data_18226 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18226 _Entry.PDB_ID 2LOV 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 18226 _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 GLU N N 2 123.545 123.545 121.817 1.728 18226 2 1 1 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.112 0.274 18226 3 1 1 . 1 1 2 2 GLU C C 2 175.742 175.742 175.958 -0.216 18226 4 1 1 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.553 -0.190 18226 5 1 1 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.089 0.666 18226 6 1 1 . 1 1 2 2 GLU H H 2 8.765 8.765 8.719 0.046 18226 7 1 1 . 1 1 3 3 GLU N N 3 122.227 122.227 120.061 2.166 18226 8 1 1 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.109 0.224 18226 9 1 1 . 1 1 3 3 GLU C C 3 176.636 176.636 177.602 -0.966 18226 10 1 1 . 1 1 3 3 GLU CA C 3 56.488 56.488 57.469 -0.981 18226 11 1 1 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.927 -0.170 18226 12 1 1 . 1 1 3 3 GLU H H 3 8.550 8.550 8.524 0.026 18226 13 1 1 . 1 1 4 4 GLY N N 4 110.108 110.108 109.050 1.058 18226 14 1 1 . 1 1 4 4 GLY C C 4 174.548 174.548 174.196 0.352 18226 15 1 1 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.852 0.623 18226 16 1 1 . 1 1 4 4 GLY H H 4 8.453 8.453 8.189 0.264 18226 17 1 1 . 1 1 5 5 GLY N N 5 108.466 108.466 106.860 1.606 18226 18 1 1 . 1 1 5 5 GLY C C 5 173.790 173.790 173.188 0.602 18226 19 1 1 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.905 0.459 18226 20 1 1 . 1 1 5 5 GLY H H 5 8.168 8.168 8.072 0.096 18226 21 1 1 . 1 1 6 6 ASP N N 6 119.764 119.764 123.371 -3.607 18226 22 1 1 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.155 0.428 18226 23 1 1 . 1 1 6 6 ASP C C 6 175.811 175.811 174.299 1.512 18226 24 1 1 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.153 -0.161 18226 25 1 1 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.766 -1.509 18226 26 1 1 . 1 1 6 6 ASP H H 6 8.187 8.187 8.331 -0.144 18226 27 1 1 . 1 1 7 7 PHE N N 7 119.941 119.941 119.355 0.586 18226 28 1 1 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.351 0.215 18226 29 1 1 . 1 1 7 7 PHE C C 7 175.636 175.636 174.486 1.150 18226 30 1 1 . 1 1 7 7 PHE CA C 7 58.071 58.071 56.968 1.103 18226 31 1 1 . 1 1 7 7 PHE CB C 7 39.319 39.319 39.303 0.016 18226 32 1 1 . 1 1 7 7 PHE H H 7 8.103 8.103 8.053 0.050 18226 33 1 1 . 1 1 8 8 ASP N N 8 120.418 120.418 121.060 -0.642 18226 34 1 1 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.826 -0.289 18226 35 1 1 . 1 1 8 8 ASP C C 8 175.548 175.548 174.639 0.909 18226 36 1 1 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.342 0.031 18226 37 1 1 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.874 -1.488 18226 38 1 1 . 1 1 8 8 ASP H H 8 8.177 8.177 8.431 -0.254 18226 39 1 1 . 1 1 9 9 ASN N N 9 118.260 118.260 118.854 -0.594 18226 40 1 1 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.802 -0.215 18226 41 1 1 . 1 1 9 9 ASN C C 9 174.782 174.782 173.614 1.168 18226 42 1 1 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.603 -0.206 18226 43 1 1 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.975 -1.213 18226 44 1 1 . 1 1 9 9 ASN H H 9 8.057 8.057 8.147 -0.090 18226 45 1 1 . 1 1 10 10 TYR N N 10 120.145 120.145 119.971 0.174 18226 46 1 1 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.038 0.401 18226 47 1 1 . 1 1 10 10 TYR C C 10 175.520 175.520 174.293 1.227 18226 48 1 1 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.553 -1.185 18226 49 1 1 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.590 1.159 18226 50 1 1 . 1 1 10 10 TYR H H 10 7.951 7.951 8.617 -0.666 18226 51 1 1 . 1 1 11 11 TYR N N 11 121.223 121.223 120.355 0.868 18226 52 1 1 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.477 0.022 18226 53 1 1 . 1 1 11 11 TYR C C 11 175.974 175.974 176.048 -0.074 18226 54 1 1 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.920 -0.847 18226 55 1 1 . 1 1 11 11 TYR CB C 11 38.671 38.671 36.391 2.280 18226 56 1 1 . 1 1 11 11 TYR H H 11 7.971 7.971 8.200 -0.229 18226 57 1 1 . 1 1 12 12 GLY N N 12 109.861 109.861 111.680 -1.819 18226 58 1 1 . 1 1 12 12 GLY C C 12 173.775 173.775 172.997 0.778 18226 59 1 1 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.164 0.216 18226 60 1 1 . 1 1 12 12 GLY H H 12 7.769 7.769 7.659 0.110 18226 61 1 1 . 1 1 13 13 ALA N N 13 123.378 123.378 122.835 0.543 18226 62 1 1 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.228 0.074 18226 63 1 1 . 1 1 13 13 ALA C C 13 177.509 177.509 175.910 1.599 18226 64 1 1 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.057 0.570 18226 65 1 1 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.356 0.088 18226 66 1 1 . 1 1 13 13 ALA H H 13 7.975 7.975 7.752 0.223 18226 67 1 1 . 1 1 14 14 ASP N N 14 118.494 118.494 119.313 -0.819 18226 68 1 1 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.395 0.239 18226 69 1 1 . 1 1 14 14 ASP C C 14 175.747 175.747 174.581 1.166 18226 70 1 1 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.753 -0.751 18226 71 1 1 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.083 0.079 18226 72 1 1 . 1 1 14 14 ASP H H 14 8.307 8.307 8.591 -0.284 18226 73 1 1 . 1 1 15 15 ASN N N 15 118.834 118.834 114.743 4.091 18226 74 1 1 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.445 0.217 18226 75 1 1 . 1 1 15 15 ASN C C 15 175.258 175.258 175.406 -0.148 18226 76 1 1 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.842 -0.327 18226 77 1 1 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.138 0.619 18226 78 1 1 . 1 1 15 15 ASN H H 15 8.221 8.221 8.356 -0.135 18226 79 1 1 . 1 1 16 16 GLN N N 16 120.413 120.413 120.123 0.290 18226 80 1 1 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.323 0.032 18226 81 1 1 . 1 1 16 16 GLN C C 16 176.096 176.096 176.104 -0.008 18226 82 1 1 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.160 -0.920 18226 83 1 1 . 1 1 16 16 GLN CB C 16 29.370 29.370 29.277 0.093 18226 84 1 1 . 1 1 16 16 GLN H H 16 8.295 8.295 8.393 -0.098 18226 85 1 1 . 1 1 17 17 SER N N 17 116.692 116.692 113.463 3.229 18226 86 1 1 . 1 1 17 17 SER HA H 17 4.428 4.428 4.616 -0.188 18226 87 1 1 . 1 1 17 17 SER C C 17 174.523 174.523 173.999 0.524 18226 88 1 1 . 1 1 17 17 SER CA C 17 58.683 58.683 58.060 0.623 18226 89 1 1 . 1 1 17 17 SER CB C 17 63.794 63.794 63.836 -0.042 18226 90 1 1 . 1 1 17 17 SER H H 17 8.267 8.267 8.079 0.188 18226 91 1 1 . 1 1 18 18 GLU N N 18 122.142 122.142 122.194 -0.052 18226 92 1 1 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.068 0.295 18226 93 1 1 . 1 1 18 18 GLU C C 18 175.937 175.937 176.818 -0.881 18226 94 1 1 . 1 1 18 18 GLU CA C 18 56.305 56.305 59.335 -3.030 18226 95 1 1 . 1 1 18 18 GLU CB C 18 29.506 29.506 29.767 -0.261 18226 96 1 1 . 1 1 18 18 GLU H H 18 8.330 8.330 8.442 -0.112 18226 97 1 1 . 1 1 19 19 CYS N N 19 120.077 120.077 113.982 6.095 18226 98 1 1 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.206 0.226 18226 99 1 1 . 1 1 19 19 CYS C C 19 174.442 174.442 174.043 0.399 18226 100 1 1 . 1 1 19 19 CYS CA C 19 58.613 58.613 60.025 -1.412 18226 101 1 1 . 1 1 19 19 CYS CB C 19 27.999 27.999 26.195 1.804 18226 102 1 1 . 1 1 19 19 CYS H H 19 8.276 8.276 8.488 -0.212 18226 103 1 1 . 1 1 20 20 GLU N N 20 123.369 123.369 117.512 5.857 18226 104 1 1 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.539 -0.236 18226 105 1 1 . 1 1 20 20 GLU C C 20 175.858 175.858 175.754 0.104 18226 106 1 1 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.084 0.373 18226 107 1 1 . 1 1 20 20 GLU CB C 20 29.150 29.150 30.631 -1.481 18226 108 1 1 . 1 1 20 20 GLU H H 20 8.400 8.400 8.151 0.249 18226 109 1 1 . 1 1 21 21 TYR N N 21 119.980 119.980 120.584 -0.604 18226 110 1 1 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.792 -0.248 18226 111 1 1 . 1 1 21 21 TYR C C 21 175.669 175.669 175.267 0.402 18226 112 1 1 . 1 1 21 21 TYR CA C 21 58.103 58.103 60.168 -2.065 18226 113 1 1 . 1 1 21 21 TYR CB C 21 38.677 38.677 39.544 -0.867 18226 114 1 1 . 1 1 21 21 TYR H H 21 7.991 7.991 8.218 -0.227 18226 115 1 1 . 1 1 22 22 THR N N 22 113.984 113.984 110.782 3.202 18226 116 1 1 . 1 1 22 22 THR HA H 22 4.164 4.164 4.577 -0.413 18226 117 1 1 . 1 1 22 22 THR C C 22 174.259 174.259 174.502 -0.243 18226 118 1 1 . 1 1 22 22 THR CA C 22 62.381 62.381 62.433 -0.052 18226 119 1 1 . 1 1 22 22 THR CB C 22 69.551 69.551 70.028 -0.477 18226 120 1 1 . 1 1 22 22 THR H H 22 7.821 7.821 8.087 -0.266 18226 121 1 1 . 1 1 23 23 ASP N N 23 121.930 121.930 122.211 -0.281 18226 122 1 1 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.718 -0.047 18226 123 1 1 . 1 1 23 23 ASP C C 23 176.164 176.164 177.812 -1.648 18226 124 1 1 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.660 -0.979 18226 125 1 1 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.428 -1.822 18226 126 1 1 . 1 1 23 23 ASP H H 23 8.106 8.106 8.580 -0.474 18226 127 1 1 . 1 1 24 24 TRP N N 24 121.947 121.947 121.186 0.761 18226 128 1 1 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.486 -0.004 18226 129 1 1 . 1 1 24 24 TRP C C 24 176.496 176.496 175.356 1.140 18226 130 1 1 . 1 1 24 24 TRP CA C 24 58.238 58.238 59.257 -1.019 18226 131 1 1 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.488 0.700 18226 132 1 1 . 1 1 24 24 TRP H H 24 7.991 7.991 8.614 -0.623 18226 133 1 1 . 1 1 25 25 LYS N N 25 119.673 119.673 115.251 4.422 18226 134 1 1 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.102 -0.113 18226 135 1 1 . 1 1 25 25 LYS C C 25 176.770 176.770 174.910 1.860 18226 136 1 1 . 1 1 25 25 LYS CA C 25 57.467 57.467 54.767 2.700 18226 137 1 1 . 1 1 25 25 LYS CB C 25 31.953 31.953 30.898 1.054 18226 138 1 1 . 1 1 25 25 LYS H H 25 7.588 7.588 7.254 0.334 18226 139 1 1 . 1 1 26 26 SER N N 26 114.157 114.157 115.754 -1.597 18226 140 1 1 . 1 1 26 26 SER HA H 26 4.462 4.462 4.058 0.404 18226 141 1 1 . 1 1 26 26 SER C C 26 175.126 175.126 174.254 0.872 18226 142 1 1 . 1 1 26 26 SER CA C 26 58.673 58.673 59.499 -0.826 18226 143 1 1 . 1 1 26 26 SER CB C 26 63.801 63.801 61.776 2.025 18226 144 1 1 . 1 1 26 26 SER H H 26 7.823 7.823 7.976 -0.153 18226 145 1 1 . 1 1 27 27 SER N N 27 117.353 117.353 116.709 0.644 18226 146 1 1 . 1 1 27 27 SER HA H 27 4.288 4.288 4.613 -0.325 18226 147 1 1 . 1 1 27 27 SER C C 27 175.598 175.598 173.936 1.662 18226 148 1 1 . 1 1 27 27 SER CA C 27 60.216 60.216 58.592 1.625 18226 149 1 1 . 1 1 27 27 SER CB C 27 63.684 63.684 65.041 -1.357 18226 150 1 1 . 1 1 27 27 SER H H 27 8.178 8.178 8.268 -0.090 18226 151 1 1 . 1 1 28 28 GLY N N 28 110.249 110.249 107.071 3.178 18226 152 1 1 . 1 1 28 28 GLY C C 28 174.667 174.667 173.357 1.310 18226 153 1 1 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.409 0.867 18226 154 1 1 . 1 1 28 28 GLY H H 28 8.359 8.359 8.006 0.353 18226 155 1 1 . 1 1 29 29 ALA N N 29 121.959 121.959 121.819 0.140 18226 156 1 1 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.518 -0.190 18226 157 1 1 . 1 1 29 29 ALA C C 29 177.873 177.873 177.062 0.811 18226 158 1 1 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.744 0.517 18226 159 1 1 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.881 -0.244 18226 160 1 1 . 1 1 29 29 ALA H H 29 7.931 7.931 7.843 0.088 18226 161 1 1 . 1 1 30 30 LEU N N 30 117.460 117.460 117.600 -0.140 18226 162 1 1 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.550 -0.342 18226 163 1 1 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.601 1.791 18226 164 1 1 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.139 0.466 18226 165 1 1 . 1 1 30 30 LEU H H 30 7.924 7.924 7.947 -0.024 18226 166 1 1 . 1 1 31 31 ILE N N 31 117.379 117.379 118.080 -0.701 18226 167 1 1 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.424 -0.501 18226 168 1 1 . 1 1 31 31 ILE CA C 31 66.011 66.011 62.566 3.445 18226 169 1 1 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.080 0.144 18226 170 1 1 . 1 1 31 31 ILE H H 31 8.100 8.100 7.848 0.252 18226 171 1 1 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.584 -0.266 18226 172 1 1 . 1 1 32 32 PRO C C 32 178.706 178.706 175.750 2.956 18226 173 1 1 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.429 2.602 18226 174 1 1 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.367 0.900 18226 175 1 1 . 1 1 33 33 ALA N N 33 119.040 119.040 120.830 -1.790 18226 176 1 1 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.509 -0.314 18226 177 1 1 . 1 1 33 33 ALA C C 33 179.052 179.052 177.037 2.015 18226 178 1 1 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.269 3.124 18226 179 1 1 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.040 -1.509 18226 180 1 1 . 1 1 33 33 ALA H H 33 7.462 7.462 8.250 -0.788 18226 181 1 1 . 1 1 34 34 ILE N N 34 118.037 118.037 114.011 4.026 18226 182 1 1 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.321 -0.599 18226 183 1 1 . 1 1 34 34 ILE C C 34 177.827 177.827 176.965 0.862 18226 184 1 1 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.043 2.980 18226 185 1 1 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.522 -2.181 18226 186 1 1 . 1 1 34 34 ILE H H 34 8.176 8.176 7.446 0.730 18226 187 1 1 . 1 1 35 35 TYR N N 35 118.783 118.783 120.528 -1.745 18226 188 1 1 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.328 -0.183 18226 189 1 1 . 1 1 35 35 TYR C C 35 178.062 178.062 176.353 1.709 18226 190 1 1 . 1 1 35 35 TYR CA C 35 61.548 61.548 61.204 0.344 18226 191 1 1 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.262 -0.520 18226 192 1 1 . 1 1 35 35 TYR H H 35 8.306 8.306 7.705 0.601 18226 193 1 1 . 1 1 36 36 MET N N 36 118.068 118.068 117.674 0.394 18226 194 1 1 . 1 1 36 36 MET HA H 36 4.317 4.317 4.666 -0.349 18226 195 1 1 . 1 1 36 36 MET C C 36 178.183 178.183 177.794 0.389 18226 196 1 1 . 1 1 36 36 MET CA C 36 58.533 58.533 57.074 1.459 18226 197 1 1 . 1 1 36 36 MET CB C 36 32.288 32.288 32.825 -0.537 18226 198 1 1 . 1 1 36 36 MET H H 36 8.090 8.090 7.821 0.269 18226 199 1 1 . 1 1 37 37 LEU N N 37 120.316 120.316 115.433 4.883 18226 200 1 1 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.348 -0.233 18226 201 1 1 . 1 1 37 37 LEU C C 37 178.353 178.353 176.836 1.517 18226 202 1 1 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.840 1.490 18226 203 1 1 . 1 1 37 37 LEU CB C 37 41.914 41.914 40.640 1.274 18226 204 1 1 . 1 1 37 37 LEU H H 37 8.106 8.106 8.152 -0.046 18226 205 1 1 . 1 1 38 38 VAL N N 38 118.385 118.385 117.961 0.424 18226 206 1 1 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.933 -0.404 18226 207 1 1 . 1 1 38 38 VAL C C 38 178.216 178.216 177.066 1.150 18226 208 1 1 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.637 3.405 18226 209 1 1 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.598 -0.973 18226 210 1 1 . 1 1 38 38 VAL H H 38 8.305 8.305 7.284 1.021 18226 211 1 1 . 1 1 39 39 PHE N N 39 120.216 120.216 121.790 -1.574 18226 212 1 1 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.128 0.133 18226 213 1 1 . 1 1 39 39 PHE C C 39 178.597 178.597 175.924 2.673 18226 214 1 1 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.094 -0.774 18226 215 1 1 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.608 -0.719 18226 216 1 1 . 1 1 39 39 PHE H H 39 8.196 8.196 8.055 0.141 18226 217 1 1 . 1 1 40 40 LEU N N 40 120.772 120.772 116.613 4.159 18226 218 1 1 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.362 -0.312 18226 219 1 1 . 1 1 40 40 LEU C C 40 179.666 179.666 175.798 3.868 18226 220 1 1 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.508 3.398 18226 221 1 1 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.037 1.303 18226 222 1 1 . 1 1 40 40 LEU H H 40 8.452 8.452 7.588 0.865 18226 223 1 1 . 1 1 41 41 LEU N N 41 119.185 119.185 120.603 -1.418 18226 224 1 1 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.583 -0.484 18226 225 1 1 . 1 1 41 41 LEU C C 41 178.878 178.878 176.738 2.140 18226 226 1 1 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.291 1.095 18226 227 1 1 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.725 -1.870 18226 228 1 1 . 1 1 41 41 LEU H H 41 8.435 8.435 7.953 0.482 18226 229 1 1 . 1 1 42 42 GLY N N 42 105.718 105.718 107.811 -2.093 18226 230 1 1 . 1 1 42 42 GLY C C 42 174.908 174.908 174.382 0.526 18226 231 1 1 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.788 -0.146 18226 232 1 1 . 1 1 42 42 GLY H H 42 8.208 8.208 8.186 0.022 18226 233 1 1 . 1 1 43 43 THR N N 43 111.959 111.959 112.936 -0.977 18226 234 1 1 . 1 1 43 43 THR HA H 43 4.348 4.348 4.203 0.145 18226 235 1 1 . 1 1 43 43 THR C C 43 175.665 175.665 174.365 1.300 18226 236 1 1 . 1 1 43 43 THR CA C 43 63.097 63.097 62.851 0.246 18226 237 1 1 . 1 1 43 43 THR CB C 43 69.867 69.867 69.121 0.746 18226 238 1 1 . 1 1 43 43 THR H H 43 7.789 7.789 7.495 0.294 18226 239 1 1 . 1 1 44 44 THR N N 44 113.271 113.271 116.003 -2.732 18226 240 1 1 . 1 1 44 44 THR HA H 44 4.308 4.308 3.863 0.445 18226 241 1 1 . 1 1 44 44 THR C C 44 175.754 175.754 175.601 0.153 18226 242 1 1 . 1 1 44 44 THR CA C 44 63.194 63.194 63.735 -0.541 18226 243 1 1 . 1 1 44 44 THR CB C 44 70.171 70.171 68.064 2.107 18226 244 1 1 . 1 1 44 44 THR H H 44 7.833 7.833 7.898 -0.065 18226 245 1 1 . 1 1 45 45 GLY N N 45 109.879 109.879 108.369 1.510 18226 246 1 1 . 1 1 45 45 GLY C C 45 175.221 175.221 175.081 0.140 18226 247 1 1 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.009 1.530 18226 248 1 1 . 1 1 45 45 GLY H H 45 8.259 8.259 8.160 0.099 18226 249 1 1 . 1 1 46 46 ASN N N 46 117.998 117.998 118.406 -0.408 18226 250 1 1 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.862 -0.250 18226 251 1 1 . 1 1 46 46 ASN C C 46 176.215 176.215 176.084 0.131 18226 252 1 1 . 1 1 46 46 ASN CA C 46 54.840 54.840 53.839 1.001 18226 253 1 1 . 1 1 46 46 ASN CB C 46 38.566 38.566 39.321 -0.755 18226 254 1 1 . 1 1 46 46 ASN H H 46 8.235 8.235 8.596 -0.361 18226 255 1 1 . 1 1 47 47 GLY N N 47 106.990 106.990 107.848 -0.858 18226 256 1 1 . 1 1 47 47 GLY C C 47 174.659 174.659 174.423 0.236 18226 257 1 1 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.943 1.036 18226 258 1 1 . 1 1 47 47 GLY H H 47 8.425 8.425 7.597 0.828 18226 259 1 1 . 1 1 48 48 LEU N N 48 120.699 120.699 116.160 4.539 18226 260 1 1 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.785 -0.485 18226 261 1 1 . 1 1 48 48 LEU C C 48 179.482 179.482 176.889 2.593 18226 262 1 1 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.349 2.096 18226 263 1 1 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.925 -0.359 18226 264 1 1 . 1 1 48 48 LEU H H 48 7.956 7.956 7.758 0.198 18226 265 1 1 . 1 1 49 49 VAL N N 49 120.101 120.101 117.231 2.870 18226 266 1 1 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.262 -0.383 18226 267 1 1 . 1 1 49 49 VAL C C 49 177.535 177.535 175.900 1.635 18226 268 1 1 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.532 2.330 18226 269 1 1 . 1 1 49 49 VAL CB C 49 31.779 31.779 33.824 -2.045 18226 270 1 1 . 1 1 49 49 VAL H H 49 7.919 7.919 7.485 0.434 18226 271 1 1 . 1 1 50 50 LEU N N 50 119.268 119.268 120.527 -1.259 18226 272 1 1 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.529 -0.486 18226 273 1 1 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.323 0.522 18226 274 1 1 . 1 1 50 50 LEU CB C 50 41.877 41.877 43.777 -1.900 18226 275 1 1 . 1 1 50 50 LEU H H 50 7.731 7.731 7.532 0.199 18226 276 1 1 . 1 1 51 51 TRP N N 51 118.033 118.033 121.052 -3.019 18226 277 1 1 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.200 0.392 18226 278 1 1 . 1 1 51 51 TRP C C 51 177.302 177.302 178.047 -0.745 18226 279 1 1 . 1 1 51 51 TRP CA C 51 59.789 59.789 60.428 -0.639 18226 280 1 1 . 1 1 51 51 TRP CB C 51 30.207 30.207 28.062 2.145 18226 281 1 1 . 1 1 51 51 TRP H H 51 8.070 8.070 8.044 0.026 18226 282 1 1 . 1 1 52 52 THR N N 52 113.014 113.014 116.849 -3.835 18226 283 1 1 . 1 1 52 52 THR HA H 52 3.746 3.746 3.291 0.455 18226 284 1 1 . 1 1 52 52 THR C C 52 176.361 176.361 176.211 0.150 18226 285 1 1 . 1 1 52 52 THR CA C 52 66.443 66.443 65.291 1.152 18226 286 1 1 . 1 1 52 52 THR CB C 52 69.017 69.017 68.138 0.879 18226 287 1 1 . 1 1 52 52 THR H H 52 8.101 8.101 7.819 0.282 18226 288 1 1 . 1 1 53 53 VAL N N 53 120.231 120.231 120.504 -0.273 18226 289 1 1 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.581 0.097 18226 290 1 1 . 1 1 53 53 VAL C C 53 177.482 177.482 177.720 -0.238 18226 291 1 1 . 1 1 53 53 VAL CA C 53 66.158 66.158 65.875 0.283 18226 292 1 1 . 1 1 53 53 VAL CB C 53 31.767 31.767 30.919 0.848 18226 293 1 1 . 1 1 53 53 VAL H H 53 7.905 7.905 8.487 -0.582 18226 294 1 1 . 1 1 54 54 PHE N N 54 118.609 118.609 117.572 1.037 18226 295 1 1 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.221 0.012 18226 296 1 1 . 1 1 54 54 PHE CA C 54 60.666 60.666 59.097 1.569 18226 297 1 1 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.589 0.669 18226 298 1 1 . 1 1 54 54 PHE H H 54 8.025 8.025 7.462 0.563 18226 299 1 1 . 1 1 55 55 ARG N N 55 117.305 117.305 118.869 -1.564 18226 300 1 1 . 1 1 55 55 ARG HA H 55 3.808 3.808 3.986 -0.178 18226 301 1 1 . 1 1 55 55 ARG CA C 55 57.710 57.710 56.664 1.046 18226 302 1 1 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.347 -1.684 18226 303 1 1 . 1 1 55 55 ARG H H 55 8.025 8.025 8.359 -0.334 18226 304 1 1 . 1 1 56 56 LYS N N 56 118.321 118.321 120.317 -1.996 18226 305 1 1 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.635 0.535 18226 306 1 1 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.576 -1.136 18226 307 1 1 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.648 1.280 18226 308 1 1 . 1 1 56 56 LYS H H 56 7.717 7.717 8.278 -0.561 18226 309 1 1 . 1 1 57 57 LYS N N 57 118.349 118.349 117.568 0.781 18226 310 1 1 . 1 1 57 57 LYS HA H 57 4.289 4.289 3.943 0.346 18226 311 1 1 . 1 1 57 57 LYS C C 57 176.891 176.891 177.230 -0.339 18226 312 1 1 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.746 -1.373 18226 313 1 1 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.498 0.366 18226 314 1 1 . 1 1 57 57 LYS H H 57 7.872 7.872 7.513 0.359 18226 315 1 1 . 1 1 58 58 GLY N N 58 107.442 107.442 105.280 2.162 18226 316 1 1 . 