . 1 1 62 62 ASP H H 62 7.423 7.423 8.252 -0.829 18087 9931 1 20 . 1 1 63 63 GLU N N 63 119.660 119.660 119.570 0.090 18087 9932 1 20 . 1 1 63 63 GLU HA H 63 4.136 4.136 4.016 0.120 18087 9933 1 20 . 1 1 63 63 GLU CA C 63 57.377 57.377 58.824 -1.447 18087 9934 1 20 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.682 0.307 18087 9935 1 20 . 1 1 63 63 GLU H H 63 7.837 7.837 8.846 -1.009 18087 9936 1 20 . 1 1 64 64 ASN N N 64 118.376 118.376 116.342 2.034 18087 9937 1 20 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.771 0.091 18087 9938 1 20 . 1 1 64 64 ASN C C 64 176.216 176.216 176.562 -0.346 18087 9939 1 20 . 1 1 64 64 ASN CA C 64 52.688 52.688 52.727 -0.039 18087 9940 1 20 . 1 1 64 64 ASN CB C 64 38.185 38.185 38.939 -0.754 18087 9941 1 20 . 1 1 64 64 ASN H H 64 8.012 8.012 8.530 -0.518 18087 9942 1 20 . 1 1 65 65 GLY N N 65 107.248 107.248 107.317 -0.069 18087 9943 1 20 . 1 1 65 65 GLY C C 65 173.971 173.971 174.429 -0.458 18087 9944 1 20 . 1 1 65 65 GLY CA C 65 47.136 47.136 44.953 2.183 18087 9945 1 20 . 1 1 65 65 GLY H H 65 7.989 7.989 8.015 -0.026 18087 9946 1 20 . 1 1 66 66 ASP N N 66 116.989 116.989 120.265 -3.276 18087 9947 1 20 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.379 0.409 18087 9948 1 20 . 1 1 66 66 ASP C C 66 177.289 177.289 176.575 0.714 18087 9949 1 20 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.332 -2.166 18087 9950 1 20 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.038 -0.051 18087 9951 1 20 . 1 1 66 66 ASP H H 66 8.233 8.233 7.919 0.314 18087 9952 1 20 . 1 1 67 67 GLY N N 67 108.642 108.642 106.397 2.245 18087 9953 1 20 . 1 1 67 67 GLY C C 67 172.757 172.757 173.118 -0.361 18087 9954 1 20 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.907 -0.691 18087 9955 1 20 . 1 1 67 67 GLY H H 67 8.274 8.274 7.935 0.339 18087 9956 1 20 . 1 1 68 68 GLU N N 68 118.614 118.614 119.210 -0.596 18087 9957 1 20 . 1 1 68 68 GLU HA H 68 4.955 4.955 5.285 -0.330 18087 9958 1 20 . 1 1 68 68 GLU C C 68 175.881 175.881 174.908 0.973 18087 9959 1 20 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.035 0.331 18087 9960 1 20 . 1 1 68 68 GLU CB C 68 33.488 33.488 33.146 0.342 18087 9961 1 20 . 1 1 68 68 GLU H H 68 8.404 8.404 7.735 0.669 18087 9962 1 20 . 1 1 69 69 VAL N N 69 117.572 117.572 119.537 -1.965 18087 9963 1 20 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.827 -0.062 18087 9964 1 20 . 1 1 69 69 VAL C C 69 174.820 174.820 173.700 1.120 18087 9965 1 20 . 1 1 69 69 VAL CA C 69 59.951 59.951 60.199 -0.248 18087 9966 1 20 . 1 1 69 69 VAL CB C 69 34.352 34.352 35.027 -0.675 18087 9967 1 20 . 1 1 69 69 VAL H H 69 9.167 9.167 9.179 -0.012 18087 9968 1 20 . 1 1 70 70 ASP N N 70 122.616 122.616 128.116 -5.500 18087 9969 1 20 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.150 0.064 18087 9970 1 20 . 1 1 70 70 ASP C C 70 175.822 175.822 176.353 -0.531 18087 9971 1 20 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.310 -0.934 18087 9972 1 20 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.636 -1.444 18087 9973 1 20 . 1 1 70 70 ASP H H 70 8.292 8.292 8.434 -0.142 18087 9974 1 20 . 1 1 71 71 PHE N N 71 119.243 119.243 120.055 -0.812 18087 9975 1 20 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.732 -0.981 18087 9976 1 20 . 1 1 71 71 PHE C C 71 176.387 176.387 176.988 -0.601 18087 9977 1 20 . 1 1 71 71 PHE CA C 71 62.965 62.965 62.159 0.806 18087 9978 1 20 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.095 0.046 18087 9979 1 20 . 1 1 71 71 PHE H H 71 8.889 8.889 8.651 0.238 18087 9980 1 20 . 1 1 72 72 GLN N N 72 116.655 116.655 116.984 -0.329 18087 9981 1 20 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.873 -0.165 18087 9982 1 20 . 1 1 72 72 GLN C C 72 177.102 177.102 178.315 -1.213 18087 9983 1 20 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.685 -0.410 18087 9984 1 20 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.412 -0.245 18087 9985 1 20 . 1 1 72 72 GLN H H 72 8.021 8.021 8.818 -0.797 18087 9986 1 20 . 1 1 73 73 GLU N N 73 119.195 119.195 120.021 -0.826 18087 9987 1 20 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.045 0.448 18087 9988 1 20 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.196 -4.017 18087 9989 1 20 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.416 2.398 18087 9990 1 20 . 1 1 73 73 GLU H H 73 8.066 8.066 8.025 0.041 18087 9991 1 20 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.128 -0.042 18087 9992 1 20 . 1 1 74 74 TYR CA C 74 60.497 60.497 60.911 -0.414 18087 9993 1 20 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.603 -0.777 18087 9994 1 20 . 1 1 75 75 VAL N N 75 120.072 120.072 116.169 3.903 18087 9995 1 20 . 1 1 75 75 VAL HA H 75 2.983 2.983 2.985 -0.002 18087 9996 1 20 . 1 1 75 75 VAL C C 75 177.295 177.295 177.301 -0.006 18087 9997 1 20 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.820 -0.128 18087 9998 1 20 . 1 1 75 75 VAL CB C 75 30.618 30.618 31.014 -0.396 18087 9999 1 20 . 1 1 75 75 VAL H H 75 8.291 8.291 8.131 0.160 18087 10000 1 20 . 1 1 76 76 VAL N N 76 121.367 121.367 118.306 3.061 18087 10001 1 20 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.522 -0.002 18087 10002 1 20 . 1 1 76 76 VAL C C 76 178.847 178.847 177.533 1.314 18087 10003 1 20 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.507 1.046 18087 10004 1 20 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.180 0.208 18087 10005 1 20 . 1 1 76 76 VAL H H 76 7.571 7.571 7.234 0.337 18087 10006 1 20 . 1 1 77 77 LEU N N 77 123.054 123.054 121.673 1.381 18087 10007 1 20 . 1 1 77 77 LEU HA H 77 4.129 4.129 4.016 0.113 18087 10008 1 20 . 1 1 77 77 LEU C C 77 179.065 179.065 178.278 0.787 18087 10009 1 20 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.220 0.272 18087 10010 1 20 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.710 -0.414 18087 10011 1 20 . 1 1 77 77 LEU H H 77 7.360 7.360 7.699 -0.339 18087 10012 1 20 . 1 1 78 78 VAL N N 78 119.163 119.163 116.214 2.949 18087 10013 1 20 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.559 -0.286 18087 10014 1 20 . 1 1 78 78 VAL C C 78 180.217 180.217 177.829 2.388 18087 10015 1 20 . 1 1 78 78 VAL CA C 78 67.270 67.270 66.183 1.087 18087 10016 1 20 . 1 1 78 78 VAL CB C 78 31.181 31.181 30.758 0.423 18087 10017 1 20 . 1 1 78 78 VAL H H 78 8.192 8.192 7.787 0.405 18087 10018 1 20 . 