1 1 58 58 GLY C C 58 173.263 173.263 173.186 0.077 18226 317 1 1 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.566 0.990 18226 318 1 1 . 1 1 58 58 GLY H H 58 8.060 8.060 7.416 0.644 18226 319 1 1 . 1 1 59 59 HIS N N 59 116.928 116.928 121.262 -4.334 18226 320 1 1 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.028 0.640 18226 321 1 1 . 1 1 59 59 HIS C C 59 173.935 173.935 175.964 -2.029 18226 322 1 1 . 1 1 59 59 HIS CA C 59 55.085 55.085 59.170 -4.085 18226 323 1 1 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.969 -0.746 18226 324 1 1 . 1 1 59 59 HIS H H 59 8.076 8.076 8.460 -0.384 18226 325 1 1 . 1 1 60 60 HIS N N 60 119.187 119.187 117.587 1.600 18226 326 1 1 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.552 0.119 18226 327 1 1 . 1 1 60 60 HIS C C 60 173.926 173.926 175.328 -1.402 18226 328 1 1 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.711 -1.282 18226 329 1 1 . 1 1 60 60 HIS CB C 60 29.157 29.157 30.284 -1.127 18226 330 1 1 . 1 1 60 60 HIS H H 60 8.547 8.547 7.766 0.781 18226 331 1 1 . 1 1 61 61 HIS N N 61 120.017 120.017 120.204 -0.187 18226 332 1 1 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.919 -0.252 18226 333 1 1 . 1 1 61 61 HIS C C 61 173.994 173.994 174.867 -0.873 18226 334 1 1 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.871 -0.438 18226 335 1 1 . 1 1 61 61 HIS CB C 61 29.201 29.201 31.019 -1.818 18226 336 1 1 . 1 1 61 61 HIS H H 61 8.662 8.662 8.357 0.305 18226 337 1 1 . 1 1 62 62 HIS N N 62 120.463 120.463 125.826 -5.363 18226 338 1 1 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.722 -0.065 18226 339 1 1 . 1 1 62 62 HIS C C 62 173.939 173.939 175.445 -1.506 18226 340 1 1 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.634 -0.258 18226 341 1 1 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.306 -1.015 18226 342 1 1 . 1 1 62 62 HIS H H 62 8.729 8.729 8.609 0.120 18226 343 1 1 . 1 1 63 63 HIS N N 63 120.370 120.370 120.012 0.358 18226 344 1 1 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.295 0.363 18226 345 1 1 . 1 1 63 63 HIS C C 63 173.564 173.564 174.634 -1.070 18226 346 1 1 . 1 1 63 63 HIS CA C 63 55.608 55.608 56.027 -0.419 18226 347 1 1 . 1 1 63 63 HIS CB C 63 29.365 29.365 28.360 1.005 18226 348 1 1 . 1 1 63 63 HIS H H 63 8.619 8.619 8.859 -0.240 18226 349 1 2 . 1 1 2 2 GLU N N 2 123.545 123.545 120.751 2.794 18226 350 1 2 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.569 -0.183 18226 351 1 2 . 1 1 2 2 GLU C C 2 175.742 175.742 175.997 -0.255 18226 352 1 2 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.289 0.074 18226 353 1 2 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.506 -0.751 18226 354 1 2 . 1 1 2 2 GLU H H 2 8.765 8.765 8.889 -0.124 18226 355 1 2 . 1 1 3 3 GLU N N 3 122.227 122.227 118.346 3.881 18226 356 1 2 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.511 -0.178 18226 357 1 2 . 1 1 3 3 GLU C C 3 176.636 176.636 175.591 1.045 18226 358 1 2 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.655 -0.167 18226 359 1 2 . 1 1 3 3 GLU CB C 3 29.757 29.757 31.395 -1.638 18226 360 1 2 . 1 1 3 3 GLU H H 3 8.550 8.550 8.734 -0.184 18226 361 1 2 . 1 1 4 4 GLY N N 4 110.108 110.108 111.870 -1.762 18226 362 1 2 . 1 1 4 4 GLY C C 4 174.548 174.548 173.475 1.073 18226 363 1 2 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.754 0.721 18226 364 1 2 . 1 1 4 4 GLY H H 4 8.453 8.453 8.237 0.216 18226 365 1 2 . 1 1 5 5 GLY N N 5 108.466 108.466 108.406 0.060 18226 366 1 2 . 1 1 5 5 GLY C C 5 173.790 173.790 173.062 0.728 18226 367 1 2 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.180 1.184 18226 368 1 2 . 1 1 5 5 GLY H H 5 8.168 8.168 8.094 0.074 18226 369 1 2 . 1 1 6 6 ASP N N 6 119.764 119.764 121.538 -1.774 18226 370 1 2 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.372 0.211 18226 371 1 2 . 1 1 6 6 ASP C C 6 175.811 175.811 175.754 0.057 18226 372 1 2 . 1 1 6 6 ASP CA C 6 53.992 53.992 53.908 0.084 18226 373 1 2 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.065 -0.808 18226 374 1 2 . 1 1 6 6 ASP H H 6 8.187 8.187 7.505 0.682 18226 375 1 2 . 1 1 7 7 PHE N N 7 119.941 119.941 117.648 2.293 18226 376 1 2 . 1 1 7 7 PHE HA H 7 4.566 4.566 3.938 0.628 18226 377 1 2 . 1 1 7 7 PHE C C 7 175.636 175.636 174.392 1.244 18226 378 1 2 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.547 -0.476 18226 379 1 2 . 1 1 7 7 PHE CB C 7 39.319 39.319 36.104 3.215 18226 380 1 2 . 1 1 7 7 PHE H H 7 8.103 8.103 7.620 0.483 18226 381 1 2 . 1 1 8 8 ASP N N 8 120.418 120.418 119.575 0.843 18226 382 1 2 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.900 -0.363 18226 383 1 2 . 1 1 8 8 ASP C C 8 175.548 175.548 175.014 0.534 18226 384 1 2 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.202 0.171 18226 385 1 2 . 1 1 8 8 ASP CB C 8 40.386 40.386 42.441 -2.055 18226 386 1 2 . 1 1 8 8 ASP H H 8 8.177 8.177 8.392 -0.215 18226 387 1 2 . 1 1 9 9 ASN N N 9 118.260 118.260 118.675 -0.415 18226 388 1 2 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.816 -0.229 18226 389 1 2 . 1 1 9 9 ASN C C 9 174.782 174.782 173.793 0.989 18226 390 1 2 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.064 0.333 18226 391 1 2 . 1 1 9 9 ASN CB C 9 38.762 38.762 40.207 -1.445 18226 392 1 2 . 1 1 9 9 ASN H H 9 8.057 8.057 8.273 -0.216 18226 393 1 2 . 1 1 10 10 TYR N N 10 120.145 120.145 118.122 2.023 18226 394 1 2 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.243 0.196 18226 395 1 2 . 1 1 10 10 TYR C C 10 175.520 175.520 174.150 1.370 18226 396 1 2 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.542 -1.173 18226 397 1 2 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.435 1.313 18226 398 1 2 . 1 1 10 10 TYR H H 10 7.951 7.951 8.697 -0.746 18226 399 1 2 . 1 1 11 11 TYR N N 11 121.223 121.223 120.004 1.219 18226 400 1 2 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.539 -0.040 18226 401 1 2 . 1 1 11 11 TYR C C 11 175.974 175.974 175.947 0.027 18226 402 1 2 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.205 -0.131 18226 403 1 2 . 1 1 11 11 TYR CB C 11 38.671 38.671 36.893 1.778 18226 404 1 2 . 1 1 11 11 TYR H H 11 7.971 7.971 7.949 0.022 18226 405 1 2 . 1 1 12 12 GLY N N 12 109.861 109.861 111.125 -1.264 18226 406 1 2 . 1 1 12 12 GLY C C 12 173.775 173.775 173.307 0.468 18226 407 1 2 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.535 -0.155 18226 408 1 2 . 1 1 12 12 GLY H H 12 7.769 7.769 7.818 -0.049 18226 409 1 2 . 1 1 13 13 ALA N N 13 123.378 123.378 122.463 0.915 18226 410 1 2 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.133 0.169 18226 411 1 2 . 1 1 13 13 ALA C C 13 177.509 177.509 175.803 1.706 18226 412 1 2 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.483 0.144 18226 413 1 2 . 1 1 13 13 ALA CB C 13 19.444 19.444 18.811 0.633 18226 414 1 2 . 1 1 13 13 ALA H H 13 7.975 7.975 7.534 0.441 18226 415 1 2 . 1 1 14 14 ASP N N 14 118.494 118.494 117.087 1.407 18226 416 1 2 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.284 0.350 18226 417 1 2 . 1 1 14 14 ASP C C 14 175.747 175.747 175.784 -0.037 18226 418 1 2 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.817 -0.815 18226 419 1 2 . 1 1 14 14 ASP CB C 14 40.162 40.162 39.836 0.326 18226 420 1 2 . 1 1 14 14 ASP H H 14 8.307 8.307 8.376 -0.069 18226 421 1 2 . 1 1 15 15 ASN N N 15 118.834 118.834 115.812 3.022 18226 422 1 2 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.464 0.198 18226 423 1 2 . 1 1 15 15 ASN C C 15 175.258 175.258 176.127 -0.869 18226 424 1 2 . 1 1 15 15 ASN CA C 15 53.515 53.515 54.542 -1.027 18226 425 1 2 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.338 0.419 18226 426 1 2 . 1 1 15 15 ASN H H 15 8.221 8.221 8.358 -0.137 18226 427 1 2 . 1 1 16 16 GLN N N 16 120.413 120.413 118.831 1.582 18226 428 1 2 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.373 -0.018 18226 429 1 2 . 1 1 16 16 GLN C C 16 176.096 176.096 175.237 0.859 18226 430 1 2 . 1 1 16 16 GLN CA C 16 56.240 56.240 56.300 -0.060 18226 431 1 2 . 1 1 16 16 GLN CB C 16 29.370 29.370 26.593 2.777 18226 432 1 2 . 1 1 16 16 GLN H H 16 8.295 8.295 8.448 -0.153 18226 433 1 2 . 1 1 17 17 SER N N 17 116.692 116.692 115.463 1.229 18226 434 1 2 . 1 1 17 17 SER HA H 17 4.428 4.428 4.567 -0.139 18226 435 1 2 . 1 1 17 17 SER C C 17 174.523 174.523 175.027 -0.504 18226 436 1 2 . 1 1 17 17 SER CA C 17 58.683 58.683 58.197 0.486 18226 437 1 2 . 1 1 17 17 SER CB C 17 63.794 63.794 64.883 -1.089 18226 438 1 2 . 1 1 17 17 SER H H 17 8.267 8.267 8.133 0.134 18226 439 1 2 . 1 1 18 18 GLU N N 18 122.142 122.142 122.210 -0.068 18226 440 1 2 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.018 0.345 18226 441 1 2 . 1 1 18 18 GLU C C 18 175.937 175.937 175.200 0.737 18226 442 1 2 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.889 -1.584 18226 443 1 2 . 1 1 18 18 GLU CB C 18 29.506 29.506 30.074 -0.568 18226 444 1 2 . 1 1 18 18 GLU H H 18 8.330 8.330 8.521 -0.191 18226 445 1 2 . 1 1 19 19 CYS N N 19 120.077 120.077 115.811 4.266 18226 446 1 2 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.357 0.075 18226 447 1 2 . 1 1 19 19 CYS C C 19 174.442 174.442 175.410 -0.968 18226 448 1 2 . 1 1 19 19 CYS CA C 19 58.613 58.613 59.804 -1.191 18226 449 1 2 . 1 1 19 19 CYS CB C 19 27.999 27.999 27.102 0.897 18226 450 1 2 . 1 1 19 19 CYS H H 19 8.276 8.276 8.342 -0.066 18226 451 1 2 . 1 1 20 20 GLU N N 20 123.369 123.369 118.664 4.705 18226 452 1 2 . 1 1 20 20 GLU HA H 20 4.303 4.303 3.088 1.215 18226 453 1 2 . 1 1 20 20 GLU C C 20 175.858 175.858 177.186 -1.328 18226 454 1 2 . 1 1 20 20 GLU CA C 20 56.457 56.457 58.619 -2.162 18226 455 1 2 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.252 -0.102 18226 456 1 2 . 1 1 20 20 GLU H H 20 8.400 8.400 8.524 -0.124 18226 457 1 2 . 1 1 21 21 TYR N N 21 119.980 119.980 117.972 2.008 18226 458 1 2 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.248 0.296 18226 459 1 2 . 1 1 21 21 TYR C C 21 175.669 175.669 177.091 -1.422 18226 460 1 2 . 1 1 21 21 TYR CA C 21 58.103 58.103 61.106 -3.003 18226 461 1 2 . 1 1 21 21 TYR CB C 21 38.677 38.677 38.854 -0.177 18226 462 1 2 . 1 1 21 21 TYR H H 21 7.991 7.991 8.085 -0.094 18226 463 1 2 . 1 1 22 22 THR N N 22 113.984 113.984 107.844 6.140 18226 464 1 2 . 1 1 22 22 THR HA H 22 4.164 4.164 4.669 -0.505 18226 465 1 2 . 1 1 22 22 THR C C 22 174.259 174.259 172.957 1.302 18226 466 1 2 . 1 1 22 22 THR CA C 22 62.381 62.381 62.199 0.182 18226 467 1 2 . 1 1 22 22 THR CB C 22 69.551 69.551 69.391 0.160 18226 468 1 2 . 1 1 22 22 THR H H 22 7.821 7.821 8.246 -0.425 18226 469 1 2 . 1 1 23 23 ASP N N 23 121.930 121.930 121.730 0.200 18226 470 1 2 . 1 1 23 23 ASP HA H 23 4.671 4.671 5.044 -0.373 18226 471 1 2 . 1 1 23 23 ASP C C 23 176.164 176.164 175.769 0.395 18226 472 1 2 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.716 -1.035 18226 473 1 2 . 1 1 23 23 ASP CB C 23 39.606 39.606 42.656 -3.050 18226 474 1 2 . 1 1 23 23 ASP H H 23 8.106 8.106 8.063 0.043 18226 475 1 2 . 1 1 24 24 TRP N N 24 121.947 121.947 118.997 2.950 18226 476 1 2 . 1 1 24 24 TRP HA H 24 4.482 4.482 5.009 -0.527 18226 477 1 2 . 1 1 24 24 TRP C C 24 176.496 176.496 174.993 1.503 18226 478 1 2 . 1 1 24 24 TRP CA C 24 58.238 58.238 56.978 1.260 18226 479 1 2 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.329 -0.140 18226 480 1 2 . 1 1 24 24 TRP H H 24 7.991 7.991 7.771 0.220 18226 481 1 2 . 1 1 25 25 LYS N N 25 119.673 119.673 115.417 4.256 18226 482 1 2 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.193 -0.204 18226 483 1 2 . 1 1 25 25 LYS C C 25 176.770 176.770 175.180 1.590 18226 484 1 2 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.790 1.677 18226 485 1 2 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.306 0.647 18226 486 1 2 . 1 1 25 25 LYS H H 25 7.588 7.588 7.239 0.349 18226 487 1 2 . 1 1 26 26 SER N N 26 114.157 114.157 115.108 -0.951 18226 488 1 2 . 1 1 26 26 SER HA H 26 4.462 4.462 4.473 -0.011 18226 489 1 2 . 1 1 26 26 SER C C 26 175.126 175.126 174.921 0.205 18226 490 1 2 . 1 1 26 26 SER CA C 26 58.673 58.673 58.184 0.489 18226 491 1 2 . 1 1 26 26 SER CB C 26 63.801 63.801 63.703 0.098 18226 492 1 2 . 1 1 26 26 SER H H 26 7.823 7.823 7.682 0.141 18226 493 1 2 . 1 1 27 27 SER N N 27 117.353 117.353 119.906 -2.553 18226 494 1 2 . 1 1 27 27 SER HA H 27 4.288 4.288 4.432 -0.144 18226 495 1 2 . 1 1 27 27 SER C C 27 175.598 175.598 174.345 1.253 18226 496 1 2 . 1 1 27 27 SER CA C 27 60.216 60.216 59.495 0.722 18226 497 1 2 . 1 1 27 27 SER CB C 27 63.684 63.684 62.156 1.528 18226 498 1 2 . 1 1 27 27 SER H H 27 8.178 8.178 8.514 -0.336 18226 499 1 2 . 1 1 28 28 GLY N N 28 110.249 110.249 107.573 2.676 18226 500 1 2 . 1 1 28 28 GLY C C 28 174.667 174.667 172.777 1.890 18226 501 1 2 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.985 0.291 18226 502 1 2 . 1 1 28 28 GLY H H 28 8.359 8.359 8.153 0.206 18226 503 1 2 . 1 1 29 29 ALA N N 29 121.959 121.959 121.788 0.171 18226 504 1 2 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.674 -0.346 18226 505 1 2 . 1 1 29 29 ALA C C 29 177.873 177.873 176.332 1.541 18226 506 1 2 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.293 -0.032 18226 507 1 2 . 1 1 29 29 ALA CB C 29 19.637 19.637 20.090 -0.453 18226 508 1 2 . 1 1 29 29 ALA H H 29 7.931 7.931 7.675 0.256 18226 509 1 2 . 1 1 30 30 LEU N N 30 117.460 117.460 113.866 3.594 18226 510 1 2 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.554 -0.346 18226 511 1 2 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.803 1.589 18226 512 1 2 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.800 -0.195 18226 513 1 2 . 1 1 30 30 LEU H H 30 7.924 7.924 7.753 0.171 18226 514 1 2 . 1 1 31 31 ILE N N 31 117.379 117.379 120.071 -2.692 18226 515 1 2 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.333 -0.410 18226 516 1 2 . 1 1 31 31 ILE CA C 31 66.011 66.011 62.340 3.671 18226 517 1 2 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.093 0.130 18226 518 1 2 . 1 1 31 31 ILE H H 31 8.100 8.100 8.288 -0.188 18226 519 1 2 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.612 -0.294 18226 520 1 2 . 1 1 32 32 PRO C C 32 178.706 178.706 176.368 2.338 18226 521 1 2 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.352 2.679 18226 522 1 2 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.816 0.451 18226 523 1 2 . 1 1 33 33 ALA N N 33 119.040 119.040 119.849 -0.809 18226 524 1 2 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.415 -0.220 18226 525 1 2 . 1 1 33 33 ALA C C 33 179.052 179.052 177.432 1.620 18226 526 1 2 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.958 2.435 18226 527 1 2 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.271 -0.740 18226 528 1 2 . 1 1 33 33 ALA H H 33 7.462 7.462 8.028 -0.566 18226 529 1 2 . 1 1 34 34 ILE N N 34 118.037 118.037 112.791 5.246 18226 530 1 2 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.265 -0.543 18226 531 1 2 . 1 1 34 34 ILE C C 34 177.827 177.827 176.566 1.261 18226 532 1 2 . 1 1 34 34 ILE CA C 34 65.023 65.023 61.851 3.172 18226 533 1 2 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.807 -2.466 18226 534 1 2 . 1 1 34 34 ILE H H 34 8.176 8.176 7.364 0.812 18226 535 1 2 . 1 1 35 35 TYR N N 35 118.783 118.783 120.310 -1.527 18226 536 1 2 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.559 -0.414 18226 537 1 2 . 1 1 35 35 TYR C C 35 178.062 178.062 175.941 2.121 18226 538 1 2 . 1 1 35 35 TYR CA C 35 61.548 61.548 59.989 1.559 18226 539 1 2 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.961 -0.219 18226 540 1 2 . 1 1 35 35 TYR H H 35 8.306 8.306 7.957 0.349 18226 541 1 2 . 1 1 36 36 MET N N 36 118.068 118.068 117.799 0.269 18226 542 1 2 . 1 1 36 36 MET HA H 36 4.317 4.317 4.542 -0.225 18226 543 1 2 . 1 1 36 36 MET C C 36 178.183 178.183 176.398 1.785 18226 544 1 2 . 1 1 36 36 MET CA C 36 58.533 58.533 56.357 2.176 18226 545 1 2 . 1 1 36 36 MET CB C 36 32.288 32.288 32.818 -0.530 18226 546 1 2 . 1 1 36 36 MET H H 36 8.090 8.090 8.022 0.068 18226 547 1 2 . 1 1 37 37 LEU N N 37 120.316 120.316 121.361 -1.045 18226 548 1 2 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.213 -0.098 18226 549 1 2 . 1 1 37 37 LEU C C 37 178.353 178.353 177.251 1.102 18226 550 1 2 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.834 1.496 18226 551 1 2 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.203 0.711 18226 552 1 2 . 1 1 37 37 LEU H H 37 8.106 8.106 8.081 0.025 18226 553 1 2 . 1 1 38 38 VAL N N 38 118.385 118.385 116.239 2.146 18226 554 1 2 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.025 -0.496 18226 555 1 2 . 1 1 38 38 VAL C C 38 178.216 178.216 176.770 1.446 18226 556 1 2 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.050 3.992 18226 557 1 2 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.855 -1.230 18226 558 1 2 . 1 1 38 38 VAL H H 38 8.305 8.305 7.286 1.019 18226 559 1 2 . 1 1 39 39 PHE N N 39 120.216 120.216 122.622 -2.406 18226 560 1 2 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.323 -0.062 18226 561 1 2 . 1 1 39 39 PHE C C 39 178.597 178.597 174.799 3.798 18226 562 1 2 . 1 1 39 39 PHE CA C 39 61.320 61.320 60.015 1.305 18226 563 1 2 . 1 1 39 39 PHE CB C 39 38.889 38.889 38.785 0.104 18226 564 1 2 . 1 1 39 39 PHE H H 39 8.196 8.196 8.314 -0.118 18226 565 1 2 . 1 1 40 40 LEU N N 40 120.772 120.772 113.137 7.635 18226 566 1 2 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.444 -0.394 18226 567 1 2 . 1 1 40 40 LEU C C 40 179.666 179.666 175.060 4.606 18226 568 1 2 . 1 1 40 40 LEU CA C 40 57.906 57.906 55.303 2.603 18226 569 1 2 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.374 0.966 18226 570 1 2 . 1 1 40 40 LEU H H 40 8.452 8.452 7.468 0.984 18226 571 1 2 . 1 1 41 41 LEU N N 41 119.185 119.185 118.795 0.390 18226 572 1 2 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.585 -0.486 18226 573 1 2 . 1 1 41 41 LEU C C 41 178.878 178.878 177.194 1.684 18226 574 1 2 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.213 2.173 18226 575 1 2 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.940 -2.085 18226 576 1 2 . 1 1 41 41 LEU H H 41 8.435 8.435 7.352 1.083 18226 577 1 2 . 1 1 42 42 GLY N N 42 105.718 105.718 105.569 0.149 18226 578 1 2 . 1 1 42 42 GLY C C 42 174.908 174.908 174.100 0.808 18226 579 1 2 . 1 1 42 42 GLY CA C 42 46.642 46.642 45.386 1.256 18226 580 1 2 . 1 1 42 42 GLY H H 42 8.208 8.208 7.739 0.469 18226 581 1 2 . 1 1 43 43 THR N N 43 111.959 111.959 112.962 -1.003 18226 582 1 2 . 1 1 43 43 THR HA H 43 4.348 4.348 4.320 0.028 18226 583 1 2 . 1 1 43 43 THR C C 43 175.665 175.665 175.463 0.202 18226 584 1 2 . 1 1 43 43 THR CA C 43 63.097 63.097 63.017 0.080 18226 585 1 2 . 1 1 43 43 THR CB C 43 69.867 69.867 69.103 0.764 18226 586 1 2 . 1 1 43 43 THR H H 43 7.789 7.789 7.609 0.180 18226 587 1 2 . 1 1 44 44 THR N N 44 113.271 113.271 118.222 -4.951 18226 588 1 2 . 1 1 44 44 THR HA H 44 4.308 4.308 4.212 0.096 18226 589 1 2 . 1 1 44 44 THR C C 44 175.754 175.754 175.636 0.118 18226 590 1 2 . 1 1 44 44 THR CA C 44 63.194 63.194 62.349 0.845 18226 591 1 2 . 1 1 44 44 THR CB C 44 70.171 70.171 67.952 2.219 18226 592 1 2 . 1 1 44 44 THR H H 44 7.833 7.833 8.294 -0.461 18226 593 1 2 . 1 1 45 45 GLY N N 45 109.879 109.879 110.301 -0.422 18226 594 1 2 . 1 1 45 45 GLY C C 45 175.221 175.221 174.355 0.866 18226 595 1 2 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.302 1.237 18226 596 1 2 . 1 1 45 45 GLY H H 45 8.259 8.259 8.388 -0.129 18226 597 1 2 . 1 1 46 46 ASN N N 46 117.998 117.998 116.465 1.533 18226 598 1 2 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.787 -0.175 18226 599 1 2 . 1 1 46 46 ASN C C 46 176.215 176.215 175.930 0.285 18226 600 1 2 . 1 1 46 46 ASN CA C 46 54.840 54.840 52.873 1.968 18226 601 1 2 . 1 1 46 46 ASN CB C 46 38.566 38.566 39.647 -1.081 18226 602 1 2 . 1 1 46 46 ASN H H 46 8.235 8.235 8.380 -0.145 18226 603 1 2 . 1 1 47 47 GLY N N 47 106.990 106.990 109.068 -2.078 18226 604 1 2 . 1 1 47 47 GLY C C 47 174.659 174.659 174.670 -0.011 18226 605 1 2 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.828 1.151 18226 606 1 2 . 1 1 47 47 GLY H H 47 8.425 8.425 8.314 0.111 18226 607 1 2 . 1 1 48 48 LEU N N 48 120.699 120.699 119.616 1.083 18226 608 1 2 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.748 -0.448 18226 609 1 2 . 1 1 48 48 LEU C C 48 179.482 179.482 176.379 3.103 18226 610 1 2 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.599 1.846 18226 611 1 2 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.373 -0.807 18226 612 1 2 . 1 1 48 48 LEU H H 48 7.956 7.956 7.998 -0.042 18226 613 1 2 . 1 1 49 49 VAL N N 49 120.101 120.101 117.586 2.515 18226 614 1 2 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.066 -0.187 18226 615 1 2 . 1 1 49 49 VAL C C 49 177.535 177.535 176.180 1.355 18226 616 1 2 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.231 2.631 18226 617 1 2 . 1 1 49 49 VAL CB C 49 31.779 31.779 34.010 -2.231 18226 618 1 2 . 1 1 49 49 VAL H H 49 7.919 7.919 7.935 -0.016 18226 619 1 2 . 1 1 50 50 LEU N N 50 119.268 119.268 121.238 -1.970 18226 620 1 2 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.485 -0.442 18226 621 1 2 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.144 0.701 18226 622 1 2 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.628 -0.751 18226 623 1 2 . 1 1 50 50 LEU H H 50 7.731 7.731 7.807 -0.076 18226 624 1 2 . 1 1 51 51 TRP N N 51 118.033 118.033 121.243 -3.210 18226 625 1 2 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.298 0.294 18226 626 1 2 . 1 1 51 51 TRP C C 51 177.302 177.302 178.460 -1.158 18226 627 1 2 . 1 1 51 51 TRP CA C 51 59.789 59.789 60.443 -0.654 18226 628 1 2 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.299 0.908 18226 629 1 2 . 1 1 51 51 TRP H H 51 8.070 8.070 7.840 0.230 18226 630 1 2 . 1 1 52 52 THR N N 52 113.014 113.014 115.941 -2.927 18226 631 1 2 . 1 1 52 52 THR HA H 52 3.746 3.746 3.887 -0.141 18226 632 1 2 . 1 1 52 52 THR C C 52 176.361 176.361 176.066 0.295 18226 633 1 2 . 