1 1 79 79 ALA N N 79 125.884 125.884 124.300 1.584 18087 10019 1 20 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.745 0.052 18087 10020 1 20 . 1 1 79 79 ALA C C 79 178.708 178.708 178.687 0.021 18087 10021 1 20 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.174 0.717 18087 10022 1 20 . 1 1 79 79 ALA CB C 79 17.363 17.363 18.060 -0.697 18087 10023 1 20 . 1 1 79 79 ALA H H 79 9.067 9.067 8.677 0.390 18087 10024 1 20 . 1 1 80 80 ALA N N 80 121.108 121.108 121.542 -0.434 18087 10025 1 20 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.943 0.181 18087 10026 1 20 . 1 1 80 80 ALA C C 80 182.175 182.175 179.665 2.510 18087 10027 1 20 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.147 0.276 18087 10028 1 20 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.121 -0.452 18087 10029 1 20 . 1 1 80 80 ALA H H 80 7.776 7.776 8.677 -0.901 18087 10030 1 20 . 1 1 81 81 LEU N N 81 118.519 118.519 118.046 0.473 18087 10031 1 20 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.856 0.262 18087 10032 1 20 . 1 1 81 81 LEU C C 81 177.959 177.959 179.465 -1.506 18087 10033 1 20 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.954 -0.465 18087 10034 1 20 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.484 0.685 18087 10035 1 20 . 1 1 81 81 LEU H H 81 8.097 8.097 8.037 0.060 18087 10036 1 20 . 1 1 82 82 THR N N 82 119.572 119.572 116.198 3.374 18087 10037 1 20 . 1 1 82 82 THR HA H 82 3.777 3.777 2.966 0.811 18087 10038 1 20 . 1 1 82 82 THR C C 82 176.911 176.911 176.353 0.558 18087 10039 1 20 . 1 1 82 82 THR CA C 82 68.058 68.058 66.600 1.458 18087 10040 1 20 . 1 1 82 82 THR CB C 82 67.402 67.402 68.017 -0.616 18087 10041 1 20 . 1 1 82 82 THR H H 82 8.537 8.537 8.386 0.151 18087 10042 1 20 . 1 1 83 83 VAL N N 83 123.805 123.805 122.049 1.756 18087 10043 1 20 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.685 0.045 18087 10044 1 20 . 1 1 83 83 VAL C C 83 177.787 177.787 177.342 0.445 18087 10045 1 20 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.473 1.921 18087 10046 1 20 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.065 0.626 18087 10047 1 20 . 1 1 83 83 VAL H H 83 8.283 8.283 8.567 -0.284 18087 10048 1 20 . 1 1 84 84 ALA N N 84 121.134 121.134 122.531 -1.397 18087 10049 1 20 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.992 0.244 18087 10050 1 20 . 1 1 84 84 ALA C C 84 180.511 180.511 180.064 0.447 18087 10051 1 20 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.315 -0.140 18087 10052 1 20 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.308 -0.881 18087 10053 1 20 . 1 1 84 84 ALA H H 84 7.466 7.466 8.179 -0.713 18087 10054 1 20 . 1 1 85 85 MET N N 85 121.755 121.755 117.734 4.021 18087 10055 1 20 . 1 1 85 85 MET HA H 85 3.796 3.796 4.591 -0.795 18087 10056 1 20 . 1 1 85 85 MET CA C 85 59.656 59.656 58.343 1.313 18087 10057 1 20 . 1 1 85 85 MET CB C 85 33.653 33.653 32.663 0.990 18087 10058 1 20 . 1 1 85 85 MET H H 85 8.549 8.549 8.571 -0.022 18087 10059 1 20 . 1 1 86 86 ASN N N 86 119.410 119.410 118.893 0.517 18087 10060 1 20 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.669 -0.517 18087 10061 1 20 . 1 1 86 86 ASN C C 86 176.834 176.834 177.305 -0.471 18087 10062 1 20 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.611 1.451 18087 10063 1 20 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.249 1.681 18087 10064 1 20 . 1 1 86 86 ASN H H 86 8.615 8.615 8.985 -0.370 18087 10065 1 20 . 1 1 87 87 ASN N N 87 117.077 117.077 119.880 -2.803 18087 10066 1 20 . 1 1 87 87 ASN HA H 87 4.446 4.446 4.631 -0.185 18087 10067 1 20 . 1 1 87 87 ASN C C 87 176.906 176.906 177.086 -0.180 18087 10068 1 20 . 1 1 87 87 ASN CA C 87 55.602 55.602 56.267 -0.665 18087 10069 1 20 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.271 -0.695 18087 10070 1 20 . 1 1 87 87 ASN H H 87 8.286 8.286 8.507 -0.221 18087 10071 1 20 . 1 1 88 88 PHE N N 88 119.698 119.698 118.350 1.348 18087 10072 1 20 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.279 0.200 18087 10073 1 20 . 1 1 88 88 PHE C C 88 177.057 177.057 178.061 -1.004 18087 10074 1 20 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.694 -2.148 18087 10075 1 20 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.499 1.112 18087 10076 1 20 . 1 1 88 88 PHE H H 88 7.909 7.909 7.993 -0.084 18087 10077 1 20 . 1 1 89 89 PHE N N 89 116.219 116.219 118.200 -1.981 18087 10078 1 20 . 1 1 89 89 PHE HA H 89 4.210 4.210 3.975 0.235 18087 10079 1 20 . 1 1 89 89 PHE C C 89 177.637 177.637 176.249 1.388 18087 10080 1 20 . 1 1 89 89 PHE CA C 89 58.752 58.752 61.764 -3.013 18087 10081 1 20 . 1 1 89 89 PHE CB C 89 39.781 39.781 38.104 1.677 18087 10082 1 20 . 1 1 89 89 PHE H H 89 8.049 8.049 7.618 0.431 18087 10083 1 20 . 1 1 90 90 TRP N N 90 117.712 117.712 117.214 0.498 18087 10084 1 20 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.482 0.046 18087 10085 1 20 . 1 1 90 90 TRP C C 90 176.741 176.741 178.385 -1.644 18087 10086 1 20 . 1 1 90 90 TRP CA C 90 58.109 58.109 58.520 -0.411 18087 10087 1 20 . 1 1 90 90 TRP CB C 90 29.720 29.720 29.525 0.195 18087 10088 1 20 . 1 1 90 90 TRP H H 90 8.257 8.257 7.304 0.953 18087 10089 1 20 . 1 1 91 91 GLU N N 91 120.493 120.493 118.190 2.303 18087 10090 1 20 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.132 0.296 18087 10091 1 20 . 1 1 91 91 GLU C C 91 176.393 176.393 176.939 -0.546 18087 10092 1 20 . 1 1 91 91 GLU CA C 91 57.193 57.193 57.899 -0.706 18087 10093 1 20 . 1 1 91 91 GLU CB C 91 29.850 29.850 29.796 0.054 18087 10094 1 20 . 1 1 91 91 GLU H H 91 7.988 7.988 8.307 -0.319 18087 10095 1 20 . 1 1 92 92 ASN N N 92 119.006 119.006 119.274 -0.268 18087 10096 1 20 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.558 0.229 18087 10097 1 20 . 1 1 92 92 ASN C C 92 174.284 174.284 173.961 0.323 18087 10098 1 20 . 1 1 92 92 ASN CA C 92 53.198 53.198 54.620 -1.421 18087 10099 1 20 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.207 1.026 18087 10100 1 20 . 