1 1 52 52 THR CA C 52 66.443 66.443 65.858 0.585 18226 634 1 2 . 1 1 52 52 THR CB C 52 69.017 69.017 68.342 0.675 18226 635 1 2 . 1 1 52 52 THR H H 52 8.101 8.101 7.741 0.360 18226 636 1 2 . 1 1 53 53 VAL N N 53 120.231 120.231 120.071 0.160 18226 637 1 2 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.750 -0.072 18226 638 1 2 . 1 1 53 53 VAL C C 53 177.482 177.482 176.715 0.767 18226 639 1 2 . 1 1 53 53 VAL CA C 53 66.158 66.158 65.520 0.637 18226 640 1 2 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.305 0.463 18226 641 1 2 . 1 1 53 53 VAL H H 53 7.905 7.905 8.348 -0.443 18226 642 1 2 . 1 1 54 54 PHE N N 54 118.609 118.609 116.317 2.292 18226 643 1 2 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.463 -0.230 18226 644 1 2 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.074 2.592 18226 645 1 2 . 1 1 54 54 PHE CB C 54 39.258 39.258 39.402 -0.144 18226 646 1 2 . 1 1 54 54 PHE H H 54 8.025 8.025 7.316 0.709 18226 647 1 2 . 1 1 55 55 ARG N N 55 117.305 117.305 119.576 -2.271 18226 648 1 2 . 1 1 55 55 ARG HA H 55 3.808 3.808 3.997 -0.189 18226 649 1 2 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.906 -0.196 18226 650 1 2 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.049 -1.386 18226 651 1 2 . 1 1 55 55 ARG H H 55 8.025 8.025 7.642 0.383 18226 652 1 2 . 1 1 56 56 LYS N N 56 118.321 118.321 119.847 -1.526 18226 653 1 2 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.026 0.144 18226 654 1 2 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.668 -1.228 18226 655 1 2 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.680 1.249 18226 656 1 2 . 1 1 56 56 LYS H H 56 7.717 7.717 8.045 -0.328 18226 657 1 2 . 1 1 57 57 LYS N N 57 118.349 118.349 117.474 0.875 18226 658 1 2 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.060 0.229 18226 659 1 2 . 1 1 57 57 LYS C C 57 176.891 176.891 176.689 0.202 18226 660 1 2 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.174 -0.801 18226 661 1 2 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.679 0.185 18226 662 1 2 . 1 1 57 57 LYS H H 57 7.872 7.872 8.037 -0.165 18226 663 1 2 . 1 1 58 58 GLY N N 58 107.442 107.442 105.800 1.642 18226 664 1 2 . 1 1 58 58 GLY C C 58 173.263 173.263 173.770 -0.507 18226 665 1 2 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.276 1.282 18226 666 1 2 . 1 1 58 58 GLY H H 58 8.060 8.060 7.350 0.710 18226 667 1 2 . 1 1 59 59 HIS N N 59 116.928 116.928 122.648 -5.720 18226 668 1 2 . 1 1 59 59 HIS HA H 59 4.668 4.668 3.930 0.738 18226 669 1 2 . 1 1 59 59 HIS C C 59 173.935 173.935 174.130 -0.195 18226 670 1 2 . 1 1 59 59 HIS CA C 59 55.085 55.085 57.306 -2.221 18226 671 1 2 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.711 -0.488 18226 672 1 2 . 1 1 59 59 HIS H H 59 8.076 8.076 8.398 -0.322 18226 673 1 2 . 1 1 60 60 HIS N N 60 119.187 119.187 115.063 4.124 18226 674 1 2 . 1 1 60 60 HIS HA H 60 4.671 4.671 3.627 1.044 18226 675 1 2 . 1 1 60 60 HIS C C 60 173.926 173.926 174.432 -0.506 18226 676 1 2 . 1 1 60 60 HIS CA C 60 55.429 55.429 54.602 0.827 18226 677 1 2 . 1 1 60 60 HIS CB C 60 29.157 29.157 27.958 1.199 18226 678 1 2 . 1 1 60 60 HIS H H 60 8.547 8.547 6.787 1.760 18226 679 1 2 . 1 1 61 61 HIS N N 61 120.017 120.017 116.284 3.733 18226 680 1 2 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.327 0.340 18226 681 1 2 . 1 1 61 61 HIS C C 61 173.994 173.994 174.894 -0.900 18226 682 1 2 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.778 -1.345 18226 683 1 2 . 1 1 61 61 HIS CB C 61 29.201 29.201 26.997 2.204 18226 684 1 2 . 1 1 61 61 HIS H H 61 8.662 8.662 7.608 1.054 18226 685 1 2 . 1 1 62 62 HIS N N 62 120.463 120.463 125.979 -5.516 18226 686 1 2 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.673 -0.016 18226 687 1 2 . 1 1 62 62 HIS C C 62 173.939 173.939 174.161 -0.222 18226 688 1 2 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.387 -0.011 18226 689 1 2 . 1 1 62 62 HIS CB C 62 29.291 29.291 29.106 0.185 18226 690 1 2 . 1 1 62 62 HIS H H 62 8.729 8.729 8.853 -0.124 18226 691 1 2 . 1 1 63 63 HIS N N 63 120.370 120.370 119.849 0.521 18226 692 1 2 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.864 -0.206 18226 693 1 2 . 1 1 63 63 HIS C C 63 173.564 173.564 173.972 -0.408 18226 694 1 2 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.715 -0.107 18226 695 1 2 . 1 1 63 63 HIS CB C 63 29.365 29.365 30.643 -1.278 18226 696 1 2 . 1 1 63 63 HIS H H 63 8.619 8.619 8.093 0.526 18226 697 1 3 . 1 1 2 2 GLU N N 2 123.545 123.545 120.448 3.097 18226 698 1 3 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.581 -0.195 18226 699 1 3 . 1 1 2 2 GLU C C 2 175.742 175.742 176.119 -0.377 18226 700 1 3 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.642 -0.279 18226 701 1 3 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.153 -0.398 18226 702 1 3 . 1 1 2 2 GLU H H 2 8.765 8.765 8.486 0.279 18226 703 1 3 . 1 1 3 3 GLU N N 3 122.227 122.227 120.485 1.742 18226 704 1 3 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.408 -0.075 18226 705 1 3 . 1 1 3 3 GLU C C 3 176.636 176.636 176.947 -0.311 18226 706 1 3 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.760 -0.272 18226 707 1 3 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.170 -0.413 18226 708 1 3 . 1 1 3 3 GLU H H 3 8.550 8.550 8.314 0.236 18226 709 1 3 . 1 1 4 4 GLY N N 4 110.108 110.108 108.722 1.386 18226 710 1 3 . 1 1 4 4 GLY C C 4 174.548 174.548 173.358 1.190 18226 711 1 3 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.821 0.654 18226 712 1 3 . 1 1 4 4 GLY H H 4 8.453 8.453 7.965 0.488 18226 713 1 3 . 1 1 5 5 GLY N N 5 108.466 108.466 109.539 -1.073 18226 714 1 3 . 1 1 5 5 GLY C C 5 173.790 173.790 174.283 -0.493 18226 715 1 3 . 1 1 5 5 GLY CA C 5 45.364 45.364 46.288 -0.924 18226 716 1 3 . 1 1 5 5 GLY H H 5 8.168 8.168 8.506 -0.338 18226 717 1 3 . 1 1 6 6 ASP N N 6 119.764 119.764 120.940 -1.176 18226 718 1 3 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.010 0.573 18226 719 1 3 . 1 1 6 6 ASP C C 6 175.811 175.811 173.482 2.329 18226 720 1 3 . 1 1 6 6 ASP CA C 6 53.992 53.992 55.093 -1.101 18226 721 1 3 . 1 1 6 6 ASP CB C 6 40.257 40.257 39.716 0.541 18226 722 1 3 . 1 1 6 6 ASP H H 6 8.187 8.187 8.240 -0.053 18226 723 1 3 . 1 1 7 7 PHE N N 7 119.941 119.941 115.848 4.093 18226 724 1 3 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.386 0.180 18226 725 1 3 . 1 1 7 7 PHE C C 7 175.636 175.636 174.466 1.170 18226 726 1 3 . 1 1 7 7 PHE CA C 7 58.071 58.071 57.248 0.823 18226 727 1 3 . 1 1 7 7 PHE CB C 7 39.319 39.319 39.979 -0.660 18226 728 1 3 . 1 1 7 7 PHE H H 7 8.103 8.103 8.137 -0.034 18226 729 1 3 . 1 1 8 8 ASP N N 8 120.418 120.418 117.933 2.485 18226 730 1 3 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.801 -0.264 18226 731 1 3 . 1 1 8 8 ASP C C 8 175.548 175.548 174.924 0.624 18226 732 1 3 . 1 1 8 8 ASP CA C 8 54.373 54.373 53.109 1.264 18226 733 1 3 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.523 -0.137 18226 734 1 3 . 1 1 8 8 ASP H H 8 8.177 8.177 8.413 -0.236 18226 735 1 3 . 1 1 9 9 ASN N N 9 118.260 118.260 119.128 -0.868 18226 736 1 3 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.744 -0.157 18226 737 1 3 . 1 1 9 9 ASN C C 9 174.782 174.782 175.297 -0.515 18226 738 1 3 . 1 1 9 9 ASN CA C 9 53.397 53.397 52.801 0.596 18226 739 1 3 . 1 1 9 9 ASN CB C 9 38.762 38.762 38.904 -0.142 18226 740 1 3 . 1 1 9 9 ASN H H 9 8.057 8.057 8.055 0.002 18226 741 1 3 . 1 1 10 10 TYR N N 10 120.145 120.145 122.359 -2.214 18226 742 1 3 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.262 0.177 18226 743 1 3 . 1 1 10 10 TYR C C 10 175.520 175.520 175.940 -0.420 18226 744 1 3 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.666 -1.297 18226 745 1 3 . 1 1 10 10 TYR CB C 10 38.749 38.749 38.286 0.463 18226 746 1 3 . 1 1 10 10 TYR H H 10 7.951 7.951 8.731 -0.780 18226 747 1 3 . 1 1 11 11 TYR N N 11 121.223 121.223 118.485 2.738 18226 748 1 3 . 1 1 11 11 TYR HA H 11 4.499 4.499 3.885 0.614 18226 749 1 3 . 1 1 11 11 TYR C C 11 175.974 175.974 175.270 0.704 18226 750 1 3 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.708 -0.635 18226 751 1 3 . 1 1 11 11 TYR CB C 11 38.671 38.671 36.243 2.428 18226 752 1 3 . 1 1 11 11 TYR H H 11 7.971 7.971 8.188 -0.217 18226 753 1 3 . 1 1 12 12 GLY N N 12 109.861 109.861 108.423 1.438 18226 754 1 3 . 1 1 12 12 GLY C C 12 173.775 173.775 172.952 0.823 18226 755 1 3 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.962 -0.582 18226 756 1 3 . 1 1 12 12 GLY H H 12 7.769 7.769 7.908 -0.139 18226 757 1 3 . 1 1 13 13 ALA N N 13 123.378 123.378 122.583 0.795 18226 758 1 3 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.469 -0.167 18226 759 1 3 . 1 1 13 13 ALA C C 13 177.509 177.509 175.465 2.044 18226 760 1 3 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.539 0.088 18226 761 1 3 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.080 0.364 18226 762 1 3 . 1 1 13 13 ALA H H 13 7.975 7.975 7.924 0.051 18226 763 1 3 . 1 1 14 14 ASP N N 14 118.494 118.494 122.452 -3.958 18226 764 1 3 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.649 -0.015 18226 765 1 3 . 1 1 14 14 ASP C C 14 175.747 175.747 175.136 0.611 18226 766 1 3 . 1 1 14 14 ASP CA C 14 54.002 54.002 53.172 0.830 18226 767 1 3 . 1 1 14 14 ASP CB C 14 40.162 40.162 41.075 -0.913 18226 768 1 3 . 1 1 14 14 ASP H H 14 8.307 8.307 8.445 -0.138 18226 769 1 3 . 1 1 15 15 ASN N N 15 118.834 118.834 114.378 4.456 18226 770 1 3 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.597 0.065 18226 771 1 3 . 1 1 15 15 ASN C C 15 175.258 175.258 175.221 0.037 18226 772 1 3 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.793 -0.278 18226 773 1 3 . 1 1 15 15 ASN CB C 15 38.757 38.757 36.286 2.471 18226 774 1 3 . 1 1 15 15 ASN H H 15 8.221 8.221 8.355 -0.134 18226 775 1 3 . 1 1 16 16 GLN N N 16 120.413 120.413 121.970 -1.557 18226 776 1 3 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.403 -0.048 18226 777 1 3 . 1 1 16 16 GLN C C 16 176.096 176.096 175.945 0.151 18226 778 1 3 . 1 1 16 16 GLN CA C 16 56.240 56.240 55.340 0.900 18226 779 1 3 . 1 1 16 16 GLN CB C 16 29.370 29.370 26.697 2.673 18226 780 1 3 . 1 1 16 16 GLN H H 16 8.295 8.295 8.759 -0.464 18226 781 1 3 . 1 1 17 17 SER N N 17 116.692 116.692 112.852 3.840 18226 782 1 3 . 1 1 17 17 SER HA H 17 4.428 4.428 4.066 0.362 18226 783 1 3 . 1 1 17 17 SER C C 17 174.523 174.523 174.462 0.061 18226 784 1 3 . 1 1 17 17 SER CA C 17 58.683 58.683 59.247 -0.564 18226 785 1 3 . 1 1 17 17 SER CB C 17 63.794 63.794 62.814 0.980 18226 786 1 3 . 1 1 17 17 SER H H 17 8.267 8.267 8.077 0.190 18226 787 1 3 . 1 1 18 18 GLU N N 18 122.142 122.142 121.498 0.644 18226 788 1 3 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.099 0.264 18226 789 1 3 . 1 1 18 18 GLU C C 18 175.937 175.937 176.171 -0.234 18226 790 1 3 . 1 1 18 18 GLU CA C 18 56.305 56.305 58.220 -1.915 18226 791 1 3 . 1 1 18 18 GLU CB C 18 29.506 29.506 29.574 -0.068 18226 792 1 3 . 1 1 18 18 GLU H H 18 8.330 8.330 8.199 0.131 18226 793 1 3 . 1 1 19 19 CYS N N 19 120.077 120.077 113.056 7.021 18226 794 1 3 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.182 0.250 18226 795 1 3 . 1 1 19 19 CYS C C 19 174.442 174.442 173.720 0.722 18226 796 1 3 . 1 1 19 19 CYS CA C 19 58.613 58.613 59.737 -1.124 18226 797 1 3 . 1 1 19 19 CYS CB C 19 27.999 27.999 27.202 0.797 18226 798 1 3 . 1 1 19 19 CYS H H 19 8.276 8.276 8.582 -0.306 18226 799 1 3 . 1 1 20 20 GLU N N 20 123.369 123.369 120.055 3.314 18226 800 1 3 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.235 0.068 18226 801 1 3 . 1 1 20 20 GLU C C 20 175.858 175.858 176.069 -0.211 18226 802 1 3 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.350 0.107 18226 803 1 3 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.614 -0.464 18226 804 1 3 . 1 1 20 20 GLU H H 20 8.400 8.400 8.463 -0.063 18226 805 1 3 . 1 1 21 21 TYR N N 21 119.980 119.980 120.364 -0.384 18226 806 1 3 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.593 -0.049 18226 807 1 3 . 1 1 21 21 TYR C C 21 175.669 175.669 175.657 0.012 18226 808 1 3 . 1 1 21 21 TYR CA C 21 58.103 58.103 58.422 -0.320 18226 809 1 3 . 1 1 21 21 TYR CB C 21 38.677 38.677 38.184 0.493 18226 810 1 3 . 1 1 21 21 TYR H H 21 7.991 7.991 8.005 -0.014 18226 811 1 3 . 1 1 22 22 THR N N 22 113.984 113.984 111.651 2.333 18226 812 1 3 . 1 1 22 22 THR HA H 22 4.164 4.164 4.185 -0.021 18226 813 1 3 . 1 1 22 22 THR C C 22 174.259 174.259 173.601 0.658 18226 814 1 3 . 1 1 22 22 THR CA C 22 62.381 62.381 63.452 -1.071 18226 815 1 3 . 1 1 22 22 THR CB C 22 69.551 69.551 67.297 2.254 18226 816 1 3 . 1 1 22 22 THR H H 22 7.821 7.821 8.133 -0.312 18226 817 1 3 . 1 1 23 23 ASP N N 23 121.930 121.930 120.083 1.847 18226 818 1 3 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.951 -0.280 18226 819 1 3 . 1 1 23 23 ASP C C 23 176.164 176.164 176.667 -0.503 18226 820 1 3 . 1 1 23 23 ASP CA C 23 53.681 53.681 53.969 -0.289 18226 821 1 3 . 1 1 23 23 ASP CB C 23 39.606 39.606 42.273 -2.667 18226 822 1 3 . 1 1 23 23 ASP H H 23 8.106 8.106 8.682 -0.576 18226 823 1 3 . 1 1 24 24 TRP N N 24 121.947 121.947 120.139 1.808 18226 824 1 3 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.810 -0.328 18226 825 1 3 . 1 1 24 24 TRP C C 24 176.496 176.496 175.083 1.413 18226 826 1 3 . 1 1 24 24 TRP CA C 24 58.238 58.238 56.583 1.655 18226 827 1 3 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.494 -0.305 18226 828 1 3 . 1 1 24 24 TRP H H 24 7.991 7.991 8.216 -0.225 18226 829 1 3 . 1 1 25 25 LYS N N 25 119.673 119.673 117.104 2.569 18226 830 1 3 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.196 -0.207 18226 831 1 3 . 1 1 25 25 LYS C C 25 176.770 176.770 176.102 0.668 18226 832 1 3 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.699 1.768 18226 833 1 3 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.212 0.741 18226 834 1 3 . 1 1 25 25 LYS H H 25 7.588 7.588 7.433 0.155 18226 835 1 3 . 1 1 26 26 SER N N 26 114.157 114.157 115.912 -1.755 18226 836 1 3 . 1 1 26 26 SER HA H 26 4.462 4.462 4.505 -0.043 18226 837 1 3 . 1 1 26 26 SER C C 26 175.126 175.126 175.500 -0.374 18226 838 1 3 . 1 1 26 26 SER CA C 26 58.673 58.673 59.789 -1.116 18226 839 1 3 . 1 1 26 26 SER CB C 26 63.801 63.801 63.726 0.075 18226 840 1 3 . 1 1 26 26 SER H H 26 7.823 7.823 8.284 -0.461 18226 841 1 3 . 1 1 27 27 SER N N 27 117.353 117.353 117.826 -0.473 18226 842 1 3 . 1 1 27 27 SER HA H 27 4.288 4.288 4.433 -0.145 18226 843 1 3 . 1 1 27 27 SER C C 27 175.598 175.598 174.268 1.330 18226 844 1 3 . 1 1 27 27 SER CA C 27 60.216 60.216 58.862 1.354 18226 845 1 3 . 1 1 27 27 SER CB C 27 63.684 63.684 61.565 2.119 18226 846 1 3 . 1 1 27 27 SER H H 27 8.178 8.178 8.461 -0.283 18226 847 1 3 . 1 1 28 28 GLY N N 28 110.249 110.249 107.307 2.942 18226 848 1 3 . 1 1 28 28 GLY C C 28 174.667 174.667 173.336 1.331 18226 849 1 3 . 1 1 28 28 GLY CA C 28 46.276 46.276 46.056 0.220 18226 850 1 3 . 1 1 28 28 GLY H H 28 8.359 8.359 8.198 0.161 18226 851 1 3 . 1 1 29 29 ALA N N 29 121.959 121.959 121.405 0.554 18226 852 1 3 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.497 -0.169 18226 853 1 3 . 1 1 29 29 ALA C C 29 177.873 177.873 176.123 1.750 18226 854 1 3 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.322 -0.061 18226 855 1 3 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.938 -0.301 18226 856 1 3 . 1 1 29 29 ALA H H 29 7.931 7.931 7.905 0.026 18226 857 1 3 . 1 1 30 30 LEU N N 30 117.460 117.460 117.444 0.016 18226 858 1 3 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.409 -0.201 18226 859 1 3 . 1 1 30 30 LEU CA C 30 57.392 57.392 56.034 1.358 18226 860 1 3 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.683 -0.078 18226 861 1 3 . 1 1 30 30 LEU H H 30 7.924 7.924 7.896 0.028 18226 862 1 3 . 1 1 31 31 ILE N N 31 117.379 117.379 120.854 -3.475 18226 863 1 3 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.310 -0.387 18226 864 1 3 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.483 2.529 18226 865 1 3 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.319 -1.095 18226 866 1 3 . 1 1 31 31 ILE H H 31 8.100 8.100 8.239 -0.139 18226 867 1 3 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.628 -0.310 18226 868 1 3 . 1 1 32 32 PRO C C 32 178.706 178.706 176.407 2.299 18226 869 1 3 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.392 2.639 18226 870 1 3 . 1 1 32 32 PRO CB C 32 31.267 31.267 31.005 0.262 18226 871 1 3 . 1 1 33 33 ALA N N 33 119.040 119.040 119.558 -0.518 18226 872 1 3 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.434 -0.239 18226 873 1 3 . 1 1 33 33 ALA C C 33 179.052 179.052 177.234 1.818 18226 874 1 3 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.786 2.607 18226 875 1 3 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.182 -0.651 18226 876 1 3 . 1 1 33 33 ALA H H 33 7.462 7.462 7.702 -0.240 18226 877 1 3 . 1 1 34 34 ILE N N 34 118.037 118.037 114.833 3.204 18226 878 1 3 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.143 -0.421 18226 879 1 3 . 1 1 34 34 ILE C C 34 177.827 177.827 176.449 1.378 18226 880 1 3 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.185 2.838 18226 881 1 3 . 1 1 34 34 ILE CB C 34 37.341 37.341 40.248 -2.907 18226 882 1 3 . 1 1 34 34 ILE H H 34 8.176 8.176 7.378 0.798 18226 883 1 3 . 1 1 35 35 TYR N N 35 118.783 118.783 120.448 -1.665 18226 884 1 3 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.616 -0.471 18226 885 1 3 . 1 1 35 35 TYR C C 35 178.062 178.062 176.058 2.004 18226 886 1 3 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.462 1.086 18226 887 1 3 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.141 -0.399 18226 888 1 3 . 1 1 35 35 TYR H H 35 8.306 8.306 7.797 0.509 18226 889 1 3 . 1 1 36 36 MET N N 36 118.068 118.068 116.388 1.680 18226 890 1 3 . 1 1 36 36 MET HA H 36 4.317 4.317 4.621 -0.304 18226 891 1 3 . 1 1 36 36 MET C C 36 178.183 178.183 177.402 0.781 18226 892 1 3 . 1 1 36 36 MET CA C 36 58.533 58.533 56.322 2.211 18226 893 1 3 . 1 1 36 36 MET CB C 36 32.288 32.288 32.754 -0.466 18226 894 1 3 . 1 1 36 36 MET H H 36 8.090 8.090 7.842 0.248 18226 895 1 3 . 1 1 37 37 LEU N N 37 120.316 120.316 120.030 0.286 18226 896 1 3 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.152 -0.037 18226 897 1 3 . 1 1 37 37 LEU C C 37 178.353 178.353 178.151 0.202 18226 898 1 3 . 1 1 37 37 LEU CA C 37 58.330 58.330 57.384 0.946 18226 899 1 3 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.226 0.688 18226 900 1 3 . 1 1 37 37 LEU H H 37 8.106 8.106 8.410 -0.304 18226 901 1 3 . 1 1 38 38 VAL N N 38 118.385 118.385 117.333 1.052 18226 902 1 3 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.890 -0.361 18226 903 1 3 . 1 1 38 38 VAL C C 38 178.216 178.216 177.139 1.077 18226 904 1 3 . 1 1 38 38 VAL CA C 38 67.042 67.042 64.641 2.401 18226 905 1 3 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.141 -0.515 18226 906 1 3 . 1 1 38 38 VAL H H 38 8.305 8.305 7.468 0.837 18226 907 1 3 . 1 1 39 39 PHE N N 39 120.216 120.216 120.388 -0.172 18226 908 1 3 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.191 0.070 18226 909 1 3 . 1 1 39 39 PHE C C 39 178.597 178.597 176.805 1.792 18226 910 1 3 . 1 1 39 39 PHE CA C 39 61.320 61.320 61.893 -0.573 18226 911 1 3 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.514 -0.625 18226 912 1 3 . 1 1 39 39 PHE H H 39 8.196 8.196 7.910 0.286 18226 913 1 3 . 1 1 40 40 LEU N N 40 120.772 120.772 118.885 1.887 18226 914 1 3 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.490 -0.440 18226 915 1 3 . 1 1 40 40 LEU C C 40 179.666 179.666 175.510 4.156 18226 916 1 3 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.653 3.253 18226 917 1 3 . 1 1 40 40 LEU CB C 40 42.340 42.340 40.807 1.533 18226 918 1 3 . 1 1 40 40 LEU H H 40 8.452 8.452 7.843 0.609 18226 919 1 3 . 1 1 41 41 LEU N N 41 119.185 119.185 121.753 -2.568 18226 920 1 3 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.587 -0.488 18226 921 1 3 . 1 1 41 41 LEU C C 41 178.878 178.878 177.429 1.449 18226 922 1 3 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.452 1.934 18226 923 1 3 . 1 1 41 41 LEU CB C 41 41.855 41.855 44.059 -2.204 18226 924 1 3 . 1 1 41 41 LEU H H 41 8.435 8.435 7.702 0.733 18226 925 1 3 . 1 1 42 42 GLY N N 42 105.718 105.718 106.664 -0.946 18226 926 1 3 . 1 1 42 42 GLY C C 42 174.908 174.908 174.045 0.863 18226 927 1 3 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.364 0.278 18226 928 1 3 . 1 1 42 42 GLY H H 42 8.208 8.208 8.406 -0.198 18226 929 1 3 . 1 1 43 43 THR N N 43 111.959 111.959 111.707 0.252 18226 930 1 3 . 1 1 43 43 THR HA H 43 4.348 4.348 4.251 0.097 18226 931 1 3 . 1 1 43 43 THR C C 43 175.665 175.665 174.390 1.275 18226 932 1 3 . 1 1 43 43 THR CA C 43 63.097 63.097 62.064 1.033 18226 933 1 3 . 1 1 43 43 THR CB C 43 69.867 69.867 69.416 0.451 18226 934 1 3 . 1 1 43 43 THR H H 43 7.789 7.789 7.512 0.277 18226 935 1 3 . 1 1 44 44 THR N N 44 113.271 113.271 114.980 -1.709 18226 936 1 3 . 1 1 44 44 THR HA H 44 4.308 4.308 3.907 0.401 18226 937 1 3 . 1 1 44 44 THR C C 44 175.754 175.754 175.587 0.167 18226 938 1 3 . 1 1 44 44 THR CA C 44 63.194 63.194 63.644 -0.450 18226 939 1 3 . 1 1 44 44 THR CB C 44 70.171 70.171 67.841 2.330 18226 940 1 3 . 1 1 44 44 THR H H 44 7.833 7.833 8.469 -0.636 18226 941 1 3 . 1 1 45 45 GLY N N 45 109.879 109.879 108.117 1.762 18226 942 1 3 . 1 1 45 45 GLY C C 45 175.221 175.221 175.613 -0.392 18226 943 1 3 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.351 1.188 18226 944 1 3 . 1 1 45 45 GLY H H 45 8.259 8.259 8.367 -0.108 18226 945 1 3 . 1 1 46 46 ASN N N 46 117.998 117.998 121.934 -3.936 18226 946 1 3 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.704 -0.092 18226 947 1 3 . 1 1 46 46 ASN C C 46 176.215 176.215 176.965 -0.750 18226 948 1 3 . 1 1 46 46 ASN CA C 46 54.840 54.840 54.488 0.352 18226 949 1 3 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.420 0.146 18226 950 1 3 . 1 1 46 46 ASN H H 46 8.235 8.235 8.908 -0.673 18226 951 1 3 . 1 1 47 47 GLY N N 47 106.990 106.990 106.226 0.764 18226 952 1 3 . 