1 1 92 92 ASN H H 92 8.203 8.203 8.447 -0.244 18087 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 85 2.486 0.384 2.470 18087 2 1 1 "Average Difference" HA 96 0.292 -0.007 0.294 18087 3 1 1 "Average Difference" C 72 1.026 -0.002 1.034 18087 4 1 1 "Average Difference" CA 91 1.271 0.194 1.263 18087 5 1 1 "Average Difference" CB 86 0.909 -0.258 0.877 18087 6 1 1 "Average Difference" HN 85 0.633 0.147 0.620 18087 7 1 2 "Average Difference" N 85 2.384 0.397 2.365 18087 8 1 2 "Average Difference" HA 96 0.254 0.014 0.255 18087 9 1 2 "Average Difference" C 72 1.048 -0.007 1.055 18087 10 1 2 "Average Difference" CA 91 1.271 0.033 1.278 18087 11 1 2 "Average Difference" CB 86 0.964 -0.170 0.954 18087 12 1 2 "Average Difference" HN 85 0.609 0.100 0.605 18087 13 1 3 "Average Difference" N 85 2.771 0.293 2.772 18087 14 1 3 "Average Difference" HA 96 0.277 0.014 0.278 18087 15 1 3 "Average Difference" C 72 1.123 0.049 1.130 18087 16 1 3 "Average Difference" CA 91 1.254 0.132 1.254 18087 17 1 3 "Average Difference" CB 86 0.926 -0.261 0.894 18087 18 1 3 "Average Difference" HN 85 0.671 0.138 0.660 18087 19 1 4 "Average Difference" N 85 2.541 0.472 2.511 18087 20 1 4 "Average Difference" HA 96 0.241 -0.001 0.243 18087 21 1 4 "Average Difference" C 72 1.166 0.091 1.170 18087 22 1 4 "Average Difference" CA 91 1.366 0.241 1.352 18087 23 1 4 "Average Difference" CB 86 0.920 -0.204 0.903 18087 24 1 4 "Average Difference" HN 85 0.697 0.249 0.654 18087 25 1 5 "Average Difference" N 85 2.615 0.299 2.613 18087 26 1 5 "Average Difference" HA 96 0.264 -0.002 0.265 18087 27 1 5 "Average Difference" C 72 1.176 0.070 1.182 18087 28 1 5 "Average Difference" CA 91 1.222 0.160 1.218 18087 29 1 5 "Average Difference" CB 86 0.914 -0.223 0.892 18087 30 1 5 "Average Difference" HN 85 0.631 0.188 0.606 18087 31 1 6 "Average Difference" N 85 2.394 0.587 2.335 18087 32 1 6 "Average Difference" HA 96 0.254 0.005 0.256 18087 33 1 6 "Average Difference" C 72 1.132 0.034 1.139 18087 34 1 6 "Average Difference" CA 91 1.291 0.120 1.293 18087 35 1 6 "Average Difference" CB 86 0.977 -0.236 0.953 18087 36 1 6 "Average Difference" HN 85 0.603 0.174 0.581 18087 37 1 7 "Average Difference" N 85 2.675 0.463 2.650 18087 38 1 7 "Average Difference" HA 96 0.273 -0.006 0.275 18087 39 1 7 "Average Difference" C 72 1.184 0.057 1.190 18087 40 1 7 "Average Difference" CA 91 1.320 0.238 1.306 18087 41 1 7 "Average Difference" CB 86 0.931 -0.252 0.901 18087 42 1 7 "Average Difference" HN 85 0.663 0.185 0.640 18087 43 1 8 "Average Difference" N 85 2.397 0.489 2.360 18087 44 1 8 "Average Difference" HA 96 0.285 -0.020 0.286 18087 45 1 8 "Average Difference" C 72 1.106 0.035 1.113 18087 46 1 8 "Average Difference" CA 91 1.256 0.180 1.250 18087 47 1 8 "Average Difference" CB 86 0.955 -0.260 0.924 18087 48 1 8 "Average Difference" HN 85 0.630 0.153 0.615 18087 49 1 9 "Average Difference" N 85 2.522 0.307 2.518 18087 50 1 9 "Average Difference" HA 96 0.285 -0.028 0.285 18087 51 1 9 "Average Difference" C 72 1.105 0.017 1.112 18087 52 1 9 "Average Difference" CA 91 1.237 0.143 1.236 18087 53 1 9 "Average Difference" CB 86 0.928 -0.273 0.892 18087 54 1 9 "Average Difference" HN 85 0.611 0.151 0.596 18087 55 1 10 "Average Difference" N 85 2.641 0.406 2.626 18087 56 1 10 "Average Difference" HA 96 0.313 -0.044 0.311 18087 57 1 10 "Average Difference" C 72 1.063 -0.003 1.071 18087 58 1 10 "Average Difference" CA 91 1.248 0.142 1.247 18087 59 1 10 "Average Difference" CB 86 0.932 -0.315 0.883 18087 60 1 10 "Average Difference" HN 85 0.576 0.125 0.565 18087 61 1 11 "Average Difference" N 85 2.477 0.353 2.466 18087 62 1 11 "Average Difference" HA 96 0.269 0.022 0.270 18087 63 1 11 "Average Difference" C 72 1.097 0.036 1.104 18087 64 1 11 "Average Difference" CA 91 1.305 0.182 1.300 18087 65 1 11 "Average Difference" CB 86 0.951 -0.196 0.936 18087 66 1 11 "Average Difference" HN 85 0.673 0.232 0.636 18087 67 1 12 "Average Difference" N 85 2.496 0.683 2.415 18087 68 1 12 "Average Difference" HA 96 0.268 0.020 0.269 18087 69 1 12 "Average Difference" C 72 1.027 0.008 1.034 18087 70 1 12 "Average Difference" CA 91 1.229 0.155 1.226 18087 71 1 12 "Average Difference" CB 86 0.962 -0.219 0.942 18087 72 1 12 "Average Difference" HN 85 0.669 0.184 0.647 18087 73 1 13 "Average Difference" N 85 2.417 0.477 2.383 18087 74 1 13 "Average Difference" HA 96 0.241 0.007 0.242 18087 75 1 13 "Average Difference" C 72 1.086 0.006 1.093 18087 76 1 13 "Average Difference" CA 91 1.201 0.120 1.202 18087 77 1 13 "Average Difference" CB 86 0.941 -0.237 0.916 18087 78 1 13 "Average Difference" HN 85 0.635 0.203 0.605 18087 79 1 14 "Average Difference" N 85 2.412 0.441 2.386 18087 80 1 14 "Average Difference" HA 96 0.265 0.007 0.267 18087 81 1 14 "Average Difference" C 72 1.096 0.012 1.104 18087 82 1 14 "Average Difference" CA 91 1.252 0.108 1.255 18087 83 1 14 "Average Difference" CB 86 0.939 -0.269 0.904 18087 84 1 14 "Average Difference" HN 85 0.598 0.145 0.584 18087 85 1 15 "Average Difference" N 85 2.292 0.276 2.289 18087 86 1 15 "Average Difference" HA 96 0.322 -0.005 0.324 18087 87 1 15 "Average Difference" C 72 1.060 -0.062 1.066 18087 88 1 15 "Average Difference" CA 91 1.236 0.090 1.240 18087 89 1 15 "Average Difference" CB 86 0.863 -0.179 0.849 18087 90 1 15 "Average Difference" HN 85 0.604 0.041 0.607 18087 91 1 16 "Average Difference" N 85 2.525 0.351 2.515 18087 92 1 16 "Average Difference" HA 96 0.279 0.022 0.280 18087 93 1 16 "Average Difference" C 72 1.107 -0.013 1.114 18087 94 1 16 "Average Difference" CA 91 1.196 0.090 1.200 18087 95 1 16 "Average Difference" CB 86 0.931 -0.234 0.907 18087 96 1 16 "Average Difference" HN 85 0.648 0.178 0.627 18087 97 1 17 "Average Difference" N 85 2.715 0.324 2.712 18087 98 1 17 "Average Difference" HA 96 0.288 -0.039 0.287 18087 99 1 17 "Average Difference" C 72 1.092 0.054 1.098 18087 100 1 17 "Average Difference" CA 91 1.290 0.117 1.292 18087 101 1 17 "Average Difference" CB 86 0.922 -0.295 0.879 18087 102 1 17 "Average Difference" HN 85 0.617 0.097 0.613 18087 103 1 18 "Average Difference" N 85 2.461 0.581 2.406 18087 104 1 18 "Average Difference" HA 96 0.293 -0.004 0.294 18087 105 1 18 "Average Difference" C 72 1.133 0.091 1.137 18087 106 1 18 "Average Difference" CA 91 1.245 0.136 1.244 18087 107 1 18 "Average Difference" CB 86 1.007 -0.283 0.972 18087 108 1 18 "Average Difference" HN 85 0.645 0.156 0.629 18087 109 1 19 "Average Difference" N 85 2.507 0.422 2.486 18087 110 1 19 "Average Difference" HA 96 0.362 -0.011 0.364 18087 111 1 19 "Average Difference" C 72 1.155 0.047 1.162 18087 112 1 19 "Average Difference" CA 91 1.247 0.098 1.251 18087 113 1 19 "Average Difference" CB 86 0.916 -0.200 0.899 18087 114 1 19 "Average Difference" HN 85 0.634 0.099 0.630 18087 115 1 20 "Average Difference" N 85 2.330 0.386 2.311 18087 116 1 20 "Average Difference" HA 96 0.282 0.022 0.282 18087 117 1 20 "Average Difference" C 72 1.073 -0.005 1.080 18087 118 1 20 "Average Difference" CA 91 1.249 0.152 1.246 18087 119 1 20 "Average Difference" CB 86 0.928 -0.172 0.917 18087 120 1 20 "Average Difference" HN 85 0.593 0.142 0.579 18087 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 18087 _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 2 2 SER N N 2 117.254 117.254 116.709 0.545 18087 2 1 . 