1 1 47 47 GLY C C 47 174.659 174.659 175.016 -0.357 18226 953 1 3 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.709 1.270 18226 954 1 3 . 1 1 47 47 GLY H H 47 8.425 8.425 7.710 0.715 18226 955 1 3 . 1 1 48 48 LEU N N 48 120.699 120.699 115.567 5.132 18226 956 1 3 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.958 -0.658 18226 957 1 3 . 1 1 48 48 LEU C C 48 179.482 179.482 176.053 3.429 18226 958 1 3 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.326 2.119 18226 959 1 3 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.291 -0.725 18226 960 1 3 . 1 1 48 48 LEU H H 48 7.956 7.956 7.658 0.298 18226 961 1 3 . 1 1 49 49 VAL N N 49 120.101 120.101 118.121 1.980 18226 962 1 3 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.182 -0.303 18226 963 1 3 . 1 1 49 49 VAL C C 49 177.535 177.535 175.705 1.830 18226 964 1 3 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.812 2.050 18226 965 1 3 . 1 1 49 49 VAL CB C 49 31.779 31.779 33.475 -1.696 18226 966 1 3 . 1 1 49 49 VAL H H 49 7.919 7.919 7.531 0.388 18226 967 1 3 . 1 1 50 50 LEU N N 50 119.268 119.268 119.517 -0.249 18226 968 1 3 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.571 -0.528 18226 969 1 3 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.456 1.389 18226 970 1 3 . 1 1 50 50 LEU CB C 50 41.877 41.877 44.158 -2.281 18226 971 1 3 . 1 1 50 50 LEU H H 50 7.731 7.731 7.730 0.001 18226 972 1 3 . 1 1 51 51 TRP N N 51 118.033 118.033 121.065 -3.032 18226 973 1 3 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.368 0.224 18226 974 1 3 . 1 1 51 51 TRP C C 51 177.302 177.302 176.530 0.772 18226 975 1 3 . 1 1 51 51 TRP CA C 51 59.789 59.789 60.835 -1.046 18226 976 1 3 . 1 1 51 51 TRP CB C 51 30.207 30.207 28.941 1.266 18226 977 1 3 . 1 1 51 51 TRP H H 51 8.070 8.070 8.225 -0.155 18226 978 1 3 . 1 1 52 52 THR N N 52 113.014 113.014 113.468 -0.454 18226 979 1 3 . 1 1 52 52 THR HA H 52 3.746 3.746 3.761 -0.015 18226 980 1 3 . 1 1 52 52 THR C C 52 176.361 176.361 176.080 0.281 18226 981 1 3 . 1 1 52 52 THR CA C 52 66.443 66.443 64.753 1.690 18226 982 1 3 . 1 1 52 52 THR CB C 52 69.017 69.017 68.975 0.042 18226 983 1 3 . 1 1 52 52 THR H H 52 8.101 8.101 8.071 0.030 18226 984 1 3 . 1 1 53 53 VAL N N 53 120.231 120.231 121.727 -1.496 18226 985 1 3 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.526 0.152 18226 986 1 3 . 1 1 53 53 VAL C C 53 177.482 177.482 177.853 -0.371 18226 987 1 3 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.144 0.014 18226 988 1 3 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.626 0.141 18226 989 1 3 . 1 1 53 53 VAL H H 53 7.905 7.905 7.368 0.537 18226 990 1 3 . 1 1 54 54 PHE N N 54 118.609 118.609 116.361 2.248 18226 991 1 3 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.382 -0.149 18226 992 1 3 . 1 1 54 54 PHE CA C 54 60.666 60.666 59.212 1.454 18226 993 1 3 . 1 1 54 54 PHE CB C 54 39.258 39.258 36.308 2.950 18226 994 1 3 . 1 1 54 54 PHE H H 54 8.025 8.025 7.842 0.183 18226 995 1 3 . 1 1 55 55 ARG N N 55 117.305 117.305 120.691 -3.386 18226 996 1 3 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.421 -0.613 18226 997 1 3 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.596 0.114 18226 998 1 3 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.296 -1.633 18226 999 1 3 . 1 1 55 55 ARG H H 55 8.025 8.025 8.269 -0.244 18226 1000 1 3 . 1 1 56 56 LYS N N 56 118.321 118.321 120.382 -2.061 18226 1001 1 3 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.095 0.075 18226 1002 1 3 . 1 1 56 56 LYS CA C 56 57.440 57.440 59.028 -1.588 18226 1003 1 3 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.743 1.186 18226 1004 1 3 . 1 1 56 56 LYS H H 56 7.717 7.717 8.416 -0.699 18226 1005 1 3 . 1 1 57 57 LYS N N 57 118.349 118.349 117.509 0.840 18226 1006 1 3 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.153 0.136 18226 1007 1 3 . 1 1 57 57 LYS C C 57 176.891 176.891 177.555 -0.664 18226 1008 1 3 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.354 -0.981 18226 1009 1 3 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.820 0.044 18226 1010 1 3 . 1 1 57 57 LYS H H 57 7.872 7.872 7.537 0.335 18226 1011 1 3 . 1 1 58 58 GLY N N 58 107.442 107.442 106.297 1.145 18226 1012 1 3 . 1 1 58 58 GLY C C 58 173.263 173.263 173.448 -0.185 18226 1013 1 3 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.954 0.603 18226 1014 1 3 . 1 1 58 58 GLY H H 58 8.060 8.060 7.968 0.092 18226 1015 1 3 . 1 1 59 59 HIS N N 59 116.928 116.928 120.449 -3.521 18226 1016 1 3 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.073 0.595 18226 1017 1 3 . 1 1 59 59 HIS C C 59 173.935 173.935 174.406 -0.471 18226 1018 1 3 . 1 1 59 59 HIS CA C 59 55.085 55.085 56.675 -1.591 18226 1019 1 3 . 1 1 59 59 HIS CB C 59 29.223 29.223 27.804 1.419 18226 1020 1 3 . 1 1 59 59 HIS H H 59 8.076 8.076 8.561 -0.485 18226 1021 1 3 . 1 1 60 60 HIS N N 60 119.187 119.187 114.527 4.660 18226 1022 1 3 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.110 0.561 18226 1023 1 3 . 1 1 60 60 HIS C C 60 173.926 173.926 174.025 -0.099 18226 1024 1 3 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.991 -1.562 18226 1025 1 3 . 1 1 60 60 HIS CB C 60 29.157 29.157 27.079 2.078 18226 1026 1 3 . 1 1 60 60 HIS H H 60 8.547 8.547 8.174 0.373 18226 1027 1 3 . 1 1 61 61 HIS N N 61 120.017 120.017 114.169 5.848 18226 1028 1 3 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.069 0.598 18226 1029 1 3 . 1 1 61 61 HIS C C 61 173.994 173.994 173.512 0.482 18226 1030 1 3 . 1 1 61 61 HIS CA C 61 55.433 55.433 57.102 -1.669 18226 1031 1 3 . 1 1 61 61 HIS CB C 61 29.201 29.201 28.337 0.864 18226 1032 1 3 . 1 1 61 61 HIS H H 61 8.662 8.662 8.080 0.582 18226 1033 1 3 . 1 1 62 62 HIS N N 62 120.463 120.463 123.964 -3.501 18226 1034 1 3 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.668 -0.011 18226 1035 1 3 . 1 1 62 62 HIS C C 62 173.939 173.939 174.105 -0.166 18226 1036 1 3 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.435 -0.059 18226 1037 1 3 . 1 1 62 62 HIS CB C 62 29.291 29.291 31.884 -2.593 18226 1038 1 3 . 1 1 62 62 HIS H H 62 8.729 8.729 8.297 0.432 18226 1039 1 3 . 1 1 63 63 HIS N N 63 120.370 120.370 124.933 -4.563 18226 1040 1 3 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.729 -0.071 18226 1041 1 3 . 1 1 63 63 HIS C C 63 173.564 173.564 175.468 -1.904 18226 1042 1 3 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.561 0.047 18226 1043 1 3 . 1 1 63 63 HIS CB C 63 29.365 29.365 29.037 0.328 18226 1044 1 3 . 1 1 63 63 HIS H H 63 8.619 8.619 8.210 0.409 18226 1045 1 4 . 1 1 2 2 GLU N N 2 123.545 123.545 121.849 1.696 18226 1046 1 4 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.523 -0.137 18226 1047 1 4 . 1 1 2 2 GLU C C 2 175.742 175.742 175.524 0.218 18226 1048 1 4 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.479 -0.116 18226 1049 1 4 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.258 0.497 18226 1050 1 4 . 1 1 2 2 GLU H H 2 8.765 8.765 8.618 0.147 18226 1051 1 4 . 1 1 3 3 GLU N N 3 122.227 122.227 120.339 1.888 18226 1052 1 4 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.358 -0.025 18226 1053 1 4 . 1 1 3 3 GLU C C 3 176.636 176.636 176.597 0.039 18226 1054 1 4 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.384 0.104 18226 1055 1 4 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.151 -0.393 18226 1056 1 4 . 1 1 3 3 GLU H H 3 8.550 8.550 8.602 -0.052 18226 1057 1 4 . 1 1 4 4 GLY N N 4 110.108 110.108 108.353 1.755 18226 1058 1 4 . 1 1 4 4 GLY C C 4 174.548 174.548 173.611 0.937 18226 1059 1 4 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.799 0.676 18226 1060 1 4 . 1 1 4 4 GLY H H 4 8.453 8.453 7.781 0.672 18226 1061 1 4 . 1 1 5 5 GLY N N 5 108.466 108.466 109.657 -1.191 18226 1062 1 4 . 1 1 5 5 GLY C C 5 173.790 173.790 174.257 -0.467 18226 1063 1 4 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.542 0.822 18226 1064 1 4 . 1 1 5 5 GLY H H 5 8.168 8.168 8.132 0.036 18226 1065 1 4 . 1 1 6 6 ASP N N 6 119.764 119.764 122.907 -3.143 18226 1066 1 4 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.590 -0.007 18226 1067 1 4 . 1 1 6 6 ASP C C 6 175.811 175.811 175.219 0.592 18226 1068 1 4 . 1 1 6 6 ASP CA C 6 53.992 53.992 53.840 0.152 18226 1069 1 4 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.136 -0.879 18226 1070 1 4 . 1 1 6 6 ASP H H 6 8.187 8.187 8.775 -0.588 18226 1071 1 4 . 1 1 7 7 PHE N N 7 119.941 119.941 114.090 5.851 18226 1072 1 4 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.888 -0.322 18226 1073 1 4 . 1 1 7 7 PHE C C 7 175.636 175.636 174.315 1.321 18226 1074 1 4 . 1 1 7 7 PHE CA C 7 58.071 58.071 56.759 1.312 18226 1075 1 4 . 1 1 7 7 PHE CB C 7 39.319 39.319 38.818 0.501 18226 1076 1 4 . 1 1 7 7 PHE H H 7 8.103 8.103 7.166 0.937 18226 1077 1 4 . 1 1 8 8 ASP N N 8 120.418 120.418 121.375 -0.957 18226 1078 1 4 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.698 -0.161 18226 1079 1 4 . 1 1 8 8 ASP C C 8 175.548 175.548 175.367 0.181 18226 1080 1 4 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.610 -0.237 18226 1081 1 4 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.889 -0.503 18226 1082 1 4 . 1 1 8 8 ASP H H 8 8.177 8.177 8.432 -0.255 18226 1083 1 4 . 1 1 9 9 ASN N N 9 118.260 118.260 118.393 -0.133 18226 1084 1 4 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.712 -0.125 18226 1085 1 4 . 1 1 9 9 ASN C C 9 174.782 174.782 174.511 0.271 18226 1086 1 4 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.760 -0.363 18226 1087 1 4 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.316 -0.555 18226 1088 1 4 . 1 1 9 9 ASN H H 9 8.057 8.057 8.210 -0.153 18226 1089 1 4 . 1 1 10 10 TYR N N 10 120.145 120.145 118.511 1.634 18226 1090 1 4 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.240 0.199 18226 1091 1 4 . 1 1 10 10 TYR C C 10 175.520 175.520 173.673 1.847 18226 1092 1 4 . 1 1 10 10 TYR CA C 10 58.369 58.369 57.746 0.623 18226 1093 1 4 . 1 1 10 10 TYR CB C 10 38.749 38.749 39.428 -0.679 18226 1094 1 4 . 1 1 10 10 TYR H H 10 7.951 7.951 7.960 -0.009 18226 1095 1 4 . 1 1 11 11 TYR N N 11 121.223 121.223 114.667 6.556 18226 1096 1 4 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.166 0.333 18226 1097 1 4 . 1 1 11 11 TYR C C 11 175.974 175.974 174.679 1.295 18226 1098 1 4 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.551 -0.478 18226 1099 1 4 . 1 1 11 11 TYR CB C 11 38.671 38.671 36.140 2.531 18226 1100 1 4 . 1 1 11 11 TYR H H 11 7.971 7.971 7.955 0.016 18226 1101 1 4 . 1 1 12 12 GLY N N 12 109.861 109.861 104.939 4.922 18226 1102 1 4 . 1 1 12 12 GLY C C 12 173.775 173.775 174.529 -0.754 18226 1103 1 4 . 1 1 12 12 GLY CA C 12 45.380 45.380 46.429 -1.049 18226 1104 1 4 . 1 1 12 12 GLY H H 12 7.769 7.769 8.499 -0.730 18226 1105 1 4 . 1 1 13 13 ALA N N 13 123.378 123.378 121.372 2.006 18226 1106 1 4 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.362 -0.060 18226 1107 1 4 . 1 1 13 13 ALA C C 13 177.509 177.509 176.211 1.298 18226 1108 1 4 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.398 0.229 18226 1109 1 4 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.324 0.120 18226 1110 1 4 . 1 1 13 13 ALA H H 13 7.975 7.975 7.885 0.090 18226 1111 1 4 . 1 1 14 14 ASP N N 14 118.494 118.494 118.865 -0.371 18226 1112 1 4 . 1 1 14 14 ASP HA H 14 4.634 4.634 3.581 1.053 18226 1113 1 4 . 1 1 14 14 ASP C C 14 175.747 175.747 174.963 0.784 18226 1114 1 4 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.230 -0.228 18226 1115 1 4 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.134 0.028 18226 1116 1 4 . 1 1 14 14 ASP H H 14 8.307 8.307 8.507 -0.200 18226 1117 1 4 . 1 1 15 15 ASN N N 15 118.834 118.834 117.758 1.076 18226 1118 1 4 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.377 0.285 18226 1119 1 4 . 1 1 15 15 ASN C C 15 175.258 175.258 175.738 -0.480 18226 1120 1 4 . 1 1 15 15 ASN CA C 15 53.515 53.515 54.236 -0.721 18226 1121 1 4 . 1 1 15 15 ASN CB C 15 38.757 38.757 37.877 0.880 18226 1122 1 4 . 1 1 15 15 ASN H H 15 8.221 8.221 8.165 0.056 18226 1123 1 4 . 1 1 16 16 GLN N N 16 120.413 120.413 121.560 -1.147 18226 1124 1 4 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.207 0.148 18226 1125 1 4 . 1 1 16 16 GLN C C 16 176.096 176.096 175.196 0.900 18226 1126 1 4 . 1 1 16 16 GLN CA C 16 56.240 56.240 56.662 -0.422 18226 1127 1 4 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.302 1.069 18226 1128 1 4 . 1 1 16 16 GLN H H 16 8.295 8.295 8.224 0.071 18226 1129 1 4 . 1 1 17 17 SER N N 17 116.692 116.692 114.462 2.230 18226 1130 1 4 . 1 1 17 17 SER HA H 17 4.428 4.428 4.511 -0.083 18226 1131 1 4 . 1 1 17 17 SER C C 17 174.523 174.523 174.039 0.484 18226 1132 1 4 . 1 1 17 17 SER CA C 17 58.683 58.683 58.987 -0.305 18226 1133 1 4 . 1 1 17 17 SER CB C 17 63.794 63.794 64.378 -0.584 18226 1134 1 4 . 1 1 17 17 SER H H 17 8.267 8.267 7.983 0.284 18226 1135 1 4 . 1 1 18 18 GLU N N 18 122.142 122.142 124.663 -2.521 18226 1136 1 4 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.378 -0.015 18226 1137 1 4 . 1 1 18 18 GLU C C 18 175.937 175.937 176.525 -0.588 18226 1138 1 4 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.218 0.087 18226 1139 1 4 . 1 1 18 18 GLU CB C 18 29.506 29.506 28.399 1.107 18226 1140 1 4 . 1 1 18 18 GLU H H 18 8.330 8.330 8.516 -0.186 18226 1141 1 4 . 1 1 19 19 CYS N N 19 120.077 120.077 120.781 -0.704 18226 1142 1 4 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.512 -0.080 18226 1143 1 4 . 1 1 19 19 CYS C C 19 174.442 174.442 175.821 -1.379 18226 1144 1 4 . 1 1 19 19 CYS CA C 19 58.613 58.613 59.043 -0.430 18226 1145 1 4 . 1 1 19 19 CYS CB C 19 27.999 27.999 29.072 -1.073 18226 1146 1 4 . 1 1 19 19 CYS H H 19 8.276 8.276 8.399 -0.123 18226 1147 1 4 . 1 1 20 20 GLU N N 20 123.369 123.369 119.918 3.451 18226 1148 1 4 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.408 -0.105 18226 1149 1 4 . 1 1 20 20 GLU C C 20 175.858 175.858 177.612 -1.754 18226 1150 1 4 . 1 1 20 20 GLU CA C 20 56.457 56.457 58.473 -2.016 18226 1151 1 4 . 1 1 20 20 GLU CB C 20 29.150 29.150 28.932 0.218 18226 1152 1 4 . 1 1 20 20 GLU H H 20 8.400 8.400 8.440 -0.040 18226 1153 1 4 . 1 1 21 21 TYR N N 21 119.980 119.980 119.039 0.941 18226 1154 1 4 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.235 0.309 18226 1155 1 4 . 1 1 21 21 TYR C C 21 175.669 175.669 176.923 -1.254 18226 1156 1 4 . 1 1 21 21 TYR CA C 21 58.103 58.103 61.355 -3.252 18226 1157 1 4 . 1 1 21 21 TYR CB C 21 38.677 38.677 39.043 -0.366 18226 1158 1 4 . 1 1 21 21 TYR H H 21 7.991 7.991 8.039 -0.048 18226 1159 1 4 . 1 1 22 22 THR N N 22 113.984 113.984 105.703 8.281 18226 1160 1 4 . 1 1 22 22 THR HA H 22 4.164 4.164 4.798 -0.634 18226 1161 1 4 . 1 1 22 22 THR C C 22 174.259 174.259 173.873 0.386 18226 1162 1 4 . 1 1 22 22 THR CA C 22 62.381 62.381 62.171 0.210 18226 1163 1 4 . 1 1 22 22 THR CB C 22 69.551 69.551 70.277 -0.726 18226 1164 1 4 . 1 1 22 22 THR H H 22 7.821 7.821 7.737 0.084 18226 1165 1 4 . 1 1 23 23 ASP N N 23 121.930 121.930 121.997 -0.067 18226 1166 1 4 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.746 -0.075 18226 1167 1 4 . 1 1 23 23 ASP C C 23 176.164 176.164 176.254 -0.090 18226 1168 1 4 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.081 -0.400 18226 1169 1 4 . 1 1 23 23 ASP CB C 23 39.606 39.606 40.910 -1.304 18226 1170 1 4 . 1 1 23 23 ASP H H 23 8.106 8.106 8.238 -0.132 18226 1171 1 4 . 1 1 24 24 TRP N N 24 121.947 121.947 118.234 3.713 18226 1172 1 4 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.667 -0.185 18226 1173 1 4 . 1 1 24 24 TRP C C 24 176.496 176.496 175.345 1.151 18226 1174 1 4 . 1 1 24 24 TRP CA C 24 58.238 58.238 56.712 1.526 18226 1175 1 4 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.528 0.661 18226 1176 1 4 . 1 1 24 24 TRP H H 24 7.991 7.991 8.090 -0.099 18226 1177 1 4 . 1 1 25 25 LYS N N 25 119.673 119.673 116.233 3.440 18226 1178 1 4 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.223 -0.234 18226 1179 1 4 . 1 1 25 25 LYS C C 25 176.770 176.770 175.721 1.049 18226 1180 1 4 . 1 1 25 25 LYS CA C 25 57.467 57.467 56.056 1.411 18226 1181 1 4 . 1 1 25 25 LYS CB C 25 31.953 31.953 30.640 1.313 18226 1182 1 4 . 1 1 25 25 LYS H H 25 7.588 7.588 7.442 0.146 18226 1183 1 4 . 1 1 26 26 SER N N 26 114.157 114.157 114.019 0.138 18226 1184 1 4 . 1 1 26 26 SER HA H 26 4.462 4.462 4.569 -0.107 18226 1185 1 4 . 1 1 26 26 SER C C 26 175.126 175.126 174.316 0.810 18226 1186 1 4 . 1 1 26 26 SER CA C 26 58.673 58.673 58.983 -0.310 18226 1187 1 4 . 1 1 26 26 SER CB C 26 63.801 63.801 63.734 0.067 18226 1188 1 4 . 1 1 26 26 SER H H 26 7.823 7.823 7.574 0.249 18226 1189 1 4 . 1 1 27 27 SER N N 27 117.353 117.353 114.204 3.149 18226 1190 1 4 . 1 1 27 27 SER HA H 27 4.288 4.288 4.720 -0.432 18226 1191 1 4 . 1 1 27 27 SER C C 27 175.598 175.598 174.001 1.597 18226 1192 1 4 . 1 1 27 27 SER CA C 27 60.216 60.216 58.643 1.573 18226 1193 1 4 . 1 1 27 27 SER CB C 27 63.684 63.684 63.752 -0.068 18226 1194 1 4 . 1 1 27 27 SER H H 27 8.178 8.178 7.970 0.208 18226 1195 1 4 . 1 1 28 28 GLY N N 28 110.249 110.249 107.519 2.730 18226 1196 1 4 . 1 1 28 28 GLY C C 28 174.667 174.667 173.711 0.956 18226 1197 1 4 . 1 1 28 28 GLY CA C 28 46.276 46.276 44.858 1.417 18226 1198 1 4 . 1 1 28 28 GLY H H 28 8.359 8.359 8.093 0.266 18226 1199 1 4 . 1 1 29 29 ALA N N 29 121.959 121.959 121.348 0.611 18226 1200 1 4 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.651 -0.323 18226 1201 1 4 . 1 1 29 29 ALA C C 29 177.873 177.873 177.404 0.469 18226 1202 1 4 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.670 0.591 18226 1203 1 4 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.766 -0.129 18226 1204 1 4 . 1 1 29 29 ALA H H 29 7.931 7.931 8.040 -0.109 18226 1205 1 4 . 1 1 30 30 LEU N N 30 117.460 117.460 119.639 -2.179 18226 1206 1 4 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.542 -0.334 18226 1207 1 4 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.637 1.755 18226 1208 1 4 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.470 0.135 18226 1209 1 4 . 1 1 30 30 LEU H H 30 7.924 7.924 8.001 -0.077 18226 1210 1 4 . 1 1 31 31 ILE N N 31 117.379 117.379 118.044 -0.665 18226 1211 1 4 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.416 -0.493 18226 1212 1 4 . 1 1 31 31 ILE CA C 31 66.011 66.011 62.706 3.305 18226 1213 1 4 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.252 -0.029 18226 1214 1 4 . 1 1 31 31 ILE H H 31 8.100 8.100 7.793 0.307 18226 1215 1 4 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.544 -0.226 18226 1216 1 4 . 1 1 32 32 PRO C C 32 178.706 178.706 175.640 3.066 18226 1217 1 4 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.191 2.840 18226 1218 1 4 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.194 1.073 18226 1219 1 4 . 1 1 33 33 ALA N N 33 119.040 119.040 121.160 -2.120 18226 1220 1 4 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.497 -0.302 18226 1221 1 4 . 1 1 33 33 ALA C C 33 179.052 179.052 177.176 1.876 18226 1222 1 4 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.139 3.254 18226 1223 1 4 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.857 -1.326 18226 1224 1 4 . 1 1 33 33 ALA H H 33 7.462 7.462 8.215 -0.753 18226 1225 1 4 . 1 1 34 34 ILE N N 34 118.037 118.037 113.148 4.889 18226 1226 1 4 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.453 -0.731 18226 1227 1 4 . 1 1 34 34 ILE C C 34 177.827 177.827 176.186 1.641 18226 1228 1 4 . 1 1 34 34 ILE CA C 34 65.023 65.023 61.492 3.531 18226 1229 1 4 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.768 -2.427 18226 1230 1 4 . 1 1 34 34 ILE H H 34 8.176 8.176 7.418 0.758 18226 1231 1 4 . 1 1 35 35 TYR N N 35 118.783 118.783 120.851 -2.068 18226 1232 1 4 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.492 -0.347 18226 1233 1 4 . 1 1 35 35 TYR C C 35 178.062 178.062 176.219 1.843 18226 1234 1 4 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.316 1.232 18226 1235 1 4 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.528 -0.786 18226 1236 1 4 . 1 1 35 35 TYR H H 35 8.306 8.306 7.788 0.518 18226 1237 1 4 . 1 1 36 36 MET N N 36 118.068 118.068 116.740 1.328 18226 1238 1 4 . 1 1 36 36 MET HA H 36 4.317 4.317 4.702 -0.385 18226 1239 1 4 . 1 1 36 36 MET C C 36 178.183 178.183 176.496 1.687 18226 1240 1 4 . 1 1 36 36 MET CA C 36 58.533 58.533 55.992 2.541 18226 1241 1 4 . 1 1 36 36 MET CB C 36 32.288 32.288 32.456 -0.168 18226 1242 1 4 . 1 1 36 36 MET H H 36 8.090 8.090 7.868 0.222 18226 1243 1 4 . 1 1 37 37 LEU N N 37 120.316 120.316 120.400 -0.084 18226 1244 1 4 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.206 -0.091 18226 1245 1 4 . 1 1 37 37 LEU C C 37 178.353 178.353 177.683 0.670 18226 1246 1 4 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.285 2.045 18226 1247 1 4 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.360 0.554 18226 1248 1 4 . 1 1 37 37 LEU H H 37 8.106 8.106 8.054 0.052 18226 1249 1 4 . 1 1 38 38 VAL N N 38 118.385 118.385 115.803 2.582 18226 1250 1 4 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.023 -0.494 18226 1251 1 4 . 1 1 38 38 VAL C C 38 178.216 178.216 176.005 2.211 18226 1252 1 4 . 1 1 38 38 VAL CA C 38 67.042 67.042 62.726 4.316 18226 1253 1 4 . 1 1 38 38 VAL CB C 38 31.625 31.625 33.043 -1.418 18226 1254 1 4 . 1 1 38 38 VAL H H 38 8.305 8.305 7.280 1.025 18226 1255 1 4 . 1 1 39 39 PHE N N 39 120.216 120.216 120.086 0.130 18226 1256 1 4 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.451 -0.190 18226 1257 1 4 . 1 1 39 39 PHE C C 39 178.597 178.597 174.676 3.921 18226 1258 1 4 . 1 1 39 39 PHE CA C 39 61.320 61.320 58.889 2.431 18226 1259 1 4 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.193 -0.304 18226 1260 1 4 . 1 1 39 39 PHE H H 39 8.196 8.196 8.106 0.090 18226 1261 1 4 . 1 1 40 40 LEU N N 40 120.772 120.772 118.730 2.042 18226 1262 1 4 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.338 -0.288 18226 1263 1 4 . 1 1 40 40 LEU C C 40 179.666 179.666 176.057 3.609 18226 1264 1 4 . 1 1 40 40 LEU CA C 40 57.906 57.906 55.066 2.840 18226 1265 1 4 . 