1 1 2 2 SER HA H 2 4.737 4.737 4.498 0.239 18087 3 1 . 1 1 2 2 SER C C 2 175.320 175.320 175.585 -0.265 18087 4 1 . 1 1 2 2 SER CA C 2 57.476 57.476 57.736 -0.260 18087 5 1 . 1 1 2 2 SER CB C 2 64.594 64.594 64.238 0.356 18087 6 1 . 1 1 2 2 SER H H 2 8.686 8.686 8.595 0.091 18087 7 1 . 1 1 3 3 GLU N N 3 124.640 124.640 121.915 2.725 18087 8 1 . 1 1 3 3 GLU HA H 3 4.108 4.108 4.031 0.077 18087 9 1 . 1 1 3 3 GLU C C 3 178.972 178.972 178.529 0.443 18087 10 1 . 1 1 3 3 GLU CA C 3 60.375 60.375 60.063 0.312 18087 11 1 . 1 1 3 3 GLU CB C 3 29.744 29.744 29.161 0.583 18087 12 1 . 1 1 3 3 GLU H H 3 9.242 9.242 8.854 0.388 18087 13 1 . 1 1 4 4 LEU N N 4 119.682 119.682 119.821 -0.139 18087 14 1 . 1 1 4 4 LEU HA H 4 3.952 3.952 4.083 -0.131 18087 15 1 . 1 1 4 4 LEU C C 4 178.027 178.027 179.043 -1.016 18087 16 1 . 1 1 4 4 LEU CA C 4 58.179 58.179 58.271 -0.092 18087 17 1 . 1 1 4 4 LEU CB C 4 42.308 42.308 40.890 1.418 18087 18 1 . 1 1 4 4 LEU H H 4 8.952 8.952 8.293 0.659 18087 19 1 . 1 1 5 5 GLU N N 5 118.542 118.542 118.892 -0.350 18087 20 1 . 1 1 5 5 GLU HA H 5 3.792 3.792 4.022 -0.230 18087 21 1 . 1 1 5 5 GLU C C 5 178.389 178.389 179.075 -0.686 18087 22 1 . 1 1 5 5 GLU CA C 5 60.051 60.051 59.975 0.076 18087 23 1 . 1 1 5 5 GLU CB C 5 29.983 29.983 29.377 0.606 18087 24 1 . 1 1 5 5 GLU H H 5 7.968 7.968 8.477 -0.509 18087 25 1 . 1 1 6 6 THR N N 6 114.278 114.278 117.181 -2.903 18087 26 1 . 1 1 6 6 THR HA H 6 4.015 4.015 4.058 -0.043 18087 27 1 . 1 1 6 6 THR C C 6 176.990 176.990 176.934 0.056 18087 28 1 . 1 1 6 6 THR CA C 6 66.450 66.450 66.783 -0.333 18087 29 1 . 1 1 6 6 THR CB C 6 68.637 68.637 68.516 0.121 18087 30 1 . 1 1 6 6 THR H H 6 8.177 8.177 8.296 -0.119 18087 31 1 . 1 1 7 7 ALA N N 7 126.659 126.659 126.258 0.401 18087 32 1 . 1 1 7 7 ALA HA H 7 4.163 4.163 4.097 0.066 18087 33 1 . 1 1 7 7 ALA C C 7 179.338 179.338 179.583 -0.245 18087 34 1 . 1 1 7 7 ALA CA C 7 55.815 55.815 55.249 0.566 18087 35 1 . 1 1 7 7 ALA CB C 7 18.184 18.184 18.266 -0.082 18087 36 1 . 1 1 7 7 ALA H H 7 8.166 8.166 8.985 -0.819 18087 37 1 . 1 1 8 8 MET N N 8 117.727 117.727 117.324 0.403 18087 38 1 . 1 1 8 8 MET HA H 8 3.731 3.731 4.290 -0.559 18087 39 1 . 1 1 8 8 MET C C 8 178.071 178.071 179.036 -0.965 18087 40 1 . 1 1 8 8 MET CA C 8 60.447 60.447 57.374 3.073 18087 41 1 . 1 1 8 8 MET CB C 8 34.928 34.928 31.455 3.473 18087 42 1 . 1 1 8 8 MET H H 8 8.090 8.090 8.579 -0.489 18087 43 1 . 1 1 9 9 GLU N N 9 117.303 117.303 120.304 -3.001 18087 44 1 . 1 1 9 9 GLU HA H 9 3.907 3.907 3.976 -0.069 18087 45 1 . 1 1 9 9 GLU C C 9 179.261 179.261 179.133 0.128 18087 46 1 . 1 1 9 9 GLU CA C 9 60.030 60.030 59.721 0.309 18087 47 1 . 1 1 9 9 GLU CB C 9 29.499 29.499 29.405 0.094 18087 48 1 . 1 1 9 9 GLU H H 9 8.603 8.603 8.886 -0.283 18087 49 1 . 1 1 10 10 THR N N 10 117.583 117.583 117.919 -0.336 18087 50 1 . 1 1 10 10 THR HA H 10 4.088 4.088 4.068 0.020 18087 51 1 . 1 1 10 10 THR C C 10 175.758 175.758 176.850 -1.092 18087 52 1 . 1 1 10 10 THR CA C 10 67.439 67.439 67.211 0.228 18087 53 1 . 1 1 10 10 THR CB C 10 68.014 68.014 68.543 -0.529 18087 54 1 . 1 1 10 10 THR H H 10 8.483 8.483 8.691 -0.208 18087 55 1 . 1 1 11 11 LEU N N 11 119.623 119.623 122.211 -2.588 18087 56 1 . 1 1 11 11 LEU HA H 11 3.970 3.970 4.338 -0.368 18087 57 1 . 1 1 11 11 LEU C C 11 178.935 178.935 179.459 -0.524 18087 58 1 . 1 1 11 11 LEU CA C 11 59.175 59.175 58.416 0.759 18087 59 1 . 1 1 11 11 LEU CB C 11 41.861 41.861 41.778 0.083 18087 60 1 . 1 1 11 11 LEU H H 11 8.013 8.013 8.209 -0.196 18087 61 1 . 1 1 12 12 ILE N N 12 119.751 119.751 120.396 -0.645 18087 62 1 . 1 1 12 12 ILE HA H 12 3.993 3.993 3.523 0.470 18087 63 1 . 1 1 12 12 ILE C C 12 177.717 177.717 178.210 -0.493 18087 64 1 . 1 1 12 12 ILE CA C 12 65.748 65.748 64.261 1.487 18087 65 1 . 1 1 12 12 ILE CB C 12 39.266 39.266 36.318 2.948 18087 66 1 . 1 1 12 12 ILE H H 12 7.708 7.708 8.703 -0.995 18087 67 1 . 1 1 13 13 ASN N N 13 121.260 121.260 119.386 1.874 18087 68 1 . 1 1 13 13 ASN HA H 13 4.567 4.567 4.542 0.025 18087 69 1 . 1 1 13 13 ASN C C 13 178.941 178.941 178.262 0.679 18087 70 1 . 1 1 13 13 ASN CA C 13 56.339 56.339 57.062 -0.723 18087 71 1 . 1 1 13 13 ASN CB C 13 38.094 38.094 38.451 -0.357 18087 72 1 . 1 1 13 13 ASN H H 13 9.125 9.125 8.831 0.294 18087 73 1 . 1 1 14 14 VAL N N 14 120.868 120.868 120.491 0.377 18087 74 1 . 1 1 14 14 VAL HA H 14 3.867 3.867 3.760 0.107 18087 75 1 . 1 1 14 14 VAL C C 14 177.827 177.827 177.831 -0.004 18087 76 1 . 1 1 14 14 VAL CA C 14 66.715 66.715 66.982 -0.267 18087 77 1 . 1 1 14 14 VAL CB C 14 31.902 31.902 31.745 0.157 18087 78 1 . 1 1 14 14 VAL H H 14 8.965 8.965 8.145 0.820 18087 79 1 . 1 1 15 15 PHE N N 15 117.672 117.672 121.399 -3.727 18087 80 1 . 1 1 15 15 PHE HA H 15 3.446 3.446 3.877 -0.431 18087 81 1 . 1 1 15 15 PHE C C 15 177.713 177.713 177.519 0.194 18087 82 1 . 1 1 15 15 PHE CA C 15 62.441 62.441 62.143 0.298 18087 83 1 . 1 1 15 15 PHE CB C 15 39.181 39.181 39.198 -0.017 18087 84 1 . 1 1 15 15 PHE H H 15 6.968 6.968 8.875 -1.907 18087 85 1 . 1 1 16 16 HIS N N 16 115.122 115.122 119.569 -4.447 18087 86 1 . 1 1 16 16 HIS HA H 16 4.369 4.369 4.288 0.081 18087 87 1 . 1 1 16 16 HIS C C 16 176.987 176.987 177.616 -0.629 18087 88 1 . 1 1 16 16 HIS CA C 16 58.413 58.413 59.496 -1.083 18087 89 1 . 1 1 16 16 HIS CB C 16 28.260 28.260 29.684 -1.424 18087 90 1 . 1 1 16 16 HIS H H 16 8.020 8.020 9.274 -1.254 18087 91 1 . 1 1 17 17 ALA N N 17 122.533 122.533 121.885 0.648 18087 92 1 . 1 1 17 17 ALA HA H 17 4.117 4.117 3.905 0.212 18087 93 1 . 1 1 17 17 ALA CA C 17 54.064 54.064 55.065 -1.001 18087 94 1 . 1 1 17 17 ALA CB C 17 17.908 17.908 18.002 -0.094 18087 95 1 . 1 1 17 17 ALA H H 17 8.282 8.282 8.530 -0.248 18087 96 1 . 1 1 18 18 HIS N N 18 113.127 113.127 116.448 -3.321 18087 97 1 . 1 1 18 18 HIS HA H 18 4.408 4.408 4.305 0.103 18087 98 1 . 1 1 18 18 HIS CA C 18 57.248 57.248 59.146 -1.898 18087 99 1 . 1 1 18 18 HIS CB C 18 31.262 31.262 29.648 1.614 18087 100 1 . 1 1 18 18 HIS H H 18 7.124 7.124 8.259 -1.135 18087 101 1 . 