1 1 40 40 LEU CB C 40 42.340 42.340 43.129 -0.789 18226 1266 1 4 . 1 1 40 40 LEU H H 40 8.452 8.452 7.778 0.674 18226 1267 1 4 . 1 1 41 41 LEU N N 41 119.185 119.185 115.756 3.429 18226 1268 1 4 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.709 -0.610 18226 1269 1 4 . 1 1 41 41 LEU C C 41 178.878 178.878 178.053 0.825 18226 1270 1 4 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.546 1.840 18226 1271 1 4 . 1 1 41 41 LEU CB C 41 41.855 41.855 42.394 -0.539 18226 1272 1 4 . 1 1 41 41 LEU H H 41 8.435 8.435 7.211 1.224 18226 1273 1 4 . 1 1 42 42 GLY N N 42 105.718 105.718 106.566 -0.848 18226 1274 1 4 . 1 1 42 42 GLY C C 42 174.908 174.908 174.305 0.603 18226 1275 1 4 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.862 -0.220 18226 1276 1 4 . 1 1 42 42 GLY H H 42 8.208 8.208 7.842 0.366 18226 1277 1 4 . 1 1 43 43 THR N N 43 111.959 111.959 112.445 -0.486 18226 1278 1 4 . 1 1 43 43 THR HA H 43 4.348 4.348 4.236 0.112 18226 1279 1 4 . 1 1 43 43 THR C C 43 175.665 175.665 173.887 1.778 18226 1280 1 4 . 1 1 43 43 THR CA C 43 63.097 63.097 60.875 2.222 18226 1281 1 4 . 1 1 43 43 THR CB C 43 69.867 69.867 69.190 0.677 18226 1282 1 4 . 1 1 43 43 THR H H 43 7.789 7.789 7.270 0.519 18226 1283 1 4 . 1 1 44 44 THR N N 44 113.271 113.271 117.388 -4.117 18226 1284 1 4 . 1 1 44 44 THR HA H 44 4.308 4.308 3.909 0.399 18226 1285 1 4 . 1 1 44 44 THR C C 44 175.754 175.754 175.263 0.491 18226 1286 1 4 . 1 1 44 44 THR CA C 44 63.194 63.194 63.357 -0.163 18226 1287 1 4 . 1 1 44 44 THR CB C 44 70.171 70.171 67.588 2.583 18226 1288 1 4 . 1 1 44 44 THR H H 44 7.833 7.833 8.515 -0.682 18226 1289 1 4 . 1 1 45 45 GLY N N 45 109.879 109.879 109.619 0.260 18226 1290 1 4 . 1 1 45 45 GLY C C 45 175.221 175.221 175.840 -0.619 18226 1291 1 4 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.781 0.759 18226 1292 1 4 . 1 1 45 45 GLY H H 45 8.259 8.259 8.089 0.170 18226 1293 1 4 . 1 1 46 46 ASN N N 46 117.998 117.998 122.034 -4.036 18226 1294 1 4 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.507 0.105 18226 1295 1 4 . 1 1 46 46 ASN C C 46 176.215 176.215 177.102 -0.887 18226 1296 1 4 . 1 1 46 46 ASN CA C 46 54.840 54.840 55.213 -0.373 18226 1297 1 4 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.022 0.544 18226 1298 1 4 . 1 1 46 46 ASN H H 46 8.235 8.235 8.639 -0.404 18226 1299 1 4 . 1 1 47 47 GLY N N 47 106.990 106.990 106.617 0.373 18226 1300 1 4 . 1 1 47 47 GLY C C 47 174.659 174.659 174.822 -0.163 18226 1301 1 4 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.918 1.061 18226 1302 1 4 . 1 1 47 47 GLY H H 47 8.425 8.425 8.258 0.167 18226 1303 1 4 . 1 1 48 48 LEU N N 48 120.699 120.699 120.704 -0.005 18226 1304 1 4 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.422 -0.122 18226 1305 1 4 . 1 1 48 48 LEU C C 48 179.482 179.482 176.541 2.941 18226 1306 1 4 . 1 1 48 48 LEU CA C 48 57.445 57.445 56.154 1.291 18226 1307 1 4 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.395 0.171 18226 1308 1 4 . 1 1 48 48 LEU H H 48 7.956 7.956 7.942 0.014 18226 1309 1 4 . 1 1 49 49 VAL N N 49 120.101 120.101 116.657 3.444 18226 1310 1 4 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.114 -0.235 18226 1311 1 4 . 1 1 49 49 VAL C C 49 177.535 177.535 176.191 1.344 18226 1312 1 4 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.594 2.268 18226 1313 1 4 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.753 -0.974 18226 1314 1 4 . 1 1 49 49 VAL H H 49 7.919 7.919 7.487 0.432 18226 1315 1 4 . 1 1 50 50 LEU N N 50 119.268 119.268 121.001 -1.733 18226 1316 1 4 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.505 -0.462 18226 1317 1 4 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.476 0.369 18226 1318 1 4 . 1 1 50 50 LEU CB C 50 41.877 41.877 43.184 -1.307 18226 1319 1 4 . 1 1 50 50 LEU H H 50 7.731 7.731 7.697 0.034 18226 1320 1 4 . 1 1 51 51 TRP N N 51 118.033 118.033 120.560 -2.527 18226 1321 1 4 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.360 0.232 18226 1322 1 4 . 1 1 51 51 TRP C C 51 177.302 177.302 176.834 0.468 18226 1323 1 4 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.990 -0.201 18226 1324 1 4 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.152 1.055 18226 1325 1 4 . 1 1 51 51 TRP H H 51 8.070 8.070 7.902 0.168 18226 1326 1 4 . 1 1 52 52 THR N N 52 113.014 113.014 113.858 -0.844 18226 1327 1 4 . 1 1 52 52 THR HA H 52 3.746 3.746 3.980 -0.234 18226 1328 1 4 . 1 1 52 52 THR C C 52 176.361 176.361 176.315 0.046 18226 1329 1 4 . 1 1 52 52 THR CA C 52 66.443 66.443 65.007 1.436 18226 1330 1 4 . 1 1 52 52 THR CB C 52 69.017 69.017 69.247 -0.230 18226 1331 1 4 . 1 1 52 52 THR H H 52 8.101 8.101 7.625 0.476 18226 1332 1 4 . 1 1 53 53 VAL N N 53 120.231 120.231 121.246 -1.015 18226 1333 1 4 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.794 -0.116 18226 1334 1 4 . 1 1 53 53 VAL C C 53 177.482 177.482 177.071 0.411 18226 1335 1 4 . 1 1 53 53 VAL CA C 53 66.158 66.158 65.840 0.318 18226 1336 1 4 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.869 -0.102 18226 1337 1 4 . 1 1 53 53 VAL H H 53 7.905 7.905 7.509 0.396 18226 1338 1 4 . 1 1 54 54 PHE N N 54 118.609 118.609 116.158 2.451 18226 1339 1 4 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.486 -0.253 18226 1340 1 4 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.006 2.660 18226 1341 1 4 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.772 0.486 18226 1342 1 4 . 1 1 54 54 PHE H H 54 8.025 8.025 7.633 0.392 18226 1343 1 4 . 1 1 55 55 ARG N N 55 117.305 117.305 119.967 -2.662 18226 1344 1 4 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.167 -0.359 18226 1345 1 4 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.168 0.542 18226 1346 1 4 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.064 -1.401 18226 1347 1 4 . 1 1 55 55 ARG H H 55 8.025 8.025 7.552 0.473 18226 1348 1 4 . 1 1 56 56 LYS N N 56 118.321 118.321 120.309 -1.988 18226 1349 1 4 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.239 -0.069 18226 1350 1 4 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.408 -0.969 18226 1351 1 4 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.518 1.411 18226 1352 1 4 . 1 1 56 56 LYS H H 56 7.717 7.717 8.396 -0.679 18226 1353 1 4 . 1 1 57 57 LYS N N 57 118.349 118.349 118.989 -0.640 18226 1354 1 4 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.064 0.225 18226 1355 1 4 . 1 1 57 57 LYS C C 57 176.891 176.891 177.207 -0.316 18226 1356 1 4 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.907 -1.534 18226 1357 1 4 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.186 0.678 18226 1358 1 4 . 1 1 57 57 LYS H H 57 7.872 7.872 8.130 -0.258 18226 1359 1 4 . 1 1 58 58 GLY N N 58 107.442 107.442 107.394 0.048 18226 1360 1 4 . 1 1 58 58 GLY C C 58 173.263 173.263 173.961 -0.698 18226 1361 1 4 . 1 1 58 58 GLY CA C 58 45.557 45.557 45.383 0.174 18226 1362 1 4 . 1 1 58 58 GLY H H 58 8.060 8.060 7.587 0.473 18226 1363 1 4 . 1 1 59 59 HIS N N 59 116.928 116.928 121.944 -5.016 18226 1364 1 4 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.265 0.403 18226 1365 1 4 . 1 1 59 59 HIS C C 59 173.935 173.935 175.110 -1.175 18226 1366 1 4 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.723 -3.638 18226 1367 1 4 . 1 1 59 59 HIS CB C 59 29.223 29.223 30.252 -1.029 18226 1368 1 4 . 1 1 59 59 HIS H H 59 8.076 8.076 8.866 -0.790 18226 1369 1 4 . 1 1 60 60 HIS N N 60 119.187 119.187 113.751 5.436 18226 1370 1 4 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.462 0.209 18226 1371 1 4 . 1 1 60 60 HIS C C 60 173.926 173.926 174.918 -0.992 18226 1372 1 4 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.336 -0.907 18226 1373 1 4 . 1 1 60 60 HIS CB C 60 29.157 29.157 30.086 -0.929 18226 1374 1 4 . 1 1 60 60 HIS H H 60 8.547 8.547 7.920 0.627 18226 1375 1 4 . 1 1 61 61 HIS N N 61 120.017 120.017 121.294 -1.277 18226 1376 1 4 . 1 1 61 61 HIS HA H 61 4.667 4.667 3.877 0.790 18226 1377 1 4 . 1 1 61 61 HIS C C 61 173.994 173.994 175.308 -1.314 18226 1378 1 4 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.621 -0.188 18226 1379 1 4 . 1 1 61 61 HIS CB C 61 29.201 29.201 27.865 1.336 18226 1380 1 4 . 1 1 61 61 HIS H H 61 8.662 8.662 8.628 0.034 18226 1381 1 4 . 1 1 62 62 HIS N N 62 120.463 120.463 119.247 1.216 18226 1382 1 4 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.289 0.368 18226 1383 1 4 . 1 1 62 62 HIS C C 62 173.939 173.939 175.978 -2.039 18226 1384 1 4 . 1 1 62 62 HIS CA C 62 55.376 55.376 57.843 -2.467 18226 1385 1 4 . 1 1 62 62 HIS CB C 62 29.291 29.291 29.641 -0.350 18226 1386 1 4 . 1 1 62 62 HIS H H 62 8.729 8.729 6.991 1.738 18226 1387 1 4 . 1 1 63 63 HIS N N 63 120.370 120.370 118.726 1.644 18226 1388 1 4 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.880 -0.222 18226 1389 1 4 . 1 1 63 63 HIS C C 63 173.564 173.564 173.820 -0.256 18226 1390 1 4 . 1 1 63 63 HIS CA C 63 55.608 55.608 56.335 -0.727 18226 1391 1 4 . 1 1 63 63 HIS CB C 63 29.365 29.365 30.480 -1.115 18226 1392 1 4 . 1 1 63 63 HIS H H 63 8.619 8.619 8.827 -0.208 18226 1393 1 5 . 1 1 2 2 GLU N N 2 123.545 123.545 120.612 2.933 18226 1394 1 5 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.436 -0.050 18226 1395 1 5 . 1 1 2 2 GLU C C 2 175.742 175.742 175.326 0.416 18226 1396 1 5 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.331 0.032 18226 1397 1 5 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.892 -0.137 18226 1398 1 5 . 1 1 2 2 GLU H H 2 8.765 8.765 8.470 0.295 18226 1399 1 5 . 1 1 3 3 GLU N N 3 122.227 122.227 117.117 5.110 18226 1400 1 5 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.128 0.205 18226 1401 1 5 . 1 1 3 3 GLU C C 3 176.636 176.636 175.271 1.365 18226 1402 1 5 . 1 1 3 3 GLU CA C 3 56.488 56.488 57.050 -0.562 18226 1403 1 5 . 1 1 3 3 GLU CB C 3 29.757 29.757 28.486 1.271 18226 1404 1 5 . 1 1 3 3 GLU H H 3 8.550 8.550 8.315 0.235 18226 1405 1 5 . 1 1 4 4 GLY N N 4 110.108 110.108 105.470 4.638 18226 1406 1 5 . 1 1 4 4 GLY C C 4 174.548 174.548 174.327 0.221 18226 1407 1 5 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.185 0.290 18226 1408 1 5 . 1 1 4 4 GLY H H 4 8.453 8.453 7.944 0.509 18226 1409 1 5 . 1 1 5 5 GLY N N 5 108.466 108.466 109.650 -1.184 18226 1410 1 5 . 1 1 5 5 GLY C C 5 173.790 173.790 173.754 0.036 18226 1411 1 5 . 1 1 5 5 GLY CA C 5 45.364 45.364 46.720 -1.356 18226 1412 1 5 . 1 1 5 5 GLY H H 5 8.168 8.168 8.214 -0.046 18226 1413 1 5 . 1 1 6 6 ASP N N 6 119.764 119.764 120.893 -1.129 18226 1414 1 5 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.879 -0.296 18226 1415 1 5 . 1 1 6 6 ASP C C 6 175.811 175.811 175.237 0.574 18226 1416 1 5 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.209 -0.217 18226 1417 1 5 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.835 -1.578 18226 1418 1 5 . 1 1 6 6 ASP H H 6 8.187 8.187 8.442 -0.255 18226 1419 1 5 . 1 1 7 7 PHE N N 7 119.941 119.941 120.760 -0.819 18226 1420 1 5 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.714 -0.148 18226 1421 1 5 . 1 1 7 7 PHE C C 7 175.636 175.636 174.312 1.324 18226 1422 1 5 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.410 -0.339 18226 1423 1 5 . 1 1 7 7 PHE CB C 7 39.319 39.319 40.494 -1.175 18226 1424 1 5 . 1 1 7 7 PHE H H 7 8.103 8.103 7.640 0.463 18226 1425 1 5 . 1 1 8 8 ASP N N 8 120.418 120.418 120.838 -0.420 18226 1426 1 5 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.457 0.080 18226 1427 1 5 . 1 1 8 8 ASP C C 8 175.548 175.548 174.627 0.921 18226 1428 1 5 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.178 0.195 18226 1429 1 5 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.697 -0.311 18226 1430 1 5 . 1 1 8 8 ASP H H 8 8.177 8.177 8.520 -0.343 18226 1431 1 5 . 1 1 9 9 ASN N N 9 118.260 118.260 116.781 1.479 18226 1432 1 5 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.700 -0.113 18226 1433 1 5 . 1 1 9 9 ASN C C 9 174.782 174.782 175.048 -0.266 18226 1434 1 5 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.682 -0.285 18226 1435 1 5 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.299 -0.537 18226 1436 1 5 . 1 1 9 9 ASN H H 9 8.057 8.057 8.094 -0.037 18226 1437 1 5 . 1 1 10 10 TYR N N 10 120.145 120.145 120.391 -0.246 18226 1438 1 5 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.412 0.027 18226 1439 1 5 . 1 1 10 10 TYR C C 10 175.520 175.520 175.195 0.325 18226 1440 1 5 . 1 1 10 10 TYR CA C 10 58.369 58.369 58.843 -0.474 18226 1441 1 5 . 1 1 10 10 TYR CB C 10 38.749 38.749 38.817 -0.068 18226 1442 1 5 . 1 1 10 10 TYR H H 10 7.951 7.951 7.879 0.072 18226 1443 1 5 . 1 1 11 11 TYR N N 11 121.223 121.223 120.148 1.075 18226 1444 1 5 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.056 0.443 18226 1445 1 5 . 1 1 11 11 TYR C C 11 175.974 175.974 175.724 0.250 18226 1446 1 5 . 1 1 11 11 TYR CA C 11 58.073 58.073 59.697 -1.624 18226 1447 1 5 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.892 2.779 18226 1448 1 5 . 1 1 11 11 TYR H H 11 7.971 7.971 8.190 -0.219 18226 1449 1 5 . 1 1 12 12 GLY N N 12 109.861 109.861 111.829 -1.968 18226 1450 1 5 . 1 1 12 12 GLY C C 12 173.775 173.775 172.596 1.179 18226 1451 1 5 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.306 0.074 18226 1452 1 5 . 1 1 12 12 GLY H H 12 7.769 7.769 7.948 -0.179 18226 1453 1 5 . 1 1 13 13 ALA N N 13 123.378 123.378 122.762 0.616 18226 1454 1 5 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.318 -0.016 18226 1455 1 5 . 1 1 13 13 ALA C C 13 177.509 177.509 175.498 2.011 18226 1456 1 5 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.356 0.271 18226 1457 1 5 . 1 1 13 13 ALA CB C 13 19.444 19.444 20.196 -0.752 18226 1458 1 5 . 1 1 13 13 ALA H H 13 7.975 7.975 8.195 -0.220 18226 1459 1 5 . 1 1 14 14 ASP N N 14 118.494 118.494 117.457 1.037 18226 1460 1 5 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.364 0.270 18226 1461 1 5 . 1 1 14 14 ASP C C 14 175.747 175.747 174.322 1.425 18226 1462 1 5 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.419 -0.417 18226 1463 1 5 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.304 -0.143 18226 1464 1 5 . 1 1 14 14 ASP H H 14 8.307 8.307 8.531 -0.224 18226 1465 1 5 . 1 1 15 15 ASN N N 15 118.834 118.834 115.416 3.418 18226 1466 1 5 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.367 0.295 18226 1467 1 5 . 1 1 15 15 ASN C C 15 175.258 175.258 175.710 -0.452 18226 1468 1 5 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.888 -0.373 18226 1469 1 5 . 1 1 15 15 ASN CB C 15 38.757 38.757 36.871 1.886 18226 1470 1 5 . 1 1 15 15 ASN H H 15 8.221 8.221 8.518 -0.297 18226 1471 1 5 . 1 1 16 16 GLN N N 16 120.413 120.413 120.768 -0.355 18226 1472 1 5 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.138 0.217 18226 1473 1 5 . 1 1 16 16 GLN C C 16 176.096 176.096 176.200 -0.104 18226 1474 1 5 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.960 -1.720 18226 1475 1 5 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.974 0.396 18226 1476 1 5 . 1 1 16 16 GLN H H 16 8.295 8.295 8.777 -0.482 18226 1477 1 5 . 1 1 17 17 SER N N 17 116.692 116.692 109.019 7.673 18226 1478 1 5 . 1 1 17 17 SER HA H 17 4.428 4.428 4.363 0.065 18226 1479 1 5 . 1 1 17 17 SER C C 17 174.523 174.523 173.687 0.836 18226 1480 1 5 . 1 1 17 17 SER CA C 17 58.683 58.683 58.849 -0.167 18226 1481 1 5 . 1 1 17 17 SER CB C 17 63.794 63.794 63.877 -0.083 18226 1482 1 5 . 1 1 17 17 SER H H 17 8.267 8.267 7.818 0.449 18226 1483 1 5 . 1 1 18 18 GLU N N 18 122.142 122.142 122.072 0.070 18226 1484 1 5 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.331 0.032 18226 1485 1 5 . 1 1 18 18 GLU C C 18 175.937 175.937 176.291 -0.354 18226 1486 1 5 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.837 -0.531 18226 1487 1 5 . 1 1 18 18 GLU CB C 18 29.506 29.506 30.472 -0.966 18226 1488 1 5 . 1 1 18 18 GLU H H 18 8.330 8.330 8.119 0.211 18226 1489 1 5 . 1 1 19 19 CYS N N 19 120.077 120.077 116.206 3.871 18226 1490 1 5 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.269 0.163 18226 1491 1 5 . 1 1 19 19 CYS C C 19 174.442 174.442 174.977 -0.535 18226 1492 1 5 . 1 1 19 19 CYS CA C 19 58.613 58.613 60.317 -1.704 18226 1493 1 5 . 1 1 19 19 CYS CB C 19 27.999 27.999 27.235 0.764 18226 1494 1 5 . 1 1 19 19 CYS H H 19 8.276 8.276 8.448 -0.172 18226 1495 1 5 . 1 1 20 20 GLU N N 20 123.369 123.369 120.710 2.659 18226 1496 1 5 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.277 0.026 18226 1497 1 5 . 1 1 20 20 GLU C C 20 175.858 175.858 174.927 0.931 18226 1498 1 5 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.539 -0.082 18226 1499 1 5 . 1 1 20 20 GLU CB C 20 29.150 29.150 28.329 0.821 18226 1500 1 5 . 1 1 20 20 GLU H H 20 8.400 8.400 8.352 0.048 18226 1501 1 5 . 1 1 21 21 TYR N N 21 119.980 119.980 120.764 -0.784 18226 1502 1 5 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.669 -0.125 18226 1503 1 5 . 1 1 21 21 TYR C C 21 175.669 175.669 174.406 1.263 18226 1504 1 5 . 1 1 21 21 TYR CA C 21 58.103 58.103 58.071 0.032 18226 1505 1 5 . 1 1 21 21 TYR CB C 21 38.677 38.677 39.605 -0.928 18226 1506 1 5 . 1 1 21 21 TYR H H 21 7.991 7.991 7.837 0.154 18226 1507 1 5 . 1 1 22 22 THR N N 22 113.984 113.984 112.995 0.989 18226 1508 1 5 . 1 1 22 22 THR HA H 22 4.164 4.164 4.186 -0.022 18226 1509 1 5 . 1 1 22 22 THR C C 22 174.259 174.259 173.207 1.052 18226 1510 1 5 . 1 1 22 22 THR CA C 22 62.381 62.381 64.142 -1.761 18226 1511 1 5 . 1 1 22 22 THR CB C 22 69.551 69.551 66.986 2.565 18226 1512 1 5 . 1 1 22 22 THR H H 22 7.821 7.821 8.631 -0.810 18226 1513 1 5 . 1 1 23 23 ASP N N 23 121.930 121.930 118.611 3.319 18226 1514 1 5 . 1 1 23 23 ASP HA H 23 4.671 4.671 5.025 -0.354 18226 1515 1 5 . 1 1 23 23 ASP C C 23 176.164 176.164 175.314 0.850 18226 1516 1 5 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.107 -0.426 18226 1517 1 5 . 1 1 23 23 ASP CB C 23 39.606 39.606 42.681 -3.075 18226 1518 1 5 . 1 1 23 23 ASP H H 23 8.106 8.106 8.439 -0.333 18226 1519 1 5 . 1 1 24 24 TRP N N 24 121.947 121.947 117.976 3.971 18226 1520 1 5 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.904 -0.422 18226 1521 1 5 . 1 1 24 24 TRP C C 24 176.496 176.496 174.874 1.622 18226 1522 1 5 . 1 1 24 24 TRP CA C 24 58.238 58.238 56.370 1.868 18226 1523 1 5 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.150 0.039 18226 1524 1 5 . 1 1 24 24 TRP H H 24 7.991 7.991 8.231 -0.240 18226 1525 1 5 . 1 1 25 25 LYS N N 25 119.673 119.673 114.739 4.934 18226 1526 1 5 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.219 -0.230 18226 1527 1 5 . 1 1 25 25 LYS C C 25 176.770 176.770 175.781 0.989 18226 1528 1 5 . 1 1 25 25 LYS CA C 25 57.467 57.467 56.135 1.332 18226 1529 1 5 . 1 1 25 25 LYS CB C 25 31.953 31.953 32.171 -0.218 18226 1530 1 5 . 1 1 25 25 LYS H H 25 7.588 7.588 7.527 0.061 18226 1531 1 5 . 1 1 26 26 SER N N 26 114.157 114.157 115.615 -1.458 18226 1532 1 5 . 1 1 26 26 SER HA H 26 4.462 4.462 4.366 0.096 18226 1533 1 5 . 1 1 26 26 SER C C 26 175.126 175.126 174.938 0.188 18226 1534 1 5 . 1 1 26 26 SER CA C 26 58.673 58.673 58.365 0.308 18226 1535 1 5 . 1 1 26 26 SER CB C 26 63.801 63.801 63.642 0.158 18226 1536 1 5 . 1 1 26 26 SER H H 26 7.823 7.823 7.855 -0.032 18226 1537 1 5 . 1 1 27 27 SER N N 27 117.353 117.353 115.900 1.453 18226 1538 1 5 . 1 1 27 27 SER HA H 27 4.288 4.288 4.542 -0.254 18226 1539 1 5 . 1 1 27 27 SER C C 27 175.598 175.598 174.525 1.073 18226 1540 1 5 . 1 1 27 27 SER CA C 27 60.216 60.216 58.469 1.747 18226 1541 1 5 . 1 1 27 27 SER CB C 27 63.684 63.684 63.910 -0.226 18226 1542 1 5 . 1 1 27 27 SER H H 27 8.178 8.178 8.089 0.089 18226 1543 1 5 . 1 1 28 28 GLY N N 28 110.249 110.249 108.510 1.739 18226 1544 1 5 . 1 1 28 28 GLY C C 28 174.667 174.667 173.225 1.442 18226 1545 1 5 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.303 0.973 18226 1546 1 5 . 1 1 28 28 GLY H H 28 8.359 8.359 7.852 0.507 18226 1547 1 5 . 1 1 29 29 ALA N N 29 121.959 121.959 122.298 -0.339 18226 1548 1 5 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.497 -0.169 18226 1549 1 5 . 1 1 29 29 ALA C C 29 177.873 177.873 176.711 1.162 18226 1550 1 5 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.379 -0.118 18226 1551 1 5 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.908 -0.271 18226 1552 1 5 . 1 1 29 29 ALA H H 29 7.931 7.931 8.218 -0.287 18226 1553 1 5 . 1 1 30 30 LEU N N 30 117.460 117.460 113.617 3.843 18226 1554 1 5 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.527 -0.319 18226 1555 1 5 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.751 1.641 18226 1556 1 5 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.737 -0.132 18226 1557 1 5 . 1 1 30 30 LEU H H 30 7.924 7.924 7.664 0.260 18226 1558 1 5 . 1 1 31 31 ILE N N 31 117.379 117.379 120.801 -3.422 18226 1559 1 5 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.221 -0.298 18226 1560 1 5 . 1 1 31 31 ILE CA C 31 66.011 66.011 62.783 3.228 18226 1561 1 5 . 1 1 31 31 ILE CB C 31 35.223 35.223 34.870 0.353 18226 1562 1 5 . 1 1 31 31 ILE H H 31 8.100 8.100 8.251 -0.151 18226 1563 1 5 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.624 -0.306 18226 1564 1 5 . 1 1 32 32 PRO C C 32 178.706 178.706 175.718 2.988 18226 1565 1 5 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.197 2.834 18226 1566 1 5 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.227 1.040 18226 1567 1 5 . 1 1 33 33 ALA N N 33 119.040 119.040 121.257 -2.217 18226 1568 1 5 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.505 -0.310 18226 1569 1 5 . 1 1 33 33 ALA C C 33 179.052 179.052 177.271 1.781 18226 1570 1 5 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.589 2.804 18226 1571 1 5 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.350 -1.819 18226 1572 1 5 . 1 1 33 33 ALA H H 33 7.462 7.462 7.976 -0.514 18226 1573 1 5 . 1 1 34 34 ILE N N 34 118.037 118.037 113.784 4.253 18226 1574 1 5 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.331 -0.609 18226 1575 1 5 . 1 1 34 34 ILE C C 34 177.827 177.827 176.826 1.001 18226 1576 1 5 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.172 2.850 18226 1577 1 5 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.826 -2.485 18226 1578 1 5 . 1 1 34 34 ILE H H 34 8.176 8.176 7.444 0.732 18226 1579 1 5 . 1 1 35 35 TYR N N 35 118.783 118.783 120.678 -1.895 18226 1580 1 5 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.422 -0.277 18226 1581 1 5 . 1 1 35 35 TYR C C 35 178.062 178.062 176.489 1.573 18226 1582 1 5 . 1 1 35 35 TYR CA C 35 61.548 61.548 61.318 0.230 18226 1583 1 5 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.778 -1.036 18226 1584 1 5 . 1 1 35 35 TYR H H 35 8.306 8.306 7.749 0.557 18226 1585 1 5 . 1 1 36 36 MET N N 36 118.068 118.068 118.457 -0.389 18226 1586 1 5 . 1 1 36 36 MET HA H 36 4.317 4.317 4.584 -0.267 18226 1587 1 5 . 1 1 36 36 MET C C 36 178.183 178.183 177.770 0.413 18226 1588 1 5 . 1 1 36 36 MET CA C 36 58.533 58.533 57.425 1.108 18226 1589 1 5 . 1 1 36 36 MET CB C 36 32.288 32.288 32.518 -0.230 18226 1590 1 5 . 1 1 36 36 MET H H 36 8.090 8.090 7.987 0.103 18226 1591 1 5 . 1 1 37 37 LEU N N 37 120.316 120.316 118.625 1.691 18226 1592 1 5 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.177 -0.062 18226 1593 1 5 . 1 1 37 37 LEU C C 37 178.353 178.353 176.992 1.361 18226 1594 1 5 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.619 1.711 18226 1595 1 5 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.007 0.907 18226 1596 1 5 . 1 1 37 37 LEU H H 37 8.106 8.106 8.132 -0.026 18226 1597 1 5 . 1 1 38 38 VAL N N 38 118.385 118.385 116.869 1.516 18226 1598 1 5 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.983 -0.454 18226 1599 1 5 . 1 1 38 38 VAL C C 38 178.216 178.216 176.471 1.745 18226 1600 1 5 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.167 3.874 18226 1601 1 5 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.245 -0.620 18226 1602 1 5 . 1 1 38 38 VAL H H 38 8.305 8.305 7.360 0.945 18226 1603 1 5 . 1 1 39 39 PHE N N 39 120.216 120.216 120.960 -0.744 18226 1604 1 5 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.056 0.205 18226 1605 1 5 . 1 1 39 39 PHE C C 39 178.597 178.597 176.012 2.585 18226 1606 1 5 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.557 -1.237 18226 1607 1 5 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.456 -0.567 18226 1608 1 5 . 1 1 39 39 PHE H H 39 8.196 8.196 8.013 0.183 18226 1609 1 5 . 1 1 40 40 LEU N N 40 120.772 120.772 117.334 3.438 18226 1610 1 5 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.373 -0.323 18226 1611 1 5 . 1 1 40 40 LEU C C 40 179.666 179.666 176.091 3.575 18226 1612 1 5 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.410 3.496 18226 1613 1 5 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.322 1.018 18226 1614 1 5 . 1 1 40 40 LEU H H 40 8.452 8.452 7.611 0.841 18226 1615 1 5 . 1 1 41 41 LEU N N 41 119.185 119.185 120.150 -0.965 18226 1616 1 5 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.516 -0.417 18226 1617 1 5 . 1 1 41 41 LEU C C 41 178.878 178.878 176.295 2.583 18226 1618 1 5 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.387 0.999 18226 1619 1 5 . 1 1 41 41 LEU CB C 41 41.855 41.855 42.942 -1.087 18226 1620 1 5 . 1 1 41 41 LEU H H 41 8.435 8.435 8.122 0.313 18226 1621 1 5 . 1 1 42 42 GLY N N 42 105.718 105.718 107.065 -1.347 18226 1622 1 5 . 1 1 42 42 GLY C C 42 174.908 174.908 174.413 0.495 18226 1623 1 5 . 1 1 42 42 GLY CA C 42 46.642 46.642 47.212 -0.570 18226 1624 1 5 . 1 1 42 42 GLY H H 42 8.208 8.208 8.195 0.013 18226 1625 1 5 . 1 1 43 43 THR N N 43 111.959 111.959 113.678 -1.719 18226 1626 1 5 . 1 1 43 43 THR HA H 43 4.348 4.348 4.375 -0.027 18226 1627 1 5 . 1 1 43 43 THR C C 43 175.665 175.665 173.888 1.777 18226 1628 1 5 . 1 1 43 43 THR CA C 43 63.097 63.097 61.918 1.179 18226 1629 1 5 . 1 1 43 43 THR CB C 43 69.867 69.867 69.882 -0.015 18226 1630 1 5 . 1 1 43 43 THR H H 43 7.789 7.789 7.143 0.646 18226 1631 1 5 . 1 1 44 44 THR N N 44 113.271 113.271 118.177 -4.906 18226 1632 1 5 . 1 1 44 44 THR HA H 44 4.308 4.308 3.837 0.471 18226 1633 1 5 . 1 1 44 44 THR C C 44 175.754 175.754 175.374 0.380 18226 1634 1 5 . 1 1 44 44 THR CA C 44 63.194 63.194 63.379 -0.185 18226 1635 1 5 . 1 1 44 44 THR CB C 44 70.171 70.171 67.832 2.339 18226 1636 1 5 . 1 1 44 44 THR H H 44 7.833 7.833 8.531 -0.698 18226 1637 1 5 . 1 1 45 45 GLY N N 45 109.879 109.879 109.706 0.173 18226 1638 1 5 . 1 1 45 45 GLY C C 45 175.221 175.221 174.763 0.458 18226 1639 1 5 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.503 1.036 18226 1640 1 5 . 1 1 45 45 GLY H H 45 8.259 8.259 7.858 0.401 18226 1641 1 5 . 1 1 46 46 ASN N N 46 117.998 117.998 121.808 -3.810 18226 1642 1 5 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.723 -0.111 18226 1643 1 5 . 1 1 46 46 ASN C C 46 176.215 176.215 175.045 1.170 18226 1644 1 5 . 1 1 46 46 ASN CA C 46 54.840 54.840 53.240 1.600 18226 1645 1 5 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.028 0.538 18226 1646 1 5 . 1 1 46 46 ASN H H 46 8.235 8.235 8.466 -0.231 18226 1647 1 5 . 1 1 47 47 GLY N N 47 106.990 106.990 104.412 2.578 18226 1648 1 5 . 1 1 47 47 GLY C C 47 174.659 174.659 173.727 0.932 18226 1649 1 5 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.104 1.875 18226 1650 1 5 . 1 1 47 47 GLY H H 47 8.425 8.425 7.994 0.431 18226 1651 1 5 . 1 1 48 48 LEU N N 48 120.699 120.699 120.353 0.346 18226 1652 1 5 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.795 -0.495 18226 1653 1 5 . 1 1 48 48 LEU C C 48 179.482 179.482 176.004 3.478 18226 1654 1 5 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.209 2.236 18226 1655 1 5 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.816 -0.249 18226 1656 1 5 . 1 1 48 48 LEU H H 48 7.956 7.956 8.150 -0.194 18226 1657 1 5 . 1 1 49 49 VAL N N 49 120.101 120.101 119.341 0.760 18226 1658 1 5 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.034 -0.155 18226 1659 1 5 . 1 1 49 49 VAL C C 49 177.535 177.535 176.219 1.316 18226 1660 1 5 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.014 1.848 18226 1661 1 5 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.568 -0.789 18226 1662 1 5 . 1 1 49 49 VAL H H 49 7.919 7.919 7.918 0.001 18226 1663 1 5 . 1 1 50 50 LEU N N 50 119.268 119.268 116.384 2.884 18226 1664 1 5 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.565 -0.522 18226 1665 1 5 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.669 1.176 18226 1666 1 5 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.022 -0.145 18226 1667 1 5 . 1 1 50 50 LEU H H 50 7.731 7.731 7.918 -0.187 18226 1668 1 5 . 1 1 51 51 TRP N N 51 118.033 118.033 120.754 -2.721 18226 1669 1 5 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.714 -0.122 18226 1670 1 5 . 1 1 51 51 TRP C C 51 177.302 177.302 175.770 1.532 18226 1671 1 5 . 1 1 51 51 TRP CA C 51 59.789 59.789 58.242 1.547 18226 1672 1 5 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.039 1.168 18226 1673 1 5 . 1 1 51 51 TRP H H 51 8.070 8.070 8.322 -0.252 18226 1674 1 5 . 1 1 52 52 THR N N 52 113.014 113.014 113.765 -0.751 18226 1675 1 5 . 1 1 52 52 THR HA H 52 3.746 3.746 4.367 -0.621 18226 1676 1 5 . 1 1 52 52 THR C C 52 176.361 176.361 175.374 0.987 18226 1677 1 5 . 1 1 52 52 THR CA C 52 66.443 66.443 63.764 2.679 18226 1678 1 5 . 1 1 52 52 THR CB C 52 69.017 69.017 69.106 -0.089 18226 1679 1 5 . 1 1 52 52 THR H H 52 8.101 8.101 7.783 0.318 18226 1680 1 5 . 1 1 53 53 VAL N N 53 120.231 120.231 122.144 -1.913 18226 1681 1 5 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.653 0.025 18226 1682 1 5 . 1 1 53 53 VAL C C 53 177.482 177.482 176.828 0.654 18226 1683 1 5 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.311 -0.153 18226 1684 1 5 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.472 0.295 18226 1685 1 5 . 1 1 53 53 VAL H H 53 7.905 7.905 7.439 0.466 18226 1686 1 5 . 1 1 54 54 PHE N N 54 118.609 118.609 118.772 -0.163 18226 1687 1 5 . 1 1 54 54 PHE HA H 54 4.233 4.233 3.971 0.262 18226 1688 1 5 . 1 1 54 54 PHE CA C 54 60.666 60.666 60.594 0.071 18226 1689 1 5 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.796 0.462 18226 1690 1 5 . 1 1 54 54 PHE H H 54 8.025 8.025 7.830 0.195 18226 1691 1 5 . 1 1 55 55 ARG N N 55 117.305 117.305 118.550 -1.245 18226 1692 1 5 . 1 1 55 55 ARG HA H 55 3.808 3.808 3.332 0.476 18226 1693 1 5 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.568 0.142 18226 1694 1 5 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.218 -0.555 18226 1695 1 5 . 1 1 55 55 ARG H H 55 8.025 8.025 7.715 0.310 18226 1696 1 5 . 1 1 56 56 LYS N N 56 118.321 118.321 119.240 -0.919 18226 1697 1 5 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.928 0.242 18226 1698 1 5 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.967 -1.527 18226 1699 1 5 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.963 0.966 18226 1700 1 5 . 1 1 56 56 LYS H H 56 7.717 7.717 8.158 -0.441 18226 1701 1 5 . 1 1 57 57 LYS N N 57 118.349 118.349 115.930 2.419 18226 1702 1 5 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.114 0.175 18226 1703 1 5 . 1 1 57 57 LYS C C 57 176.891 176.891 176.918 -0.027 18226 1704 1 5 . 1 1 57 57 LYS CA C 57 56.373 56.373 56.846 -0.473 18226 1705 1 5 . 1 1 57 57 LYS CB C 57 32.864 32.864 33.097 -0.233 18226 1706 1 5 . 1 1 57 57 LYS H H 57 7.872 7.872 7.363 0.509 18226 1707 1 5 . 1 1 58 58 GLY N N 58 107.442 107.442 107.757 -0.315 18226 1708 1 5 . 1 1 58 58 GLY C C 58 173.263 173.263 174.121 -0.858 18226 1709 1 5 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.510 1.047 18226 1710 1 5 . 1 1 58 58 GLY H H 58 8.060 8.060 7.760 0.300 18226 1711 1 5 . 1 1 59 59 HIS N N 59 116.928 116.928 121.871 -4.943 18226 1712 1 5 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.016 0.652 18226 1713 1 5 . 1 1 59 59 HIS C C 59 173.935 173.935 173.901 0.034 18226 1714 1 5 . 1 1 59 59 HIS CA C 59 55.085 55.085 56.868 -1.783 18226 1715 1 5 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.567 -0.344 18226 1716 1 5 . 1 1 59 59 HIS H H 59 8.076 8.076 8.610 -0.534 18226 1717 1 5 . 1 1 60 60 HIS N N 60 119.187 119.187 115.683 3.504 18226 1718 1 5 . 1 1 60 60 HIS HA H 60 4.671 4.671 3.941 0.730 18226 1719 1 5 . 1 1 60 60 HIS C C 60 173.926 173.926 174.728 -0.802 18226 1720 1 5 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.070 -0.641 18226 1721 1 5 . 1 1 60 60 HIS CB C 60 29.157 29.157 29.174 -0.017 18226 1722 1 5 . 1 1 60 60 HIS H H 60 8.547 8.547 7.523 1.024 18226 1723 1 5 . 1 1 61 61 HIS N N 61 120.017 120.017 116.999 3.018 18226 1724 1 5 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.166 0.501 18226 1725 1 5 . 1 1 61 61 HIS C C 61 173.994 173.994 174.176 -0.182 18226 1726 1 5 . 1 1 61 61 HIS CA C 61 55.433 55.433 57.128 -1.695 18226 1727 1 5 . 1 1 61 61 HIS CB C 61 29.201 29.201 26.727 2.474 18226 1728 1 5 . 1 1 61 61 HIS H H 61 8.662 8.662 7.839 0.823 18226 1729 1 5 . 1 1 62 62 HIS N N 62 120.463 120.463 124.774 -4.311 18226 1730 1 5 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.734 -0.077 18226 1731 1 5 . 1 1 62 62 HIS C C 62 173.939 173.939 174.615 -0.676 18226 1732 1 5 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.857 -0.481 18226 1733 1 5 . 1 1 62 62 HIS CB C 62 29.291 29.291 29.317 -0.026 18226 1734 1 5 . 1 1 62 62 HIS H H 62 8.729 8.729 8.619 0.110 18226 1735 1 5 . 1 1 63 63 HIS N N 63 120.370 120.370 126.133 -5.763 18226 1736 1 5 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.509 0.149 18226 1737 1 5 . 1 1 63 63 HIS C C 63 173.564 173.564 174.691 -1.127 18226 1738 1 5 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.980 -0.372 18226 1739 1 5 . 1 1 63 63 HIS CB C 63 29.365 29.365 29.989 -0.624 18226 1740 1 5 . 1 1 63 63 HIS H H 63 8.619 8.619 8.857 -0.238 18226 1741 1 6 . 1 1 2 2 GLU N N 2 123.545 123.545 124.181 -0.636 18226 1742 1 6 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.091 0.295 18226 1743 1 6 . 1 1 2 2 GLU C C 2 175.742 175.742 176.411 -0.669 18226 1744 1 6 . 1 1 2 2 GLU CA C 2 56.363 56.363 58.415 -2.052 18226 1745 1 6 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.015 -0.260 18226 1746 1 6 . 1 1 2 2 GLU H H 2 8.765 8.765 8.805 -0.040 18226 1747 1 6 . 1 1 3 3 GLU N N 3 122.227 122.227 116.893 5.334 18226 1748 1 6 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.443 -0.110 18226 1749 1 6 . 1 1 3 3 GLU C C 3 176.636 176.636 175.411 1.225 18226 1750 1 6 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.560 -0.072 18226 1751 1 6 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.193 0.564 18226 1752 1 6 . 1 1 3 3 GLU H H 3 8.550 8.550 8.332 0.218 18226 1753 1 6 . 1 1 4 4 GLY N N 4 110.108 110.108 109.006 1.102 18226 1754 1 6 . 1 1 4 4 GLY C C 4 174.548 174.548 174.108 0.440 18226 1755 1 6 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.561 -0.086 18226 1756 1 6 . 1 1 4 4 GLY H H 4 8.453 8.453 7.985 0.468 18226 1757 1 6 . 1 1 5 5 GLY N N 5 108.466 108.466 112.294 -3.828 18226 1758 1 6 . 1 1 5 5 GLY C C 5 173.790 173.790 174.824 -1.034 18226 1759 1 6 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.839 0.525 18226 1760 1 6 . 1 1 5 5 GLY H H 5 8.168 8.168 8.537 -0.369 18226 1761 1 6 . 1 1 6 6 ASP N N 6 119.764 119.764 122.852 -3.088 18226 1762 1 6 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.650 -0.067 18226 1763 1 6 . 1 1 6 6 ASP C C 6 175.811 175.811 175.696 0.115 18226 1764 1 6 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.007 -0.015 18226 1765 1 6 . 1 1 6 6 ASP CB C 6 40.257 40.257 40.739 -0.482 18226 1766 1 6 . 1 1 6 6 ASP H H 6 8.187 8.187 8.047 0.140 18226 1767 1 6 . 1 1 7 7 PHE N N 7 119.941 119.941 120.186 -0.245 18226 1768 1 6 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.758 -0.192 18226 1769 1 6 . 1 1 7 7 PHE C C 7 175.636 175.636 173.639 1.997 18226 1770 1 6 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.167 -0.096 18226 1771 1 6 . 1 1 7 7 PHE CB C 7 39.319 39.319 39.875 -0.556 18226 1772 1 6 . 1 1 7 7 PHE H H 7 8.103 8.103 7.942 0.161 18226 1773 1 6 . 1 1 8 8 ASP N N 8 120.418 120.418 119.700 0.718 18226 1774 1 6 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.879 -0.342 18226 1775 1 6 . 1 1 8 8 ASP C C 8 175.548 175.548 174.661 0.887 18226 1776 1 6 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.105 0.268 18226 1777 1 6 . 1 1 8 8 ASP CB C 8 40.386 40.386 42.164 -1.778 18226 1778 1 6 . 1 1 8 8 ASP H H 8 8.177 8.177 8.371 -0.194 18226 1779 1 6 . 1 1 9 9 ASN N N 9 118.260 118.260 118.526 -0.266 18226 1780 1 6 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.810 -0.223 18226 1781 1 6 . 1 1 9 9 ASN C C 9 174.782 174.782 175.042 -0.260 18226 1782 1 6 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.455 -0.058 18226 1783 1 6 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.599 -0.837 18226 1784 1 6 . 1 1 9 9 ASN H H 9 8.057 8.057 7.921 0.136 18226 1785 1 6 . 1 1 10 10 TYR N N 10 120.145 120.145 121.146 -1.001 18226 1786 1 6 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.046 0.393 18226 1787 1 6 . 1 1 10 10 TYR C C 10 175.520 175.520 173.354 2.166 18226 1788 1 6 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.556 -1.187 18226 1789 1 6 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.438 1.311 18226 1790 1 6 . 1 1 10 10 TYR H H 10 7.951 7.951 8.624 -0.673 18226 1791 1 6 . 1 1 11 11 TYR N N 11 121.223 121.223 118.394 2.829 18226 1792 1 6 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.486 0.013 18226 1793 1 6 . 1 1 11 11 TYR C C 11 175.974 175.974 174.714 1.260 18226 1794 1 6 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.386 0.687 18226 1795 1 6 . 1 1 11 11 TYR CB C 11 38.671 38.671 39.627 -0.956 18226 1796 1 6 . 1 1 11 11 TYR H H 11 7.971 7.971 7.532 0.439 18226 1797 1 6 . 1 1 12 12 GLY N N 12 109.861 109.861 113.400 -3.539 18226 1798 1 6 . 1 1 12 12 GLY C C 12 173.775 173.775 174.378 -0.603 18226 1799 1 6 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.553 -0.173 18226 1800 1 6 . 1 1 12 12 GLY H H 12 7.769 7.769 8.073 -0.304 18226 1801 1 6 . 1 1 13 13 ALA N N 13 123.378 123.378 121.464 1.914 18226 1802 1 6 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.689 -0.387 18226 1803 1 6 . 1 1 13 13 ALA C C 13 177.509 177.509 176.169 1.340 18226 1804 1 6 . 1 1 13 13 ALA CA C 13 52.627 52.627 51.675 0.952 18226 1805 1 6 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.001 0.443 18226 1806 1 6 . 1 1 13 13 ALA H H 13 7.975 7.975 7.829 0.146 18226 1807 1 6 . 1 1 14 14 ASP N N 14 118.494 118.494 117.643 0.851 18226 1808 1 6 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.498 0.136 18226 1809 1 6 . 1 1 14 14 ASP C C 14 175.747 175.747 174.430 1.317 18226 1810 1 6 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.261 -0.259 18226 1811 1 6 . 1 1 14 14 ASP CB C 14 40.162 40.162 41.324 -1.162 18226 1812 1 6 . 1 1 14 14 ASP H H 14 8.307 8.307 8.038 0.269 18226 1813 1 6 . 1 1 15 15 ASN N N 15 118.834 118.834 116.557 2.277 18226 1814 1 6 . 1 1 15 15 ASN HA H 15 4.662 4.662 5.154 -0.492 18226 1815 1 6 . 1 1 15 15 ASN C C 15 175.258 175.258 175.513 -0.255 18226 1816 1 6 . 1 1 15 15 ASN CA C 15 53.515 53.515 52.486 1.028 18226 1817 1 6 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.228 0.529 18226 1818 1 6 . 1 1 15 15 ASN H H 15 8.221 8.221 7.554 0.667 18226 1819 1 6 . 1 1 16 16 GLN N N 16 120.413 120.413 119.735 0.678 18226 1820 1 6 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.190 0.165 18226 1821 1 6 . 1 1 16 16 GLN C C 16 176.096 176.096 176.441 -0.345 18226 1822 1 6 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.745 -1.505 18226 1823 1 6 . 1 1 16 16 GLN CB C 16 29.370 29.370 29.001 0.369 18226 1824 1 6 . 1 1 16 16 GLN H H 16 8.295 8.295 8.370 -0.075 18226 1825 1 6 . 1 1 17 17 SER N N 17 116.692 116.692 112.135 4.557 18226 1826 1 6 . 1 1 17 17 SER HA H 17 4.428 4.428 4.630 -0.202 18226 1827 1 6 . 1 1 17 17 SER C C 17 174.523 174.523 173.295 1.228 18226 1828 1 6 . 1 1 17 17 SER CA C 17 58.683 58.683 58.280 0.403 18226 1829 1 6 . 1 1 17 17 SER CB C 17 63.794 63.794 64.531 -0.737 18226 1830 1 6 . 1 1 17 17 SER H H 17 8.267 8.267 7.886 0.381 18226 1831 1 6 . 1 1 18 18 GLU N N 18 122.142 122.142 120.257 1.885 18226 1832 1 6 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.663 -0.300 18226 1833 1 6 . 1 1 18 18 GLU C C 18 175.937 175.937 175.606 0.331 18226 1834 1 6 . 1 1 18 18 GLU CA C 18 56.305 56.305 55.892 0.413 18226 1835 1 6 . 1 1 18 18 GLU CB C 18 29.506 29.506 32.421 -2.915 18226 1836 1 6 . 1 1 18 18 GLU H H 18 8.330 8.330 7.833 0.497 18226 1837 1 6 . 1 1 19 19 CYS N N 19 120.077 120.077 116.496 3.581 18226 1838 1 6 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.256 0.176 18226 1839 1 6 . 1 1 19 19 CYS C C 19 174.442 174.442 174.398 0.044 18226 1840 1 6 . 1 1 19 19 CYS CA C 19 58.613 58.613 60.131 -1.518 18226 1841 1 6 . 1 1 19 19 CYS CB C 19 27.999 27.999 28.000 -0.001 18226 1842 1 6 . 1 1 19 19 CYS H H 19 8.276 8.276 8.913 -0.637 18226 1843 1 6 . 1 1 20 20 GLU N N 20 123.369 123.369 121.322 2.047 18226 1844 1 6 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.270 0.033 18226 1845 1 6 . 1 1 20 20 GLU C C 20 175.858 175.858 174.602 1.256 18226 1846 1 6 . 1 1 20 20 GLU CA C 20 56.457 56.457 55.971 0.486 18226 1847 1 6 . 1 1 20 20 GLU CB C 20 29.150 29.150 28.610 0.540 18226 1848 1 6 . 1 1 20 20 GLU H H 20 8.400 8.400 8.584 -0.184 18226 1849 1 6 . 1 1 21 21 TYR N N 21 119.980 119.980 120.851 -0.871 18226 1850 1 6 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.708 -0.164 18226 1851 1 6 . 1 1 21 21 TYR C C 21 175.669 175.669 175.307 0.362 18226 1852 1 6 . 1 1 21 21 TYR CA C 21 58.103 58.103 57.317 0.786 18226 1853 1 6 . 1 1 21 21 TYR CB C 21 38.677 38.677 39.998 -1.321 18226 1854 1 6 . 1 1 21 21 TYR H H 21 7.991 7.991 7.726 0.265 18226 1855 1 6 . 1 1 22 22 THR N N 22 113.984 113.984 112.232 1.752 18226 1856 1 6 . 1 1 22 22 THR HA H 22 4.164 4.164 4.191 -0.027 18226 1857 1 6 . 1 1 22 22 THR C C 22 174.259 174.259 173.734 0.525 18226 1858 1 6 . 1 1 22 22 THR CA C 22 62.381 62.381 63.729 -1.348 18226 1859 1 6 . 1 1 22 22 THR CB C 22 69.551 69.551 68.275 1.276 18226 1860 1 6 . 1 1 22 22 THR H H 22 7.821 7.821 8.627 -0.806 18226 1861 1 6 . 1 1 23 23 ASP N N 23 121.930 121.930 121.114 0.816 18226 1862 1 6 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.759 -0.088 18226 1863 1 6 . 1 1 23 23 ASP C C 23 176.164 176.164 178.006 -1.842 18226 1864 1 6 . 1 1 23 23 ASP CA C 23 53.681 53.681 55.495 -1.814 18226 1865 1 6 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.898 -2.292 18226 1866 1 6 . 1 1 23 23 ASP H H 23 8.106 8.106 8.402 -0.296 18226 1867 1 6 . 1 1 24 24 TRP N N 24 121.947 121.947 120.617 1.330 18226 1868 1 6 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.380 0.102 18226 1869 1 6 . 1 1 24 24 TRP C C 24 176.496 176.496 175.655 0.841 18226 1870 1 6 . 1 1 24 24 TRP CA C 24 58.238 58.238 59.375 -1.137 18226 1871 1 6 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.037 1.152 18226 1872 1 6 . 1 1 24 24 TRP H H 24 7.991 7.991 8.495 -0.504 18226 1873 1 6 . 1 1 25 25 LYS N N 25 119.673 119.673 113.889 5.784 18226 1874 1 6 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.106 -0.117 18226 1875 1 6 . 1 1 25 25 LYS C C 25 176.770 176.770 175.314 1.456 18226 1876 1 6 . 1 1 25 25 LYS CA C 25 57.467 57.467 54.474 2.993 18226 1877 1 6 . 1 1 25 25 LYS CB C 25 31.953 31.953 30.974 0.979 18226 1878 1 6 . 1 1 25 25 LYS H H 25 7.588 7.588 6.885 0.703 18226 1879 1 6 . 1 1 26 26 SER N N 26 114.157 114.157 115.282 -1.125 18226 1880 1 6 . 1 1 26 26 SER HA H 26 4.462 4.462 4.149 0.313 18226 1881 1 6 . 1 1 26 26 SER C C 26 175.126 175.126 174.903 0.223 18226 1882 1 6 . 1 1 26 26 SER CA C 26 58.673 58.673 59.439 -0.766 18226 1883 1 6 . 1 1 26 26 SER CB C 26 63.801 63.801 62.413 1.388 18226 1884 1 6 . 1 1 26 26 SER H H 26 7.823 7.823 7.994 -0.171 18226 1885 1 6 . 1 1 27 27 SER N N 27 117.353 117.353 115.609 1.744 18226 1886 1 6 . 1 1 27 27 SER HA H 27 4.288 4.288 4.641 -0.353 18226 1887 1 6 . 1 1 27 27 SER C C 27 175.598 175.598 173.978 1.620 18226 1888 1 6 . 1 1 27 27 SER CA C 27 60.216 60.216 58.181 2.035 18226 1889 1 6 . 1 1 27 27 SER CB C 27 63.684 63.684 64.258 -0.574 18226 1890 1 6 . 