1 1 19 19 SER HA H 19 3.963 3.963 4.222 -0.259 18087 102 1 . 1 1 19 19 SER CA C 19 59.969 59.969 62.166 -2.197 18087 103 1 . 1 1 19 19 SER CB C 19 62.416 62.416 62.568 -0.152 18087 104 1 . 1 1 20 20 GLY N N 20 107.243 107.243 108.750 -1.507 18087 105 1 . 1 1 20 20 GLY CA C 20 46.114 46.114 46.705 -0.591 18087 106 1 . 1 1 20 20 GLY H H 20 7.915 7.915 8.247 -0.332 18087 107 1 . 1 1 21 21 LYS HA H 21 3.957 3.957 4.092 -0.135 18087 108 1 . 1 1 21 21 LYS CA C 21 58.045 58.045 58.323 -0.278 18087 109 1 . 1 1 21 21 LYS CB C 21 31.937 31.937 32.221 -0.284 18087 110 1 . 1 1 22 22 GLU HA H 22 4.042 4.042 4.271 -0.229 18087 111 1 . 1 1 22 22 GLU CA C 22 58.755 58.755 57.211 1.544 18087 112 1 . 1 1 22 22 GLU CB C 22 30.184 30.184 30.814 -0.630 18087 113 1 . 1 1 23 23 GLY N N 23 111.113 111.113 107.916 3.197 18087 114 1 . 1 1 23 23 GLY CA C 23 46.790 46.790 44.751 2.039 18087 115 1 . 1 1 23 23 GLY H H 23 8.435 8.435 8.032 0.403 18087 116 1 . 1 1 24 24 ASP N N 24 123.994 123.994 120.901 3.093 18087 117 1 . 1 1 24 24 ASP HA H 24 4.496 4.496 4.503 -0.007 18087 118 1 . 1 1 24 24 ASP CA C 24 54.286 54.286 54.295 -0.009 18087 119 1 . 1 1 24 24 ASP CB C 24 42.002 42.002 42.048 -0.046 18087 120 1 . 1 1 24 24 ASP H H 24 8.501 8.501 8.282 0.219 18087 121 1 . 1 1 25 25 LYS HA H 25 4.442 4.442 4.076 0.366 18087 122 1 . 1 1 25 25 LYS CA C 25 56.523 56.523 57.612 -1.089 18087 123 1 . 1 1 25 25 LYS CB C 25 33.271 33.271 32.591 0.680 18087 124 1 . 1 1 26 26 TYR N N 26 119.967 119.967 115.569 4.398 18087 125 1 . 1 1 26 26 TYR HA H 26 4.792 4.792 4.771 0.022 18087 126 1 . 1 1 26 26 TYR CA C 26 57.019 57.019 56.542 0.477 18087 127 1 . 1 1 26 26 TYR CB C 26 38.431 38.431 38.783 -0.352 18087 128 1 . 1 1 26 26 TYR H H 26 8.712 8.712 7.874 0.838 18087 129 1 . 1 1 27 27 LYS HA H 27 5.299 5.299 4.956 0.343 18087 130 1 . 1 1 27 27 LYS C C 27 174.308 174.308 173.723 0.585 18087 131 1 . 1 1 27 27 LYS CA C 27 54.365 54.365 54.986 -0.621 18087 132 1 . 1 1 27 27 LYS CB C 27 37.394 37.394 37.532 -0.138 18087 133 1 . 1 1 28 28 LEU N N 28 121.194 121.194 122.855 -1.661 18087 134 1 . 1 1 28 28 LEU HA H 28 4.720 4.720 4.652 0.068 18087 135 1 . 1 1 28 28 LEU C C 28 178.895 178.895 174.578 4.317 18087 136 1 . 1 1 28 28 LEU CA C 28 52.968 52.968 53.175 -0.207 18087 137 1 . 1 1 28 28 LEU CB C 28 46.211 46.211 45.443 0.768 18087 138 1 . 1 1 28 28 LEU H H 28 8.632 8.632 8.933 -0.301 18087 139 1 . 1 1 29 29 SER N N 29 119.705 119.705 121.577 -1.872 18087 140 1 . 1 1 29 29 SER HA H 29 4.987 4.987 4.775 0.212 18087 141 1 . 1 1 29 29 SER C C 29 175.742 175.742 175.236 0.506 18087 142 1 . 1 1 29 29 SER CA C 29 57.873 57.873 57.575 0.298 18087 143 1 . 1 1 29 29 SER CB C 29 64.531 64.531 64.765 -0.234 18087 144 1 . 1 1 29 29 SER H H 29 8.901 8.901 9.206 -0.305 18087 145 1 . 1 1 30 30 LYS N N 30 124.208 124.208 122.215 1.992 18087 146 1 . 1 1 30 30 LYS HA H 30 3.814 3.814 4.153 -0.339 18087 147 1 . 1 1 30 30 LYS C C 30 178.469 178.469 178.415 0.054 18087 148 1 . 1 1 30 30 LYS CA C 30 61.433 61.433 57.799 3.634 18087 149 1 . 1 1 30 30 LYS CB C 30 32.269 32.269 31.532 0.737 18087 150 1 . 1 1 30 30 LYS H H 30 8.836 8.836 8.835 0.001 18087 151 1 . 1 1 31 31 LYS N N 31 119.570 119.570 120.328 -0.758 18087 152 1 . 1 1 31 31 LYS HA H 31 4.046 4.046 4.087 -0.041 18087 153 1 . 1 1 31 31 LYS C C 31 179.409 179.409 178.452 0.957 18087 154 1 . 1 1 31 31 LYS CA C 31 59.223 59.223 59.768 -0.545 18087 155 1 . 1 1 31 31 LYS CB C 31 32.386 32.386 31.985 0.401 18087 156 1 . 1 1 31 31 LYS H H 31 8.597 8.597 8.060 0.537 18087 157 1 . 1 1 32 32 GLU N N 32 119.551 119.551 119.143 0.408 18087 158 1 . 1 1 32 32 GLU HA H 32 4.046 4.046 4.191 -0.145 18087 159 1 . 1 1 32 32 GLU CA C 32 58.998 58.998 58.258 0.740 18087 160 1 . 1 1 32 32 GLU CB C 32 28.470 28.470 29.625 -1.155 18087 161 1 . 1 1 32 32 GLU H H 32 7.442 7.442 7.897 -0.455 18087 162 1 . 1 1 33 33 LEU N N 33 121.725 121.725 121.170 0.555 18087 163 1 . 1 1 33 33 LEU HA H 33 4.068 4.068 3.947 0.121 18087 164 1 . 1 1 33 33 LEU C C 33 177.279 177.279 178.337 -1.058 18087 165 1 . 1 1 33 33 LEU CA C 33 57.396 57.396 58.473 -1.077 18087 166 1 . 1 1 33 33 LEU CB C 33 40.585 40.585 41.564 -0.979 18087 167 1 . 1 1 33 33 LEU H H 33 8.579 8.579 8.214 0.365 18087 168 1 . 1 1 34 34 LYS N N 34 120.543 120.543 118.152 2.391 18087 169 1 . 1 1 34 34 LYS HA H 34 3.636 3.636 3.978 -0.341 18087 170 1 . 1 1 34 34 LYS C C 34 177.868 177.868 178.995 -1.127 18087 171 1 . 1 1 34 34 LYS CA C 34 60.704 60.704 59.866 0.838 18087 172 1 . 1 1 34 34 LYS CB C 34 31.870 31.870 32.068 -0.198 18087 173 1 . 1 1 34 34 LYS H H 34 8.618 8.618 7.655 0.963 18087 174 1 . 1 1 35 35 GLU N N 35 117.340 117.340 119.788 -2.448 18087 175 1 . 1 1 35 35 GLU HA H 35 4.007 4.007 4.126 -0.119 18087 176 1 . 1 1 35 35 GLU C C 35 179.008 179.008 179.271 -0.263 18087 177 1 . 1 1 35 35 GLU CA C 35 59.366 59.366 58.999 0.367 18087 178 1 . 1 1 35 35 GLU CB C 35 29.195 29.195 29.550 -0.355 18087 179 1 . 1 1 35 35 GLU H H 35 7.713 7.713 7.749 -0.036 18087 180 1 . 1 1 36 36 LEU N N 36 122.745 122.745 122.349 0.396 18087 181 1 . 1 1 36 36 LEU HA H 36 4.013 4.013 4.093 -0.080 18087 182 1 . 1 1 36 36 LEU C C 36 178.646 178.646 178.403 0.243 18087 183 1 . 1 1 36 36 LEU CA C 36 58.376 58.376 58.253 0.123 18087 184 1 . 1 1 36 36 LEU CB C 36 41.888 41.888 41.190 0.698 18087 185 1 . 1 1 36 36 LEU H H 36 8.150 8.150 8.742 -0.592 18087 186 1 . 1 1 37 37 LEU N N 37 118.881 118.881 120.138 -1.257 18087 187 1 . 1 1 37 37 LEU HA H 37 3.748 3.748 4.043 -0.295 18087 188 1 . 1 1 37 37 LEU CA C 37 58.361 58.361 58.568 -0.207 18087 189 1 . 1 1 37 37 LEU CB C 37 41.413 41.413 41.230 0.183 18087 190 1 . 1 1 37 37 LEU H H 37 8.495 8.495 8.547 -0.052 18087 191 1 . 1 1 38 38 GLN N N 38 115.311 115.311 117.170 -1.859 18087 192 1 . 1 1 38 38 GLN HA H 38 3.789 3.789 4.053 -0.264 18087 193 1 . 1 1 38 38 GLN C C 38 177.826 177.826 178.159 -0.333 18087 194 1 . 1 1 38 38 GLN CA C 38 58.860 58.860 58.727 0.133 18087 195 1 . 1 1 38 38 GLN CB C 38 28.321 28.321 28.126 0.195 18087 196 1 . 1 1 38 38 GLN H H 38 8.348 8.348 8.029 0.319 18087 197 1 . 1 1 39 39 THR N N 39 112.151 112.151 116.759 -4.608 18087 198 1 . 1 1 39 39 THR HA H 39 4.186 4.186 4.062 0.124 18087 199 1 . 1 1 39 39 THR C C 39 177.166 177.166 177.318 -0.152 18087 200 1 . 1 1 39 39 THR CA C 39 65.284 65.284 66.659 -1.375 18087 201 1 . 1 1 39 39 THR CB C 39 69.179 69.179 68.647 0.532 18087 202 1 . 1 1 39 39 THR H H 39 7.872 7.872 8.269 -0.397 18087 203 1 . 1 1 40 40 GLU N N 40 119.602 119.602 121.013 -1.411 18087 204 1 . 1 1 40 40 GLU HA H 40 4.366 4.366 4.307 0.059 18087 205 1 . 1 1 40 40 GLU C C 40 178.228 178.228 178.404 -0.176 18087 206 1 . 1 1 40 40 GLU CA C 40 58.623 58.623 58.415 0.208 18087 207 1 . 1 1 40 40 GLU CB C 40 30.934 30.934 29.915 1.019 18087 208 1 . 1 1 40 40 GLU H H 40 8.713 8.713 8.709 0.004 18087 209 1 . 1 1 41 41 LEU N N 41 118.018 118.018 121.037 -3.019 18087 210 1 . 1 1 41 41 LEU HA H 41 5.132 5.132 4.729 0.403 18087 211 1 . 1 1 41 41 LEU C C 41 176.993 176.993 176.936 0.057 18087 212 1 . 1 1 41 41 LEU CA C 41 52.819 52.819 53.674 -0.855 18087 213 1 . 1 1 41 41 LEU CB C 41 41.962 41.962 40.925 1.037 18087 214 1 . 1 1 41 41 LEU H H 41 8.243 8.243 8.180 0.063 18087 215 1 . 1 1 42 42 SER N N 42 114.483 114.483 117.347 -2.864 18087 216 1 . 1 1 42 42 SER HA H 42 3.950 3.950 4.275 -0.325 18087 217 1 . 1 1 42 42 SER C C 42 176.651 176.651 176.877 -0.227 18087 218 1 . 1 1 42 42 SER CA C 42 62.225 62.225 62.448 -0.223 18087 219 1 . 1 1 42 42 SER CB C 42 62.675 62.675 62.879 -0.204 18087 220 1 . 1 1 42 42 SER H H 42 7.019 7.019 7.668 -0.649 18087 221 1 . 1 1 43 43 GLY N N 43 109.381 109.381 109.205 0.176 18087 222 1 . 1 1 43 43 GLY C C 43 176.476 176.476 175.838 0.638 18087 223 1 . 1 1 43 43 GLY CA C 43 47.019 47.019 46.832 0.187 18087 224 1 . 1 1 43 43 GLY H H 43 8.666 8.666 8.723 -0.057 18087 225 1 . 1 1 44 44 PHE N N 44 124.390 124.390 121.375 3.015 18087 226 1 . 1 1 44 44 PHE HA H 44 4.327 4.327 4.567 -0.240 18087 227 1 . 1 1 44 44 PHE C C 44 176.516 176.516 177.762 -1.246 18087 228 1 . 1 1 44 44 PHE CA C 44 60.094 60.094 60.320 -0.226 18087 229 1 . 1 1 44 44 PHE CB C 44 39.224 39.224 38.817 0.407 18087 230 1 . 1 1 44 44 PHE H H 44 8.226 8.226 7.698 0.528 18087 231 1 . 1 1 45 45 LEU N N 45 117.156 117.156 120.901 -3.745 18087 232 1 . 1 1 45 45 LEU HA H 45 3.418 3.418 4.009 -0.591 18087 233 1 . 1 1 45 45 LEU C C 45 179.673 179.673 178.165 1.508 18087 234 1 . 1 1 45 45 LEU CA C 45 57.522 57.522 58.038 -0.516 18087 235 1 . 1 1 45 45 LEU CB C 45 40.614 40.614 41.667 -1.053 18087 236 1 . 1 1 45 45 LEU H H 45 8.627 8.627 8.976 -0.349 18087 237 1 . 1 1 46 46 ASP N N 46 117.663 117.663 118.822 -1.159 18087 238 1 . 1 1 46 46 ASP HA H 46 4.345 4.345 4.347 -0.002 18087 239 1 . 1 1 46 46 ASP C C 46 177.844 177.844 178.686 -0.842 18087 240 1 . 1 1 46 46 ASP CA C 46 56.784 56.784 57.253 -0.469 18087 241 1 . 1 1 46 46 ASP CB C 46 41.130 41.130 40.938 0.192 18087 242 1 . 1 1 46 46 ASP H H 46 7.933 7.933 8.479 -0.546 18087 243 1 . 1 1 47 47 ALA N N 47 119.795 119.795 121.353 -1.558 18087 244 1 . 1 1 47 47 ALA HA H 47 4.203 4.203 4.112 0.090 18087 245 1 . 1 1 47 47 ALA C C 47 179.300 179.300 178.992 0.308 18087 246 1 . 1 1 47 47 ALA CA C 47 53.362 53.362 54.532 -1.170 18087 247 1 . 1 1 47 47 ALA CB C 47 19.011 19.011 18.882 0.129 18087 248 1 . 1 1 47 47 ALA H H 47 7.380 7.380 7.835 -0.455 18087 249 1 . 1 1 48 48 GLN N N 48 115.955 115.955 115.444 0.511 18087 250 1 . 1 1 48 48 GLN HA H 48 4.270 4.270 4.420 -0.150 18087 251 1 . 1 1 48 48 GLN C C 48 175.355 175.355 176.958 -1.603 18087 252 1 . 1 1 48 48 GLN CA C 48 54.026 54.026 55.378 -1.352 18087 253 1 . 1 1 48 48 GLN CB C 48 28.560 28.560 27.727 0.833 18087 254 1 . 1 1 48 48 GLN H H 48 7.369 7.369 8.036 -0.667 18087 255 1 . 1 1 49 49 LYS N N 49 119.402 119.402 120.982 -1.580 18087 256 1 . 1 1 49 49 LYS HA H 49 4.016 4.016 4.046 -0.030 18087 257 1 . 1 1 49 49 LYS C C 49 176.255 176.255 177.245 -0.990 18087 258 1 . 1 1 49 49 LYS CA C 49 58.184 58.184 59.486 -1.302 18087 259 1 . 1 1 49 49 LYS CB C 49 32.103 32.103 32.308 -0.205 18087 260 1 . 1 1 49 49 LYS H H 49 7.152 7.152 7.618 -0.466 18087 261 1 . 1 1 50 50 ASP N N 50 117.172 117.172 116.401 0.771 18087 262 1 . 1 1 50 50 ASP HA H 50 4.595 4.595 4.639 -0.044 18087 263 1 . 1 1 50 50 ASP C C 50 175.916 175.916 176.045 -0.129 18087 264 1 . 1 1 50 50 ASP CA C 50 54.217 54.217 54.286 -0.069 18087 265 1 . 1 1 50 50 ASP CB C 50 40.309 40.309 40.800 -0.491 18087 266 1 . 1 1 50 50 ASP H H 50 8.338 8.338 8.238 0.100 18087 267 1 . 1 1 51 51 VAL N N 51 121.648 121.648 120.015 1.633 18087 268 1 . 1 1 51 51 VAL HA H 51 3.997 3.997 4.049 -0.052 18087 269 1 . 1 1 51 51 VAL C C 51 177.128 177.128 176.466 0.662 18087 270 1 . 1 1 51 51 VAL CA C 51 62.404 62.404 62.202 0.202 18087 271 1 . 1 1 51 51 VAL CB C 51 31.921 31.921 32.922 -1.001 18087 272 1 . 1 1 51 51 VAL H H 51 7.604 7.604 7.363 0.241 18087 273 1 . 1 1 52 52 ASP N N 52 129.202 129.202 125.956 3.246 18087 274 1 . 1 1 52 52 ASP HA H 52 4.273 4.273 4.222 0.050 18087 275 1 . 1 1 52 52 ASP CA C 52 58.183 58.183 57.337 0.846 18087 276 1 . 1 1 52 52 ASP CB C 52 40.935 40.935 40.662 0.273 18087 277 1 . 1 1 52 52 ASP H H 52 8.702 8.702 8.793 -0.091 18087 278 1 . 1 1 53 53 ALA N N 53 118.401 118.401 121.996 -3.595 18087 279 1 . 1 1 53 53 ALA HA H 53 4.012 4.012 4.048 -0.036 18087 280 1 . 1 1 53 53 ALA C C 53 179.448 179.448 179.245 0.203 18087 281 1 . 1 1 53 53 ALA CA C 53 55.053 55.053 54.912 0.141 18087 282 1 . 1 1 53 53 ALA CB C 53 19.364 19.364 18.249 1.115 18087 283 1 . 1 1 53 53 ALA H H 53 8.478 8.478 8.327 0.151 18087 284 1 . 1 1 54 54 VAL N N 54 115.050 115.050 118.091 -3.041 18087 285 1 . 1 1 54 54 VAL HA H 54 3.542 3.542 3.628 -0.086 18087 286 1 . 1 1 54 54 VAL C C 54 177.000 177.000 177.088 -0.088 18087 287 1 . 1 1 54 54 VAL CA C 54 65.220 65.220 66.317 -1.097 18087 288 1 . 1 1 54 54 VAL CB C 54 32.059 32.059 31.617 0.442 18087 289 1 . 1 1 54 54 VAL H H 54 6.988 6.988 7.959 -0.971 18087 290 1 . 1 1 55 55 ASP N N 55 120.834 120.834 119.537 1.297 18087 291 1 . 1 1 55 55 ASP HA H 55 4.278 4.278 4.335 -0.057 18087 292 1 . 1 1 55 55 ASP C C 55 178.307 178.307 178.401 -0.094 18087 293 1 . 1 1 55 55 ASP CA C 55 57.623 57.623 57.588 0.035 18087 294 1 . 1 1 55 55 ASP CB C 55 41.777 41.777 40.686 1.091 18087 295 1 . 1 1 55 55 ASP H H 55 8.157 8.157 7.995 0.162 18087 296 1 . 1 1 56 56 LYS N N 56 115.672 115.672 119.724 -4.052 18087 297 1 . 1 1 56 56 LYS HA H 56 3.888 3.888 4.035 -0.147 18087 298 1 . 1 1 56 56 LYS C C 56 179.372 179.372 179.148 0.224 18087 299 1 . 1 1 56 56 LYS CA C 56 59.608 59.608 59.197 0.411 18087 300 1 . 1 1 56 56 LYS CB C 56 32.378 32.378 32.321 0.057 18087 301 1 . 1 1 56 56 LYS H H 56 8.348 8.348 7.663 0.684 18087 302 1 . 1 1 57 57 VAL N N 57 118.238 118.238 120.798 -2.560 18087 303 1 . 