1 1 27 27 SER H H 27 8.178 8.178 7.825 0.353 18226 1891 1 6 . 1 1 28 28 GLY N N 28 110.249 110.249 107.822 2.427 18226 1892 1 6 . 1 1 28 28 GLY C C 28 174.667 174.667 173.155 1.512 18226 1893 1 6 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.627 0.649 18226 1894 1 6 . 1 1 28 28 GLY H H 28 8.359 8.359 8.306 0.053 18226 1895 1 6 . 1 1 29 29 ALA N N 29 121.959 121.959 121.842 0.117 18226 1896 1 6 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.540 -0.212 18226 1897 1 6 . 1 1 29 29 ALA C C 29 177.873 177.873 176.570 1.303 18226 1898 1 6 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.503 -0.242 18226 1899 1 6 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.452 0.185 18226 1900 1 6 . 1 1 29 29 ALA H H 29 7.931 7.931 7.808 0.123 18226 1901 1 6 . 1 1 30 30 LEU N N 30 117.460 117.460 114.364 3.096 18226 1902 1 6 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.676 -0.468 18226 1903 1 6 . 1 1 30 30 LEU CA C 30 57.392 57.392 54.899 2.493 18226 1904 1 6 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.557 0.048 18226 1905 1 6 . 1 1 30 30 LEU H H 30 7.924 7.924 7.704 0.220 18226 1906 1 6 . 1 1 31 31 ILE N N 31 117.379 117.379 121.249 -3.870 18226 1907 1 6 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.295 -0.372 18226 1908 1 6 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.602 2.409 18226 1909 1 6 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.521 -1.298 18226 1910 1 6 . 1 1 31 31 ILE H H 31 8.100 8.100 7.976 0.124 18226 1911 1 6 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.575 -0.257 18226 1912 1 6 . 1 1 32 32 PRO C C 32 178.706 178.706 176.467 2.239 18226 1913 1 6 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.431 2.600 18226 1914 1 6 . 1 1 32 32 PRO CB C 32 31.267 31.267 31.033 0.234 18226 1915 1 6 . 1 1 33 33 ALA N N 33 119.040 119.040 119.658 -0.618 18226 1916 1 6 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.417 -0.222 18226 1917 1 6 . 1 1 33 33 ALA C C 33 179.052 179.052 177.225 1.827 18226 1918 1 6 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.913 2.480 18226 1919 1 6 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.227 -0.696 18226 1920 1 6 . 1 1 33 33 ALA H H 33 7.462 7.462 7.963 -0.501 18226 1921 1 6 . 1 1 34 34 ILE N N 34 118.037 118.037 114.295 3.742 18226 1922 1 6 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.204 -0.482 18226 1923 1 6 . 1 1 34 34 ILE C C 34 177.827 177.827 176.632 1.195 18226 1924 1 6 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.323 2.700 18226 1925 1 6 . 1 1 34 34 ILE CB C 34 37.341 37.341 40.099 -2.758 18226 1926 1 6 . 1 1 34 34 ILE H H 34 8.176 8.176 7.374 0.802 18226 1927 1 6 . 1 1 35 35 TYR N N 35 118.783 118.783 120.468 -1.685 18226 1928 1 6 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.489 -0.344 18226 1929 1 6 . 1 1 35 35 TYR C C 35 178.062 178.062 176.185 1.877 18226 1930 1 6 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.402 1.146 18226 1931 1 6 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.825 -0.083 18226 1932 1 6 . 1 1 35 35 TYR H H 35 8.306 8.306 8.019 0.287 18226 1933 1 6 . 1 1 36 36 MET N N 36 118.068 118.068 116.213 1.855 18226 1934 1 6 . 1 1 36 36 MET HA H 36 4.317 4.317 4.620 -0.303 18226 1935 1 6 . 1 1 36 36 MET C C 36 178.183 178.183 176.939 1.244 18226 1936 1 6 . 1 1 36 36 MET CA C 36 58.533 58.533 56.291 2.242 18226 1937 1 6 . 1 1 36 36 MET CB C 36 32.288 32.288 32.828 -0.540 18226 1938 1 6 . 1 1 36 36 MET H H 36 8.090 8.090 7.845 0.245 18226 1939 1 6 . 1 1 37 37 LEU N N 37 120.316 120.316 120.629 -0.313 18226 1940 1 6 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.236 -0.121 18226 1941 1 6 . 1 1 37 37 LEU C C 37 178.353 178.353 177.024 1.329 18226 1942 1 6 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.817 1.513 18226 1943 1 6 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.026 0.888 18226 1944 1 6 . 1 1 37 37 LEU H H 37 8.106 8.106 8.306 -0.200 18226 1945 1 6 . 1 1 38 38 VAL N N 38 118.385 118.385 117.605 0.780 18226 1946 1 6 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.042 -0.513 18226 1947 1 6 . 1 1 38 38 VAL C C 38 178.216 178.216 177.185 1.031 18226 1948 1 6 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.750 3.292 18226 1949 1 6 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.179 -0.554 18226 1950 1 6 . 1 1 38 38 VAL H H 38 8.305 8.305 7.272 1.033 18226 1951 1 6 . 1 1 39 39 PHE N N 39 120.216 120.216 122.187 -1.971 18226 1952 1 6 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.175 0.086 18226 1953 1 6 . 1 1 39 39 PHE C C 39 178.597 178.597 177.130 1.467 18226 1954 1 6 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.642 -1.322 18226 1955 1 6 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.447 -0.558 18226 1956 1 6 . 1 1 39 39 PHE H H 39 8.196 8.196 8.186 0.010 18226 1957 1 6 . 1 1 40 40 LEU N N 40 120.772 120.772 119.096 1.676 18226 1958 1 6 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.344 -0.294 18226 1959 1 6 . 1 1 40 40 LEU C C 40 179.666 179.666 175.615 4.051 18226 1960 1 6 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.582 3.324 18226 1961 1 6 . 1 1 40 40 LEU CB C 40 42.340 42.340 40.767 1.573 18226 1962 1 6 . 1 1 40 40 LEU H H 40 8.452 8.452 7.905 0.547 18226 1963 1 6 . 1 1 41 41 LEU N N 41 119.185 119.185 121.114 -1.929 18226 1964 1 6 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.464 -0.365 18226 1965 1 6 . 1 1 41 41 LEU C C 41 178.878 178.878 176.590 2.288 18226 1966 1 6 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.460 0.926 18226 1967 1 6 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.360 -1.505 18226 1968 1 6 . 1 1 41 41 LEU H H 41 8.435 8.435 7.576 0.859 18226 1969 1 6 . 1 1 42 42 GLY N N 42 105.718 105.718 105.814 -0.096 18226 1970 1 6 . 1 1 42 42 GLY C C 42 174.908 174.908 174.789 0.119 18226 1971 1 6 . 1 1 42 42 GLY CA C 42 46.642 46.642 47.190 -0.548 18226 1972 1 6 . 1 1 42 42 GLY H H 42 8.208 8.208 8.266 -0.058 18226 1973 1 6 . 1 1 43 43 THR N N 43 111.959 111.959 113.932 -1.973 18226 1974 1 6 . 1 1 43 43 THR HA H 43 4.348 4.348 4.296 0.052 18226 1975 1 6 . 1 1 43 43 THR C C 43 175.665 175.665 174.602 1.063 18226 1976 1 6 . 1 1 43 43 THR CA C 43 63.097 63.097 62.190 0.907 18226 1977 1 6 . 1 1 43 43 THR CB C 43 69.867 69.867 69.438 0.429 18226 1978 1 6 . 1 1 43 43 THR H H 43 7.789 7.789 7.361 0.428 18226 1979 1 6 . 1 1 44 44 THR N N 44 113.271 113.271 114.778 -1.507 18226 1980 1 6 . 1 1 44 44 THR HA H 44 4.308 4.308 3.882 0.426 18226 1981 1 6 . 1 1 44 44 THR C C 44 175.754 175.754 175.503 0.251 18226 1982 1 6 . 1 1 44 44 THR CA C 44 63.194 63.194 63.540 -0.346 18226 1983 1 6 . 1 1 44 44 THR CB C 44 70.171 70.171 68.229 1.942 18226 1984 1 6 . 1 1 44 44 THR H H 44 7.833 7.833 8.468 -0.635 18226 1985 1 6 . 1 1 45 45 GLY N N 45 109.879 109.879 109.729 0.150 18226 1986 1 6 . 1 1 45 45 GLY C C 45 175.221 175.221 174.102 1.119 18226 1987 1 6 . 1 1 45 45 GLY CA C 45 46.539 46.539 44.919 1.620 18226 1988 1 6 . 1 1 45 45 GLY H H 45 8.259 8.259 8.016 0.243 18226 1989 1 6 . 1 1 46 46 ASN N N 46 117.998 117.998 115.670 2.328 18226 1990 1 6 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.953 -0.341 18226 1991 1 6 . 1 1 46 46 ASN C C 46 176.215 176.215 175.675 0.540 18226 1992 1 6 . 1 1 46 46 ASN CA C 46 54.840 54.840 52.936 1.904 18226 1993 1 6 . 1 1 46 46 ASN CB C 46 38.566 38.566 39.389 -0.823 18226 1994 1 6 . 1 1 46 46 ASN H H 46 8.235 8.235 8.527 -0.292 18226 1995 1 6 . 1 1 47 47 GLY N N 47 106.990 106.990 107.804 -0.814 18226 1996 1 6 . 1 1 47 47 GLY C C 47 174.659 174.659 174.635 0.024 18226 1997 1 6 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.728 1.251 18226 1998 1 6 . 1 1 47 47 GLY H H 47 8.425 8.425 7.843 0.582 18226 1999 1 6 . 1 1 48 48 LEU N N 48 120.699 120.699 116.497 4.202 18226 2000 1 6 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.636 -0.336 18226 2001 1 6 . 1 1 48 48 LEU C C 48 179.482 179.482 176.537 2.945 18226 2002 1 6 . 1 1 48 48 LEU CA C 48 57.445 57.445 54.387 3.058 18226 2003 1 6 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.917 -0.351 18226 2004 1 6 . 1 1 48 48 LEU H H 48 7.956 7.956 7.643 0.314 18226 2005 1 6 . 1 1 49 49 VAL N N 49 120.101 120.101 116.757 3.344 18226 2006 1 6 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.008 -0.129 18226 2007 1 6 . 1 1 49 49 VAL C C 49 177.535 177.535 175.600 1.935 18226 2008 1 6 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.434 2.428 18226 2009 1 6 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.798 -1.019 18226 2010 1 6 . 1 1 49 49 VAL H H 49 7.919 7.919 7.638 0.281 18226 2011 1 6 . 1 1 50 50 LEU N N 50 119.268 119.268 118.956 0.312 18226 2012 1 6 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.430 -0.387 18226 2013 1 6 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.348 1.497 18226 2014 1 6 . 1 1 50 50 LEU CB C 50 41.877 41.877 43.567 -1.690 18226 2015 1 6 . 1 1 50 50 LEU H H 50 7.731 7.731 7.415 0.316 18226 2016 1 6 . 1 1 51 51 TRP N N 51 118.033 118.033 121.066 -3.033 18226 2017 1 6 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.343 0.249 18226 2018 1 6 . 1 1 51 51 TRP C C 51 177.302 177.302 177.474 -0.172 18226 2019 1 6 . 1 1 51 51 TRP CA C 51 59.789 59.789 60.455 -0.666 18226 2020 1 6 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.202 1.005 18226 2021 1 6 . 1 1 51 51 TRP H H 51 8.070 8.070 7.904 0.166 18226 2022 1 6 . 1 1 52 52 THR N N 52 113.014 113.014 114.814 -1.800 18226 2023 1 6 . 1 1 52 52 THR HA H 52 3.746 3.746 3.570 0.176 18226 2024 1 6 . 1 1 52 52 THR C C 52 176.361 176.361 176.264 0.097 18226 2025 1 6 . 1 1 52 52 THR CA C 52 66.443 66.443 64.484 1.960 18226 2026 1 6 . 1 1 52 52 THR CB C 52 69.017 69.017 67.829 1.188 18226 2027 1 6 . 1 1 52 52 THR H H 52 8.101 8.101 8.167 -0.066 18226 2028 1 6 . 1 1 53 53 VAL N N 53 120.231 120.231 120.920 -0.689 18226 2029 1 6 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.635 0.043 18226 2030 1 6 . 1 1 53 53 VAL C C 53 177.482 177.482 177.259 0.223 18226 2031 1 6 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.143 0.015 18226 2032 1 6 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.075 0.692 18226 2033 1 6 . 1 1 53 53 VAL H H 53 7.905 7.905 8.512 -0.607 18226 2034 1 6 . 1 1 54 54 PHE N N 54 118.609 118.609 117.170 1.439 18226 2035 1 6 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.456 -0.223 18226 2036 1 6 . 1 1 54 54 PHE CA C 54 60.666 60.666 57.865 2.801 18226 2037 1 6 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.428 0.830 18226 2038 1 6 . 1 1 54 54 PHE H H 54 8.025 8.025 7.698 0.327 18226 2039 1 6 . 1 1 55 55 ARG N N 55 117.305 117.305 119.265 -1.960 18226 2040 1 6 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.136 -0.328 18226 2041 1 6 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.360 0.350 18226 2042 1 6 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.583 -1.920 18226 2043 1 6 . 1 1 55 55 ARG H H 55 8.025 8.025 7.506 0.519 18226 2044 1 6 . 1 1 56 56 LYS N N 56 118.321 118.321 118.658 -0.337 18226 2045 1 6 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.052 0.118 18226 2046 1 6 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.554 -1.115 18226 2047 1 6 . 1 1 56 56 LYS CB C 56 32.929 32.929 32.041 0.888 18226 2048 1 6 . 1 1 56 56 LYS H H 56 7.717 7.717 7.608 0.109 18226 2049 1 6 . 1 1 57 57 LYS N N 57 118.349 118.349 118.079 0.270 18226 2050 1 6 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.111 0.178 18226 2051 1 6 . 1 1 57 57 LYS C C 57 176.891 176.891 176.286 0.605 18226 2052 1 6 . 1 1 57 57 LYS CA C 57 56.373 56.373 56.708 -0.335 18226 2053 1 6 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.867 -0.003 18226 2054 1 6 . 1 1 57 57 LYS H H 57 7.872 7.872 7.872 -0.000 18226 2055 1 6 . 1 1 58 58 GLY N N 58 107.442 107.442 106.978 0.464 18226 2056 1 6 . 1 1 58 58 GLY C C 58 173.263 173.263 174.393 -1.130 18226 2057 1 6 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.732 0.825 18226 2058 1 6 . 1 1 58 58 GLY H H 58 8.060 8.060 7.046 1.014 18226 2059 1 6 . 1 1 59 59 HIS N N 59 116.928 116.928 123.192 -6.264 18226 2060 1 6 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.257 0.411 18226 2061 1 6 . 1 1 59 59 HIS C C 59 173.935 173.935 174.704 -0.769 18226 2062 1 6 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.028 -2.943 18226 2063 1 6 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.797 -0.574 18226 2064 1 6 . 1 1 59 59 HIS H H 59 8.076 8.076 8.603 -0.527 18226 2065 1 6 . 1 1 60 60 HIS N N 60 119.187 119.187 117.953 1.234 18226 2066 1 6 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.083 0.588 18226 2067 1 6 . 1 1 60 60 HIS C C 60 173.926 173.926 174.914 -0.988 18226 2068 1 6 . 1 1 60 60 HIS CA C 60 55.429 55.429 55.709 -0.280 18226 2069 1 6 . 1 1 60 60 HIS CB C 60 29.157 29.157 30.177 -1.020 18226 2070 1 6 . 1 1 60 60 HIS H H 60 8.547 8.547 7.979 0.568 18226 2071 1 6 . 1 1 61 61 HIS N N 61 120.017 120.017 114.544 5.473 18226 2072 1 6 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.916 -0.249 18226 2073 1 6 . 1 1 61 61 HIS C C 61 173.994 173.994 173.485 0.509 18226 2074 1 6 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.713 -0.280 18226 2075 1 6 . 1 1 61 61 HIS CB C 61 29.201 29.201 28.840 0.361 18226 2076 1 6 . 1 1 61 61 HIS H H 61 8.662 8.662 7.739 0.923 18226 2077 1 6 . 1 1 62 62 HIS N N 62 120.463 120.463 121.937 -1.474 18226 2078 1 6 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.395 0.262 18226 2079 1 6 . 1 1 62 62 HIS C C 62 173.939 173.939 174.718 -0.779 18226 2080 1 6 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.645 -0.269 18226 2081 1 6 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.031 -0.740 18226 2082 1 6 . 1 1 62 62 HIS H H 62 8.729 8.729 8.523 0.206 18226 2083 1 6 . 1 1 63 63 HIS N N 63 120.370 120.370 120.271 0.099 18226 2084 1 6 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.200 0.458 18226 2085 1 6 . 1 1 63 63 HIS C C 63 173.564 173.564 174.687 -1.123 18226 2086 1 6 . 1 1 63 63 HIS CA C 63 55.608 55.608 56.809 -1.202 18226 2087 1 6 . 1 1 63 63 HIS CB C 63 29.365 29.365 29.340 0.024 18226 2088 1 6 . 1 1 63 63 HIS H H 63 8.619 8.619 8.303 0.316 18226 2089 1 7 . 1 1 2 2 GLU N N 2 123.545 123.545 122.442 1.103 18226 2090 1 7 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.546 -0.160 18226 2091 1 7 . 1 1 2 2 GLU C C 2 175.742 175.742 175.760 -0.018 18226 2092 1 7 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.457 -0.094 18226 2093 1 7 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.360 0.395 18226 2094 1 7 . 1 1 2 2 GLU H H 2 8.765 8.765 8.516 0.249 18226 2095 1 7 . 1 1 3 3 GLU N N 3 122.227 122.227 123.241 -1.014 18226 2096 1 7 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.018 0.315 18226 2097 1 7 . 1 1 3 3 GLU C C 3 176.636 176.636 176.891 -0.255 18226 2098 1 7 . 1 1 3 3 GLU CA C 3 56.488 56.488 57.985 -1.497 18226 2099 1 7 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.866 -0.109 18226 2100 1 7 . 1 1 3 3 GLU H H 3 8.550 8.550 8.711 -0.161 18226 2101 1 7 . 1 1 4 4 GLY N N 4 110.108 110.108 107.409 2.699 18226 2102 1 7 . 1 1 4 4 GLY C C 4 174.548 174.548 174.023 0.525 18226 2103 1 7 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.705 0.770 18226 2104 1 7 . 1 1 4 4 GLY H H 4 8.453 8.453 8.331 0.122 18226 2105 1 7 . 1 1 5 5 GLY N N 5 108.466 108.466 107.041 1.425 18226 2106 1 7 . 1 1 5 5 GLY C C 5 173.790 173.790 173.781 0.009 18226 2107 1 7 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.699 0.665 18226 2108 1 7 . 1 1 5 5 GLY H H 5 8.168 8.168 7.876 0.292 18226 2109 1 7 . 1 1 6 6 ASP N N 6 119.764 119.764 119.321 0.443 18226 2110 1 7 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.717 -0.134 18226 2111 1 7 . 1 1 6 6 ASP C C 6 175.811 175.811 177.075 -1.264 18226 2112 1 7 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.395 -0.403 18226 2113 1 7 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.530 -1.273 18226 2114 1 7 . 1 1 6 6 ASP H H 6 8.187 8.187 8.323 -0.136 18226 2115 1 7 . 1 1 7 7 PHE N N 7 119.941 119.941 119.368 0.573 18226 2116 1 7 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.249 0.317 18226 2117 1 7 . 1 1 7 7 PHE C C 7 175.636 175.636 174.223 1.413 18226 2118 1 7 . 1 1 7 7 PHE CA C 7 58.071 58.071 59.220 -1.149 18226 2119 1 7 . 1 1 7 7 PHE CB C 7 39.319 39.319 38.254 1.065 18226 2120 1 7 . 1 1 7 7 PHE H H 7 8.103 8.103 8.172 -0.069 18226 2121 1 7 . 1 1 8 8 ASP N N 8 120.418 120.418 120.321 0.097 18226 2122 1 7 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.529 0.008 18226 2123 1 7 . 1 1 8 8 ASP C C 8 175.548 175.548 174.835 0.713 18226 2124 1 7 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.010 0.364 18226 2125 1 7 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.141 -0.755 18226 2126 1 7 . 1 1 8 8 ASP H H 8 8.177 8.177 8.092 0.085 18226 2127 1 7 . 1 1 9 9 ASN N N 9 118.260 118.260 118.844 -0.584 18226 2128 1 7 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.673 -0.086 18226 2129 1 7 . 1 1 9 9 ASN C C 9 174.782 174.782 174.139 0.643 18226 2130 1 7 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.213 0.184 18226 2131 1 7 . 1 1 9 9 ASN CB C 9 38.762 38.762 38.279 0.483 18226 2132 1 7 . 1 1 9 9 ASN H H 9 8.057 8.057 7.603 0.454 18226 2133 1 7 . 1 1 10 10 TYR N N 10 120.145 120.145 120.743 -0.598 18226 2134 1 7 . 1 1 10 10 TYR HA H 10 4.439 4.439 3.703 0.736 18226 2135 1 7 . 1 1 10 10 TYR C C 10 175.520 175.520 174.630 0.890 18226 2136 1 7 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.494 -1.125 18226 2137 1 7 . 1 1 10 10 TYR CB C 10 38.749 38.749 36.417 2.332 18226 2138 1 7 . 1 1 10 10 TYR H H 10 7.951 7.951 8.532 -0.581 18226 2139 1 7 . 1 1 11 11 TYR N N 11 121.223 121.223 114.859 6.364 18226 2140 1 7 . 1 1 11 11 TYR HA H 11 4.499 4.499 3.811 0.688 18226 2141 1 7 . 1 1 11 11 TYR C C 11 175.974 175.974 176.343 -0.369 18226 2142 1 7 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.651 0.423 18226 2143 1 7 . 1 1 11 11 TYR CB C 11 38.671 38.671 34.807 3.864 18226 2144 1 7 . 1 1 11 11 TYR H H 11 7.971 7.971 7.240 0.731 18226 2145 1 7 . 1 1 12 12 GLY N N 12 109.861 109.861 104.741 5.120 18226 2146 1 7 . 1 1 12 12 GLY C C 12 173.775 173.775 173.983 -0.208 18226 2147 1 7 . 1 1 12 12 GLY CA C 12 45.380 45.380 46.178 -0.798 18226 2148 1 7 . 1 1 12 12 GLY H H 12 7.769 7.769 8.527 -0.758 18226 2149 1 7 . 1 1 13 13 ALA N N 13 123.378 123.378 122.046 1.332 18226 2150 1 7 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.461 -0.159 18226 2151 1 7 . 1 1 13 13 ALA C C 13 177.509 177.509 175.896 1.613 18226 2152 1 7 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.591 0.036 18226 2153 1 7 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.718 -0.274 18226 2154 1 7 . 1 1 13 13 ALA H H 13 7.975 7.975 8.211 -0.236 18226 2155 1 7 . 1 1 14 14 ASP N N 14 118.494 118.494 119.391 -0.897 18226 2156 1 7 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.363 0.271 18226 2157 1 7 . 1 1 14 14 ASP C C 14 175.747 175.747 174.354 1.393 18226 2158 1 7 . 1 1 14 14 ASP CA C 14 54.002 54.002 55.001 -0.999 18226 2159 1 7 . 1 1 14 14 ASP CB C 14 40.162 40.162 39.806 0.356 18226 2160 1 7 . 1 1 14 14 ASP H H 14 8.307 8.307 8.711 -0.404 18226 2161 1 7 . 1 1 15 15 ASN N N 15 118.834 118.834 116.472 2.362 18226 2162 1 7 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.860 -0.198 18226 2163 1 7 . 1 1 15 15 ASN C C 15 175.258 175.258 176.271 -1.013 18226 2164 1 7 . 1 1 15 15 ASN CA C 15 53.515 53.515 52.462 1.053 18226 2165 1 7 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.494 0.263 18226 2166 1 7 . 1 1 15 15 ASN H H 15 8.221 8.221 8.271 -0.050 18226 2167 1 7 . 1 1 16 16 GLN N N 16 120.413 120.413 118.275 2.138 18226 2168 1 7 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.302 0.053 18226 2169 1 7 . 1 1 16 16 GLN C C 16 176.096 176.096 175.679 0.417 18226 2170 1 7 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.355 -1.115 18226 2171 1 7 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.816 0.554 18226 2172 1 7 . 1 1 16 16 GLN H H 16 8.295 8.295 8.541 -0.246 18226 2173 1 7 . 1 1 17 17 SER N N 17 116.692 116.692 112.353 4.339 18226 2174 1 7 . 1 1 17 17 SER HA H 17 4.428 4.428 4.527 -0.099 18226 2175 1 7 . 1 1 17 17 SER C C 17 174.523 174.523 173.355 1.168 18226 2176 1 7 . 1 1 17 17 SER CA C 17 58.683 58.683 58.704 -0.021 18226 2177 1 7 . 1 1 17 17 SER CB C 17 63.794 63.794 63.410 0.384 18226 2178 1 7 . 1 1 17 17 SER H H 17 8.267 8.267 7.469 0.798 18226 2179 1 7 . 1 1 18 18 GLU N N 18 122.142 122.142 122.249 -0.107 18226 2180 1 7 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.555 -0.192 18226 2181 1 7 . 1 1 18 18 GLU C C 18 175.937 175.937 177.275 -1.338 18226 2182 1 7 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.984 -1.679 18226 2183 1 7 . 1 1 18 18 GLU CB C 18 29.506 29.506 31.234 -1.728 18226 2184 1 7 . 1 1 18 18 GLU H H 18 8.330 8.330 8.478 -0.148 18226 2185 1 7 . 1 1 19 19 CYS N N 19 120.077 120.077 117.985 2.092 18226 2186 1 7 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.784 -0.352 18226 2187 1 7 . 1 1 19 19 CYS C C 19 174.442 174.442 175.698 -1.256 18226 2188 1 7 . 1 1 19 19 CYS CA C 19 58.613 58.613 57.972 0.641 18226 2189 1 7 . 1 1 19 19 CYS CB C 19 27.999 27.999 29.876 -1.877 18226 2190 1 7 . 1 1 19 19 CYS H H 19 8.276 8.276 7.819 0.457 18226 2191 1 7 . 1 1 20 20 GLU N N 20 123.369 123.369 120.698 2.671 18226 2192 1 7 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.103 0.200 18226 2193 1 7 . 1 1 20 20 GLU C C 20 175.858 175.858 176.612 -0.754 18226 2194 1 7 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.956 -0.499 18226 2195 1 7 . 1 1 20 20 GLU CB C 20 29.150 29.150 28.835 0.315 18226 2196 1 7 . 1 1 20 20 GLU H H 20 8.400 8.400 8.478 -0.078 18226 2197 1 7 . 1 1 21 21 TYR N N 21 119.980 119.980 119.079 0.901 18226 2198 1 7 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.515 0.029 18226 2199 1 7 . 1 1 21 21 TYR C C 21 175.669 175.669 176.232 -0.563 18226 2200 1 7 . 1 1 21 21 TYR CA C 21 58.103 58.103 59.187 -1.084 18226 2201 1 7 . 