1 1 57 57 VAL HA H 57 3.729 3.729 3.654 0.075 18087 304 1 . 1 1 57 57 VAL C C 57 177.541 177.541 178.123 -0.582 18087 305 1 . 1 1 57 57 VAL CA C 57 65.702 65.702 66.493 -0.791 18087 306 1 . 1 1 57 57 VAL CB C 57 31.918 31.918 31.371 0.547 18087 307 1 . 1 1 57 57 VAL H H 57 7.003 7.003 8.625 -1.622 18087 308 1 . 1 1 58 58 MET N N 58 115.998 115.998 118.505 -2.507 18087 309 1 . 1 1 58 58 MET HA H 58 4.313 4.313 4.064 0.249 18087 310 1 . 1 1 58 58 MET C C 58 179.857 179.857 178.291 1.566 18087 311 1 . 1 1 58 58 MET CA C 58 56.717 56.717 58.997 -2.280 18087 312 1 . 1 1 58 58 MET CB C 58 32.366 32.366 31.943 0.423 18087 313 1 . 1 1 58 58 MET H H 58 7.836 7.836 8.495 -0.659 18087 314 1 . 1 1 59 59 LYS N N 59 119.682 119.682 120.546 -0.864 18087 315 1 . 1 1 59 59 LYS HA H 59 4.088 4.088 4.006 0.082 18087 316 1 . 1 1 59 59 LYS CA C 59 59.442 59.442 59.385 0.057 18087 317 1 . 1 1 59 59 LYS CB C 59 32.504 32.504 31.963 0.541 18087 318 1 . 1 1 59 59 LYS H H 59 8.619 8.619 8.493 0.126 18087 319 1 . 1 1 60 60 GLU N N 60 119.917 119.917 119.759 0.157 18087 320 1 . 1 1 60 60 GLU HA H 60 3.936 3.936 4.072 -0.136 18087 321 1 . 1 1 60 60 GLU CA C 60 59.240 59.240 59.390 -0.150 18087 322 1 . 1 1 60 60 GLU CB C 60 30.089 30.089 29.418 0.672 18087 323 1 . 1 1 60 60 GLU H H 60 7.721 7.721 8.321 -0.600 18087 324 1 . 1 1 61 61 LEU N N 61 116.614 116.614 119.673 -3.059 18087 325 1 . 1 1 61 61 LEU HA H 61 4.023 4.023 4.092 -0.069 18087 326 1 . 1 1 61 61 LEU C C 61 175.845 175.845 179.137 -3.292 18087 327 1 . 1 1 61 61 LEU CA C 61 56.515 56.515 57.922 -1.407 18087 328 1 . 1 1 61 61 LEU CB C 61 41.218 41.218 41.054 0.164 18087 329 1 . 1 1 61 61 LEU H H 61 7.429 7.429 7.908 -0.479 18087 330 1 . 1 1 62 62 ASP N N 62 116.147 116.147 119.900 -3.753 18087 331 1 . 1 1 62 62 ASP HA H 62 4.523 4.523 4.407 0.116 18087 332 1 . 1 1 62 62 ASP C C 62 177.790 177.790 178.889 -1.099 18087 333 1 . 1 1 62 62 ASP CA C 62 55.426 55.426 57.287 -1.861 18087 334 1 . 1 1 62 62 ASP CB C 62 41.880 41.880 40.695 1.185 18087 335 1 . 1 1 62 62 ASP H H 62 7.423 7.423 8.513 -1.090 18087 336 1 . 1 1 63 63 GLU N N 63 119.660 119.660 119.168 0.492 18087 337 1 . 1 1 63 63 GLU HA H 63 4.136 4.136 4.028 0.108 18087 338 1 . 1 1 63 63 GLU CA C 63 57.377 57.377 59.008 -1.631 18087 339 1 . 1 1 63 63 GLU CB C 63 29.989 29.989 29.530 0.459 18087 340 1 . 1 1 63 63 GLU H H 63 7.837 7.837 8.425 -0.588 18087 341 1 . 1 1 64 64 ASN N N 64 118.376 118.376 117.383 0.993 18087 342 1 . 1 1 64 64 ASN HA H 64 4.862 4.862 4.690 0.172 18087 343 1 . 1 1 64 64 ASN C C 64 176.216 176.216 176.727 -0.511 18087 344 1 . 1 1 64 64 ASN CA C 64 52.688 52.688 53.509 -0.821 18087 345 1 . 1 1 64 64 ASN CB C 64 38.185 38.185 38.432 -0.246 18087 346 1 . 1 1 64 64 ASN H H 64 8.012 8.012 8.102 -0.090 18087 347 1 . 1 1 65 65 GLY N N 65 107.248 107.248 107.751 -0.503 18087 348 1 . 1 1 65 65 GLY C C 65 173.971 173.971 174.647 -0.676 18087 349 1 . 1 1 65 65 GLY CA C 65 47.136 47.136 45.027 2.109 18087 350 1 . 1 1 65 65 GLY H H 65 7.989 7.989 8.352 -0.363 18087 351 1 . 1 1 66 66 ASP N N 66 116.989 116.989 121.222 -4.233 18087 352 1 . 1 1 66 66 ASP HA H 66 4.788 4.788 4.451 0.337 18087 353 1 . 1 1 66 66 ASP C C 66 177.289 177.289 176.892 0.397 18087 354 1 . 1 1 66 66 ASP CA C 66 54.166 54.166 56.326 -2.160 18087 355 1 . 1 1 66 66 ASP CB C 66 40.987 40.987 41.106 -0.119 18087 356 1 . 1 1 66 66 ASP H H 66 8.233 8.233 8.088 0.145 18087 357 1 . 1 1 67 67 GLY N N 67 108.642 108.642 106.521 2.121 18087 358 1 . 1 1 67 67 GLY C C 67 172.757 172.757 173.072 -0.315 18087 359 1 . 1 1 67 67 GLY CA C 67 45.216 45.216 45.491 -0.275 18087 360 1 . 1 1 67 67 GLY H H 67 8.274 8.274 7.929 0.345 18087 361 1 . 1 1 68 68 GLU N N 68 118.614 118.614 118.929 -0.315 18087 362 1 . 1 1 68 68 GLU HA H 68 4.955 4.955 4.788 0.167 18087 363 1 . 1 1 68 68 GLU C C 68 175.881 175.881 174.835 1.046 18087 364 1 . 1 1 68 68 GLU CA C 68 55.365 55.365 55.491 -0.126 18087 365 1 . 1 1 68 68 GLU CB C 68 33.488 33.488 32.850 0.638 18087 366 1 . 1 1 68 68 GLU H H 68 8.404 8.404 7.945 0.459 18087 367 1 . 1 1 69 69 VAL N N 69 117.572 117.572 121.266 -3.694 18087 368 1 . 1 1 69 69 VAL HA H 69 4.765 4.765 4.864 -0.099 18087 369 1 . 1 1 69 69 VAL C C 69 174.820 174.820 173.926 0.894 18087 370 1 . 1 1 69 69 VAL CA C 69 59.951 59.951 59.716 0.235 18087 371 1 . 1 1 69 69 VAL CB C 69 34.352 34.352 35.064 -0.712 18087 372 1 . 1 1 69 69 VAL H H 69 9.167 9.167 9.176 -0.009 18087 373 1 . 1 1 70 70 ASP N N 70 122.616 122.616 128.007 -5.391 18087 374 1 . 1 1 70 70 ASP HA H 70 5.214 5.214 5.138 0.076 18087 375 1 . 1 1 70 70 ASP C C 70 175.822 175.822 176.369 -0.547 18087 376 1 . 1 1 70 70 ASP CA C 70 51.376 51.376 52.559 -1.183 18087 377 1 . 1 1 70 70 ASP CB C 70 42.192 42.192 43.463 -1.271 18087 378 1 . 1 1 70 70 ASP H H 70 8.292 8.292 8.676 -0.384 18087 379 1 . 1 1 71 71 PHE N N 71 119.243 119.243 119.622 -0.379 18087 380 1 . 1 1 71 71 PHE HA H 71 2.751 2.751 3.548 -0.797 18087 381 1 . 1 1 71 71 PHE C C 71 176.387 176.387 176.992 -0.605 18087 382 1 . 1 1 71 71 PHE CA C 71 62.965 62.965 61.766 1.199 18087 383 1 . 1 1 71 71 PHE CB C 71 39.141 39.141 39.140 0.000 18087 384 1 . 1 1 71 71 PHE H H 71 8.889 8.889 8.595 0.294 18087 385 1 . 1 1 72 72 GLN N N 72 116.655 116.655 117.284 -0.629 18087 386 1 . 1 1 72 72 GLN HA H 72 3.708 3.708 3.761 -0.053 18087 387 1 . 1 1 72 72 GLN C C 72 177.102 177.102 178.336 -1.234 18087 388 1 . 1 1 72 72 GLN CA C 72 59.275 59.275 59.341 -0.066 18087 389 1 . 1 1 72 72 GLN CB C 72 28.167 28.167 28.451 -0.284 18087 390 1 . 1 1 72 72 GLN H H 72 8.021 8.021 9.041 -1.020 18087 391 1 . 1 1 73 73 GLU N N 73 119.195 119.195 119.955 -0.760 18087 392 1 . 1 1 73 73 GLU HA H 73 4.493 4.493 4.015 0.478 18087 393 1 . 1 1 73 73 GLU CA C 73 55.179 55.179 59.210 -4.031 18087 394 1 . 1 1 73 73 GLU CB C 73 31.814 31.814 29.555 2.259 18087 395 1 . 1 1 73 73 GLU H H 73 8.066 8.066 8.402 -0.336 18087 396 1 . 1 1 74 74 TYR HA H 74 4.086 4.086 4.141 -0.055 18087 397 1 . 1 1 74 74 TYR CA C 74 60.497 60.497 61.070 -0.573 18087 398 1 . 1 1 74 74 TYR CB C 74 37.826 37.826 38.606 -0.780 18087 399 1 . 1 1 75 75 VAL N N 75 120.072 120.072 116.387 3.685 18087 400 1 . 1 1 75 75 VAL HA H 75 2.983 2.983 3.061 -0.077 18087 401 1 . 1 1 75 75 VAL C C 75 177.295 177.295 177.331 -0.036 18087 402 1 . 1 1 75 75 VAL CA C 75 65.692 65.692 65.886 -0.194 18087 403 1 . 1 1 75 75 VAL CB C 75 30.618 30.618 30.664 -0.046 18087 404 1 . 1 1 75 75 VAL H H 75 8.291 8.291 8.240 0.051 18087 405 1 . 1 1 76 76 VAL N N 76 121.367 121.367 120.309 1.058 18087 406 1 . 1 1 76 76 VAL HA H 76 3.520 3.520 3.565 -0.045 18087 407 1 . 1 1 76 76 VAL C C 76 178.847 178.847 177.408 1.439 18087 408 1 . 1 1 76 76 VAL CA C 76 66.553 66.553 65.769 0.784 18087 409 1 . 1 1 76 76 VAL CB C 76 31.388 31.388 31.339 0.049 18087 410 1 . 1 1 76 76 VAL H H 76 7.571 7.571 7.391 0.180 18087 411 1 . 1 1 77 77 LEU N N 77 123.054 123.054 121.260 1.794 18087 412 1 . 1 1 77 77 LEU HA H 77 4.129 4.129 3.969 0.160 18087 413 1 . 1 1 77 77 LEU C C 77 179.065 179.065 178.148 0.917 18087 414 1 . 1 1 77 77 LEU CA C 77 58.492 58.492 58.245 0.247 18087 415 1 . 1 1 77 77 LEU CB C 77 41.296 41.296 41.600 -0.304 18087 416 1 . 1 1 77 77 LEU H H 77 7.360 7.360 7.770 -0.410 18087 417 1 . 1 1 78 78 VAL N N 78 119.163 119.163 116.160 3.003 18087 418 1 . 1 1 78 78 VAL HA H 78 3.273 3.273 3.562 -0.289 18087 419 1 . 1 1 78 78 VAL C C 78 180.217 180.217 177.799 2.418 18087 420 1 . 1 1 78 78 VAL CA C 78 67.270 67.270 65.986 1.284 18087 421 1 . 1 1 78 78 VAL CB C 78 31.181 31.181 30.629 0.552 18087 422 1 . 1 1 78 78 VAL H H 78 8.192 8.192 7.683 0.509 18087 423 1 . 1 1 79 79 ALA N N 79 125.884 125.884 123.566 2.318 18087 424 1 . 1 1 79 79 ALA HA H 79 3.797 3.797 3.810 -0.013 18087 425 1 . 1 1 79 79 ALA C C 79 178.708 178.708 178.888 -0.180 18087 426 1 . 1 1 79 79 ALA CA C 79 55.891 55.891 55.130 0.760 18087 427 1 . 1 1 79 79 ALA CB C 79 17.363 17.363 17.849 -0.486 18087 428 1 . 1 1 79 79 ALA H H 79 9.067 9.067 8.606 0.461 18087 429 1 . 1 1 80 80 ALA N N 80 121.108 121.108 121.768 -0.660 18087 430 1 . 1 1 80 80 ALA HA H 80 4.124 4.124 3.931 0.193 18087 431 1 . 1 1 80 80 ALA C C 80 182.175 182.175 179.611 2.564 18087 432 1 . 1 1 80 80 ALA CA C 80 55.423 55.423 55.178 0.245 18087 433 1 . 1 1 80 80 ALA CB C 80 17.669 17.669 18.053 -0.384 18087 434 1 . 1 1 80 80 ALA H H 80 7.776 7.776 8.633 -0.857 18087 435 1 . 1 1 81 81 LEU N N 81 118.519 118.519 118.351 0.168 18087 436 1 . 1 1 81 81 LEU HA H 81 4.118 4.118 3.908 0.210 18087 437 1 . 1 1 81 81 LEU C C 81 177.959 177.959 179.331 -1.372 18087 438 1 . 1 1 81 81 LEU CA C 81 57.489 57.489 57.788 -0.300 18087 439 1 . 1 1 81 81 LEU CB C 81 42.169 42.169 41.572 0.597 18087 440 1 . 1 1 81 81 LEU H H 81 8.097 8.097 7.784 0.313 18087 441 1 . 1 1 82 82 THR N N 82 119.572 119.572 116.291 3.281 18087 442 1 . 1 1 82 82 THR HA H 82 3.777 3.777 3.147 0.630 18087 443 1 . 1 1 82 82 THR C C 82 176.911 176.911 176.493 0.418 18087 444 1 . 1 1 82 82 THR CA C 82 68.058 68.058 66.749 1.309 18087 445 1 . 1 1 82 82 THR CB C 82 67.402 67.402 68.205 -0.803 18087 446 1 . 1 1 82 82 THR H H 82 8.537 8.537 8.195 0.342 18087 447 1 . 1 1 83 83 VAL N N 83 123.805 123.805 121.768 2.037 18087 448 1 . 1 1 83 83 VAL HA H 83 3.730 3.730 3.648 0.082 18087 449 1 . 1 1 83 83 VAL C C 83 177.787 177.787 177.065 0.722 18087 450 1 . 1 1 83 83 VAL CA C 83 67.394 67.394 65.630 1.764 18087 451 1 . 1 1 83 83 VAL CB C 83 31.691 31.691 31.268 0.423 18087 452 1 . 1 1 83 83 VAL H H 83 8.283 8.283 8.613 -0.330 18087 453 1 . 1 1 84 84 ALA N N 84 121.134 121.134 122.529 -1.395 18087 454 1 . 1 1 84 84 ALA HA H 84 4.236 4.236 3.907 0.329 18087 455 1 . 1 1 84 84 ALA C C 84 180.511 180.511 179.653 0.858 18087 456 1 . 1 1 84 84 ALA CA C 84 55.175 55.175 55.245 -0.070 18087 457 1 . 1 1 84 84 ALA CB C 84 17.427 17.427 18.267 -0.840 18087 458 1 . 1 1 84 84 ALA H H 84 7.466 7.466 8.176 -0.710 18087 459 1 . 1 1 85 85 MET N N 85 121.755 121.755 117.735 4.020 18087 460 1 . 1 1 85 85 MET HA H 85 3.796 3.796 4.270 -0.474 18087 461 1 . 1 1 85 85 MET CA C 85 59.656 59.656 58.343 1.313 18087 462 1 . 1 1 85 85 MET CB C 85 33.653 33.653 32.799 0.854 18087 463 1 . 1 1 85 85 MET H H 85 8.549 8.549 8.374 0.175 18087 464 1 . 1 1 86 86 ASN N N 86 119.410 119.410 118.846 0.564 18087 465 1 . 1 1 86 86 ASN HA H 86 4.152 4.152 4.440 -0.288 18087 466 1 . 1 1 86 86 ASN C C 86 176.834 176.834 177.178 -0.344 18087 467 1 . 1 1 86 86 ASN CA C 86 58.062 58.062 56.568 1.494 18087 468 1 . 1 1 86 86 ASN CB C 86 39.930 39.930 38.270 1.660 18087 469 1 . 1 1 86 86 ASN H H 86 8.615 8.615 8.872 -0.257 18087 470 1 . 1 1 87 87 ASN N N 87 117.077 117.077 119.018 -1.941 18087 471 1 . 1 1 87 87 ASN HA H 87 4.446 4.446 4.049 0.397 18087 472 1 . 1 1 87 87 ASN C C 87 176.906 176.906 177.065 -0.159 18087 473 1 . 1 1 87 87 ASN CA C 87 55.602 55.602 56.031 -0.429 18087 474 1 . 1 1 87 87 ASN CB C 87 37.576 37.576 38.188 -0.612 18087 475 1 . 1 1 87 87 ASN H H 87 8.286 8.286 8.375 -0.089 18087 476 1 . 1 1 88 88 PHE N N 88 119.698 119.698 119.659 0.039 18087 477 1 . 1 1 88 88 PHE HA H 88 4.478 4.478 4.232 0.246 18087 478 1 . 1 1 88 88 PHE C C 88 177.057 177.057 177.540 -0.483 18087 479 1 . 1 1 88 88 PHE CA C 88 59.546 59.546 61.239 -1.693 18087 480 1 . 1 1 88 88 PHE CB C 88 39.611 39.611 38.561 1.050 18087 481 1 . 1 1 88 88 PHE H H 88 7.909 7.909 7.797 0.112 18087 482 1 . 1 1 89 89 PHE N N 89 116.219 116.219 118.657 -2.438 18087 483 1 . 1 1 89 89 PHE HA H 89 4.210 4.210 4.060 0.150 18087 484 1 . 1 1 89 89 PHE C C 89 177.637 177.637 177.453 0.184 18087 485 1 . 1 1 89 89 PHE CA C 89 58.752 58.752 61.039 -2.287 18087 486 1 . 1 1 89 89 PHE CB C 89 39.781 39.781 38.072 1.710 18087 487 1 . 1 1 89 89 PHE H H 89 8.049 8.049 7.878 0.171 18087 488 1 . 1 1 90 90 TRP N N 90 117.712 117.712 118.100 -0.388 18087 489 1 . 1 1 90 90 TRP HA H 90 4.528 4.528 4.468 0.060 18087 490 1 . 1 1 90 90 TRP C C 90 176.741 176.741 178.231 -1.490 18087 491 1 . 1 1 90 90 TRP CA C 90 58.109 58.109 58.819 -0.710 18087 492 1 . 1 1 90 90 TRP CB C 90 29.720 29.720 28.923 0.797 18087 493 1 . 1 1 90 90 TRP H H 90 8.257 8.257 7.840 0.417 18087 494 1 . 1 1 91 91 GLU N N 91 120.493 120.493 116.948 3.545 18087 495 1 . 1 1 91 91 GLU HA H 91 4.428 4.428 4.236 0.192 18087 496 1 . 1 1 91 91 GLU C C 91 176.393 176.393 176.812 -0.419 18087 497 1 . 1 1 91 91 GLU CA C 91 57.193 57.193 57.587 -0.394 18087 498 1 . 1 1 91 91 GLU CB C 91 29.850 29.850 30.215 -0.365 18087 499 1 . 1 1 91 91 GLU H H 91 7.988 7.988 8.250 -0.262 18087 500 1 . 1 1 92 92 ASN N N 92 119.006 119.006 119.071 -0.065 18087 501 1 . 1 1 92 92 ASN HA H 92 4.787 4.787 4.560 0.227 18087 502 1 . 1 1 92 92 ASN C C 92 174.284 174.284 173.741 0.543 18087 503 1 . 1 1 92 92 ASN CA C 92 53.198 53.198 53.641 -0.443 18087 504 1 . 1 1 92 92 ASN CB C 92 39.233 39.233 38.454 0.779 18087 505 1 . 1 1 92 92 ASN H H 92 8.203 8.203 8.215 -0.012 18087 stop_ save_