1 1 21 21 TYR CB C 21 38.677 38.677 38.747 -0.070 18226 2202 1 7 . 1 1 21 21 TYR H H 21 7.991 7.991 7.979 0.012 18226 2203 1 7 . 1 1 22 22 THR N N 22 113.984 113.984 113.573 0.411 18226 2204 1 7 . 1 1 22 22 THR HA H 22 4.164 4.164 4.204 -0.040 18226 2205 1 7 . 1 1 22 22 THR C C 22 174.259 174.259 173.009 1.250 18226 2206 1 7 . 1 1 22 22 THR CA C 22 62.381 62.381 63.868 -1.487 18226 2207 1 7 . 1 1 22 22 THR CB C 22 69.551 69.551 67.146 2.405 18226 2208 1 7 . 1 1 22 22 THR H H 22 7.821 7.821 8.126 -0.305 18226 2209 1 7 . 1 1 23 23 ASP N N 23 121.930 121.930 119.162 2.768 18226 2210 1 7 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.939 -0.268 18226 2211 1 7 . 1 1 23 23 ASP C C 23 176.164 176.164 176.692 -0.528 18226 2212 1 7 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.212 -0.531 18226 2213 1 7 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.974 -2.368 18226 2214 1 7 . 1 1 23 23 ASP H H 23 8.106 8.106 8.362 -0.256 18226 2215 1 7 . 1 1 24 24 TRP N N 24 121.947 121.947 120.645 1.302 18226 2216 1 7 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.866 -0.384 18226 2217 1 7 . 1 1 24 24 TRP C C 24 176.496 176.496 175.444 1.052 18226 2218 1 7 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.567 0.671 18226 2219 1 7 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.052 0.137 18226 2220 1 7 . 1 1 24 24 TRP H H 24 7.991 7.991 8.521 -0.530 18226 2221 1 7 . 1 1 25 25 LYS N N 25 119.673 119.673 117.522 2.151 18226 2222 1 7 . 1 1 25 25 LYS HA H 25 3.989 3.989 3.956 0.033 18226 2223 1 7 . 1 1 25 25 LYS C C 25 176.770 176.770 175.581 1.189 18226 2224 1 7 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.341 2.126 18226 2225 1 7 . 1 1 25 25 LYS CB C 25 31.953 31.953 30.872 1.081 18226 2226 1 7 . 1 1 25 25 LYS H H 25 7.588 7.588 7.487 0.101 18226 2227 1 7 . 1 1 26 26 SER N N 26 114.157 114.157 114.712 -0.555 18226 2228 1 7 . 1 1 26 26 SER HA H 26 4.462 4.462 4.361 0.101 18226 2229 1 7 . 1 1 26 26 SER C C 26 175.126 175.126 173.702 1.424 18226 2230 1 7 . 1 1 26 26 SER CA C 26 58.673 58.673 58.234 0.439 18226 2231 1 7 . 1 1 26 26 SER CB C 26 63.801 63.801 64.257 -0.457 18226 2232 1 7 . 1 1 26 26 SER H H 26 7.823 7.823 7.481 0.342 18226 2233 1 7 . 1 1 27 27 SER N N 27 117.353 117.353 116.181 1.172 18226 2234 1 7 . 1 1 27 27 SER HA H 27 4.288 4.288 4.361 -0.073 18226 2235 1 7 . 1 1 27 27 SER C C 27 175.598 175.598 173.962 1.636 18226 2236 1 7 . 1 1 27 27 SER CA C 27 60.216 60.216 59.734 0.482 18226 2237 1 7 . 1 1 27 27 SER CB C 27 63.684 63.684 62.501 1.183 18226 2238 1 7 . 1 1 27 27 SER H H 27 8.178 8.178 8.457 -0.279 18226 2239 1 7 . 1 1 28 28 GLY N N 28 110.249 110.249 106.575 3.674 18226 2240 1 7 . 1 1 28 28 GLY C C 28 174.667 174.667 173.260 1.407 18226 2241 1 7 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.416 0.860 18226 2242 1 7 . 1 1 28 28 GLY H H 28 8.359 8.359 7.976 0.383 18226 2243 1 7 . 1 1 29 29 ALA N N 29 121.959 121.959 121.617 0.342 18226 2244 1 7 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.403 -0.075 18226 2245 1 7 . 1 1 29 29 ALA C C 29 177.873 177.873 176.322 1.551 18226 2246 1 7 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.385 -0.124 18226 2247 1 7 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.235 0.402 18226 2248 1 7 . 1 1 29 29 ALA H H 29 7.931 7.931 7.957 -0.026 18226 2249 1 7 . 1 1 30 30 LEU N N 30 117.460 117.460 118.791 -1.331 18226 2250 1 7 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.332 -0.124 18226 2251 1 7 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.912 1.480 18226 2252 1 7 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.134 0.471 18226 2253 1 7 . 1 1 30 30 LEU H H 30 7.924 7.924 7.951 -0.027 18226 2254 1 7 . 1 1 31 31 ILE N N 31 117.379 117.379 121.076 -3.697 18226 2255 1 7 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.247 -0.324 18226 2256 1 7 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.389 2.622 18226 2257 1 7 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.149 -0.926 18226 2258 1 7 . 1 1 31 31 ILE H H 31 8.100 8.100 8.100 -0.000 18226 2259 1 7 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.594 -0.276 18226 2260 1 7 . 1 1 32 32 PRO C C 32 178.706 178.706 175.816 2.890 18226 2261 1 7 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.224 2.807 18226 2262 1 7 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.304 0.963 18226 2263 1 7 . 1 1 33 33 ALA N N 33 119.040 119.040 121.789 -2.749 18226 2264 1 7 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.489 -0.294 18226 2265 1 7 . 1 1 33 33 ALA C C 33 179.052 179.052 177.065 1.987 18226 2266 1 7 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.326 3.067 18226 2267 1 7 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.328 -1.797 18226 2268 1 7 . 1 1 33 33 ALA H H 33 7.462 7.462 7.912 -0.450 18226 2269 1 7 . 1 1 34 34 ILE N N 34 118.037 118.037 112.169 5.868 18226 2270 1 7 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.377 -0.655 18226 2271 1 7 . 1 1 34 34 ILE C C 34 177.827 177.827 175.884 1.943 18226 2272 1 7 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.124 2.899 18226 2273 1 7 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.517 -2.176 18226 2274 1 7 . 1 1 34 34 ILE H H 34 8.176 8.176 7.424 0.752 18226 2275 1 7 . 1 1 35 35 TYR N N 35 118.783 118.783 120.612 -1.829 18226 2276 1 7 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.405 -0.260 18226 2277 1 7 . 1 1 35 35 TYR C C 35 178.062 178.062 175.506 2.556 18226 2278 1 7 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.587 0.961 18226 2279 1 7 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.099 -0.357 18226 2280 1 7 . 1 1 35 35 TYR H H 35 8.306 8.306 7.822 0.484 18226 2281 1 7 . 1 1 36 36 MET N N 36 118.068 118.068 117.318 0.750 18226 2282 1 7 . 1 1 36 36 MET HA H 36 4.317 4.317 4.634 -0.317 18226 2283 1 7 . 1 1 36 36 MET C C 36 178.183 178.183 177.195 0.988 18226 2284 1 7 . 1 1 36 36 MET CA C 36 58.533 58.533 55.949 2.584 18226 2285 1 7 . 1 1 36 36 MET CB C 36 32.288 32.288 32.723 -0.435 18226 2286 1 7 . 1 1 36 36 MET H H 36 8.090 8.090 7.544 0.546 18226 2287 1 7 . 1 1 37 37 LEU N N 37 120.316 120.316 120.302 0.014 18226 2288 1 7 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.150 -0.035 18226 2289 1 7 . 1 1 37 37 LEU C C 37 178.353 178.353 177.267 1.086 18226 2290 1 7 . 1 1 37 37 LEU CA C 37 58.330 58.330 57.196 1.134 18226 2291 1 7 . 1 1 37 37 LEU CB C 37 41.914 41.914 40.838 1.076 18226 2292 1 7 . 1 1 37 37 LEU H H 37 8.106 8.106 8.340 -0.234 18226 2293 1 7 . 1 1 38 38 VAL N N 38 118.385 118.385 116.942 1.443 18226 2294 1 7 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.942 -0.413 18226 2295 1 7 . 1 1 38 38 VAL C C 38 178.216 178.216 177.048 1.168 18226 2296 1 7 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.639 3.403 18226 2297 1 7 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.626 -1.001 18226 2298 1 7 . 1 1 38 38 VAL H H 38 8.305 8.305 7.292 1.013 18226 2299 1 7 . 1 1 39 39 PHE N N 39 120.216 120.216 121.938 -1.722 18226 2300 1 7 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.207 0.054 18226 2301 1 7 . 1 1 39 39 PHE C C 39 178.597 178.597 175.924 2.673 18226 2302 1 7 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.746 -1.426 18226 2303 1 7 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.825 -0.936 18226 2304 1 7 . 1 1 39 39 PHE H H 39 8.196 8.196 7.781 0.415 18226 2305 1 7 . 1 1 40 40 LEU N N 40 120.772 120.772 117.490 3.282 18226 2306 1 7 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.379 -0.329 18226 2307 1 7 . 1 1 40 40 LEU C C 40 179.666 179.666 176.074 3.592 18226 2308 1 7 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.530 3.376 18226 2309 1 7 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.229 1.111 18226 2310 1 7 . 1 1 40 40 LEU H H 40 8.452 8.452 7.671 0.781 18226 2311 1 7 . 1 1 41 41 LEU N N 41 119.185 119.185 120.283 -1.098 18226 2312 1 7 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.548 -0.449 18226 2313 1 7 . 1 1 41 41 LEU C C 41 178.878 178.878 176.443 2.435 18226 2314 1 7 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.264 1.122 18226 2315 1 7 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.157 -1.302 18226 2316 1 7 . 1 1 41 41 LEU H H 41 8.435 8.435 7.912 0.523 18226 2317 1 7 . 1 1 42 42 GLY N N 42 105.718 105.718 107.179 -1.461 18226 2318 1 7 . 1 1 42 42 GLY C C 42 174.908 174.908 174.345 0.563 18226 2319 1 7 . 1 1 42 42 GLY CA C 42 46.642 46.642 47.218 -0.576 18226 2320 1 7 . 1 1 42 42 GLY H H 42 8.208 8.208 8.295 -0.087 18226 2321 1 7 . 1 1 43 43 THR N N 43 111.959 111.959 112.771 -0.812 18226 2322 1 7 . 1 1 43 43 THR HA H 43 4.348 4.348 4.353 -0.005 18226 2323 1 7 . 1 1 43 43 THR C C 43 175.665 175.665 173.941 1.724 18226 2324 1 7 . 1 1 43 43 THR CA C 43 63.097 63.097 61.872 1.225 18226 2325 1 7 . 1 1 43 43 THR CB C 43 69.867 69.867 69.868 -0.001 18226 2326 1 7 . 1 1 43 43 THR H H 43 7.789 7.789 7.189 0.600 18226 2327 1 7 . 1 1 44 44 THR N N 44 113.271 113.271 118.262 -4.991 18226 2328 1 7 . 1 1 44 44 THR HA H 44 4.308 4.308 3.882 0.426 18226 2329 1 7 . 1 1 44 44 THR C C 44 175.754 175.754 175.647 0.107 18226 2330 1 7 . 1 1 44 44 THR CA C 44 63.194 63.194 63.796 -0.602 18226 2331 1 7 . 1 1 44 44 THR CB C 44 70.171 70.171 67.559 2.612 18226 2332 1 7 . 1 1 44 44 THR H H 44 7.833 7.833 8.614 -0.781 18226 2333 1 7 . 1 1 45 45 GLY N N 45 109.879 109.879 110.040 -0.161 18226 2334 1 7 . 1 1 45 45 GLY C C 45 175.221 175.221 174.863 0.358 18226 2335 1 7 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.794 0.745 18226 2336 1 7 . 1 1 45 45 GLY H H 45 8.259 8.259 8.058 0.201 18226 2337 1 7 . 1 1 46 46 ASN N N 46 117.998 117.998 121.314 -3.316 18226 2338 1 7 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.591 0.021 18226 2339 1 7 . 1 1 46 46 ASN C C 46 176.215 176.215 176.211 0.004 18226 2340 1 7 . 1 1 46 46 ASN CA C 46 54.840 54.840 54.473 0.367 18226 2341 1 7 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.203 0.364 18226 2342 1 7 . 1 1 46 46 ASN H H 46 8.235 8.235 8.515 -0.280 18226 2343 1 7 . 1 1 47 47 GLY N N 47 106.990 106.990 106.093 0.897 18226 2344 1 7 . 1 1 47 47 GLY C C 47 174.659 174.659 174.214 0.445 18226 2345 1 7 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.567 1.412 18226 2346 1 7 . 1 1 47 47 GLY H H 47 8.425 8.425 8.215 0.210 18226 2347 1 7 . 1 1 48 48 LEU N N 48 120.699 120.699 117.847 2.852 18226 2348 1 7 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.818 -0.518 18226 2349 1 7 . 1 1 48 48 LEU C C 48 179.482 179.482 176.453 3.029 18226 2350 1 7 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.665 1.780 18226 2351 1 7 . 1 1 48 48 LEU CB C 48 41.566 41.566 40.729 0.837 18226 2352 1 7 . 1 1 48 48 LEU H H 48 7.956 7.956 8.238 -0.282 18226 2353 1 7 . 1 1 49 49 VAL N N 49 120.101 120.101 117.422 2.679 18226 2354 1 7 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.197 -0.318 18226 2355 1 7 . 1 1 49 49 VAL C C 49 177.535 177.535 176.491 1.044 18226 2356 1 7 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.189 1.673 18226 2357 1 7 . 1 1 49 49 VAL CB C 49 31.779 31.779 34.558 -2.779 18226 2358 1 7 . 1 1 49 49 VAL H H 49 7.919 7.919 8.136 -0.217 18226 2359 1 7 . 1 1 50 50 LEU N N 50 119.268 119.268 116.619 2.649 18226 2360 1 7 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.735 -0.692 18226 2361 1 7 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.839 1.006 18226 2362 1 7 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.610 -0.733 18226 2363 1 7 . 1 1 50 50 LEU H H 50 7.731 7.731 7.640 0.091 18226 2364 1 7 . 1 1 51 51 TRP N N 51 118.033 118.033 121.755 -3.722 18226 2365 1 7 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.746 -0.154 18226 2366 1 7 . 1 1 51 51 TRP C C 51 177.302 177.302 176.396 0.906 18226 2367 1 7 . 1 1 51 51 TRP CA C 51 59.789 59.789 58.631 1.158 18226 2368 1 7 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.703 0.504 18226 2369 1 7 . 1 1 51 51 TRP H H 51 8.070 8.070 8.047 0.023 18226 2370 1 7 . 1 1 52 52 THR N N 52 113.014 113.014 115.729 -2.715 18226 2371 1 7 . 1 1 52 52 THR HA H 52 3.746 3.746 3.665 0.081 18226 2372 1 7 . 1 1 52 52 THR C C 52 176.361 176.361 175.950 0.411 18226 2373 1 7 . 1 1 52 52 THR CA C 52 66.443 66.443 65.512 0.931 18226 2374 1 7 . 1 1 52 52 THR CB C 52 69.017 69.017 68.456 0.561 18226 2375 1 7 . 1 1 52 52 THR H H 52 8.101 8.101 7.799 0.302 18226 2376 1 7 . 1 1 53 53 VAL N N 53 120.231 120.231 120.475 -0.244 18226 2377 1 7 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.677 0.001 18226 2378 1 7 . 1 1 53 53 VAL C C 53 177.482 177.482 177.510 -0.028 18226 2379 1 7 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.079 0.079 18226 2380 1 7 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.545 0.222 18226 2381 1 7 . 1 1 53 53 VAL H H 53 7.905 7.905 7.907 -0.002 18226 2382 1 7 . 1 1 54 54 PHE N N 54 118.609 118.609 116.090 2.519 18226 2383 1 7 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.211 0.022 18226 2384 1 7 . 1 1 54 54 PHE CA C 54 60.666 60.666 60.431 0.235 18226 2385 1 7 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.879 0.379 18226 2386 1 7 . 1 1 54 54 PHE H H 54 8.025 8.025 8.071 -0.046 18226 2387 1 7 . 1 1 55 55 ARG N N 55 117.305 117.305 119.437 -2.132 18226 2388 1 7 . 1 1 55 55 ARG HA H 55 3.808 3.808 3.973 -0.165 18226 2389 1 7 . 1 1 55 55 ARG CA C 55 57.710 57.710 58.185 -0.475 18226 2390 1 7 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.653 -0.990 18226 2391 1 7 . 1 1 55 55 ARG H H 55 8.025 8.025 7.548 0.477 18226 2392 1 7 . 1 1 56 56 LYS N N 56 118.321 118.321 119.608 -1.287 18226 2393 1 7 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.913 0.257 18226 2394 1 7 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.979 -1.539 18226 2395 1 7 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.744 1.185 18226 2396 1 7 . 1 1 56 56 LYS H H 56 7.717 7.717 8.405 -0.688 18226 2397 1 7 . 1 1 57 57 LYS N N 57 118.349 118.349 116.823 1.526 18226 2398 1 7 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.005 0.284 18226 2399 1 7 . 1 1 57 57 LYS C C 57 176.891 176.891 177.253 -0.362 18226 2400 1 7 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.741 -1.368 18226 2401 1 7 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.816 0.048 18226 2402 1 7 . 1 1 57 57 LYS H H 57 7.872 7.872 7.458 0.414 18226 2403 1 7 . 1 1 58 58 GLY N N 58 107.442 107.442 104.532 2.910 18226 2404 1 7 . 1 1 58 58 GLY C C 58 173.263 173.263 173.416 -0.153 18226 2405 1 7 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.599 0.958 18226 2406 1 7 . 1 1 58 58 GLY H H 58 8.060 8.060 8.093 -0.033 18226 2407 1 7 . 1 1 59 59 HIS N N 59 116.928 116.928 119.894 -2.966 18226 2408 1 7 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.087 0.581 18226 2409 1 7 . 1 1 59 59 HIS C C 59 173.935 173.935 174.427 -0.492 18226 2410 1 7 . 1 1 59 59 HIS CA C 59 55.085 55.085 56.653 -1.568 18226 2411 1 7 . 1 1 59 59 HIS CB C 59 29.223 29.223 27.101 2.122 18226 2412 1 7 . 1 1 59 59 HIS H H 59 8.076 8.076 7.893 0.183 18226 2413 1 7 . 1 1 60 60 HIS N N 60 119.187 119.187 112.426 6.761 18226 2414 1 7 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.078 0.593 18226 2415 1 7 . 1 1 60 60 HIS C C 60 173.926 173.926 173.518 0.408 18226 2416 1 7 . 1 1 60 60 HIS CA C 60 55.429 55.429 57.540 -2.111 18226 2417 1 7 . 1 1 60 60 HIS CB C 60 29.157 29.157 27.362 1.795 18226 2418 1 7 . 1 1 60 60 HIS H H 60 8.547 8.547 8.205 0.342 18226 2419 1 7 . 1 1 61 61 HIS N N 61 120.017 120.017 117.473 2.544 18226 2420 1 7 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.528 0.139 18226 2421 1 7 . 1 1 61 61 HIS C C 61 173.994 173.994 174.698 -0.704 18226 2422 1 7 . 1 1 61 61 HIS CA C 61 55.433 55.433 54.781 0.652 18226 2423 1 7 . 1 1 61 61 HIS CB C 61 29.201 29.201 31.756 -2.555 18226 2424 1 7 . 1 1 61 61 HIS H H 61 8.662 8.662 7.588 1.074 18226 2425 1 7 . 1 1 62 62 HIS N N 62 120.463 120.463 127.514 -7.051 18226 2426 1 7 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.511 0.146 18226 2427 1 7 . 1 1 62 62 HIS C C 62 173.939 173.939 175.137 -1.198 18226 2428 1 7 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.278 0.098 18226 2429 1 7 . 1 1 62 62 HIS CB C 62 29.291 29.291 27.730 1.561 18226 2430 1 7 . 1 1 62 62 HIS H H 62 8.729 8.729 8.429 0.300 18226 2431 1 7 . 1 1 63 63 HIS N N 63 120.370 120.370 113.979 6.391 18226 2432 1 7 . 1 1 63 63 HIS HA H 63 4.658 4.658 3.751 0.907 18226 2433 1 7 . 1 1 63 63 HIS C C 63 173.564 173.564 174.066 -0.502 18226 2434 1 7 . 1 1 63 63 HIS CA C 63 55.608 55.608 56.525 -0.917 18226 2435 1 7 . 1 1 63 63 HIS CB C 63 29.365 29.365 27.160 2.205 18226 2436 1 7 . 1 1 63 63 HIS H H 63 8.619 8.619 8.133 0.486 18226 2437 1 8 . 1 1 2 2 GLU N N 2 123.545 123.545 122.656 0.889 18226 2438 1 8 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.318 0.068 18226 2439 1 8 . 1 1 2 2 GLU C C 2 175.742 175.742 175.383 0.359 18226 2440 1 8 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.278 0.085 18226 2441 1 8 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.657 -0.902 18226 2442 1 8 . 1 1 2 2 GLU H H 2 8.765 8.765 8.707 0.058 18226 2443 1 8 . 1 1 3 3 GLU N N 3 122.227 122.227 121.540 0.687 18226 2444 1 8 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.315 0.018 18226 2445 1 8 . 1 1 3 3 GLU C C 3 176.636 176.636 176.976 -0.340 18226 2446 1 8 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.036 0.452 18226 2447 1 8 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.108 -0.351 18226 2448 1 8 . 1 1 3 3 GLU H H 3 8.550 8.550 8.950 -0.400 18226 2449 1 8 . 1 1 4 4 GLY N N 4 110.108 110.108 108.936 1.172 18226 2450 1 8 . 1 1 4 4 GLY C C 4 174.548 174.548 174.094 0.454 18226 2451 1 8 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.803 0.672 18226 2452 1 8 . 1 1 4 4 GLY H H 4 8.453 8.453 8.140 0.313 18226 2453 1 8 . 1 1 5 5 GLY N N 5 108.466 108.466 109.154 -0.688 18226 2454 1 8 . 1 1 5 5 GLY C C 5 173.790 173.790 172.516 1.274 18226 2455 1 8 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.819 0.545 18226 2456 1 8 . 1 1 5 5 GLY H H 5 8.168 8.168 7.407 0.761 18226 2457 1 8 . 1 1 6 6 ASP N N 6 119.764 119.764 118.466 1.298 18226 2458 1 8 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.452 0.131 18226 2459 1 8 . 1 1 6 6 ASP C C 6 175.811 175.811 175.078 0.733 18226 2460 1 8 . 1 1 6 6 ASP CA C 6 53.992 53.992 55.104 -1.112 18226 2461 1 8 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.336 -1.079 18226 2462 1 8 . 1 1 6 6 ASP H H 6 8.187 8.187 8.395 -0.208 18226 2463 1 8 . 1 1 7 7 PHE N N 7 119.941 119.941 117.779 2.162 18226 2464 1 8 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.913 -0.347 18226 2465 1 8 . 1 1 7 7 PHE C C 7 175.636 175.636 173.786 1.850 18226 2466 1 8 . 1 1 7 7 PHE CA C 7 58.071 58.071 57.065 1.006 18226 2467 1 8 . 1 1 7 7 PHE CB C 7 39.319 39.319 40.988 -1.669 18226 2468 1 8 . 1 1 7 7 PHE H H 7 8.103 8.103 7.824 0.279 18226 2469 1 8 . 1 1 8 8 ASP N N 8 120.418 120.418 118.770 1.648 18226 2470 1 8 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.867 -0.330 18226 2471 1 8 . 1 1 8 8 ASP C C 8 175.548 175.548 174.851 0.697 18226 2472 1 8 . 1 1 8 8 ASP CA C 8 54.373 54.373 52.858 1.515 18226 2473 1 8 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.501 -0.115 18226 2474 1 8 . 1 1 8 8 ASP H H 8 8.177 8.177 8.344 -0.167 18226 2475 1 8 . 1 1 9 9 ASN N N 9 118.260 118.260 116.514 1.746 18226 2476 1 8 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.615 -0.028 18226 2477 1 8 . 1 1 9 9 ASN C C 9 174.782 174.782 175.352 -0.570 18226 2478 1 8 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.359 0.037 18226 2479 1 8 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.617 -0.855 18226 2480 1 8 . 1 1 9 9 ASN H H 9 8.057 8.057 7.842 0.215 18226 2481 1 8 . 1 1 10 10 TYR N N 10 120.145 120.145 120.113 0.032 18226 2482 1 8 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.263 0.176 18226 2483 1 8 . 1 1 10 10 TYR C C 10 175.520 175.520 174.345 1.175 18226 2484 1 8 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.169 -0.800 18226 2485 1 8 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.830 0.919 18226 2486 1 8 . 1 1 10 10 TYR H H 10 7.951 7.951 8.335 -0.384 18226 2487 1 8 . 1 1 11 11 TYR N N 11 121.223 121.223 118.815 2.408 18226 2488 1 8 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.685 -0.186 18226 2489 1 8 . 1 1 11 11 TYR C C 11 175.974 175.974 175.041 0.933 18226 2490 1 8 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.309 0.764 18226 2491 1 8 . 1 1 11 11 TYR CB C 11 38.671 38.671 38.703 -0.031 18226 2492 1 8 . 1 1 11 11 TYR H H 11 7.971 7.971 7.641 0.330 18226 2493 1 8 . 1 1 12 12 GLY N N 12 109.861 109.861 109.949 -0.088 18226 2494 1 8 . 1 1 12 12 GLY C C 12 173.775 173.775 173.473 0.302 18226 2495 1 8 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.677 -0.297 18226 2496 1 8 . 1 1 12 12 GLY H H 12 7.769 7.769 8.381 -0.612 18226 2497 1 8 . 1 1 13 13 ALA N N 13 123.378 123.378 122.654 0.724 18226 2498 1 8 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.522 -0.220 18226 2499 1 8 . 1 1 13 13 ALA C C 13 177.509 177.509 175.255 2.254 18226 2500 1 8 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.371 0.256 18226 2501 1 8 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.390 0.054 18226 2502 1 8 . 1 1 13 13 ALA H H 13 7.975 7.975 7.783 0.192 18226 2503 1 8 . 1 1 14 14 ASP N N 14 118.494 118.494 121.087 -2.593 18226 2504 1 8 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.388 0.246 18226 2505 1 8 . 1 1 14 14 ASP C C 14 175.747 175.747 175.193 0.554 18226 2506 1 8 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.789 -0.787 18226 2507 1 8 . 1 1 14 14 ASP CB C 14 40.162 40.162 41.163 -1.001 18226 2508 1 8 . 1 1 14 14 ASP H H 14 8.307 8.307 8.353 -0.046 18226 2509 1 8 . 1 1 15 15 ASN N N 15 118.834 118.834 113.349 5.485 18226 2510 1 8 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.749 -0.087 18226 2511 1 8 . 1 1 15 15 ASN C C 15 175.258 175.258 174.270 0.988 18226 2512 1 8 . 1 1 15 15 ASN CA C 15 53.515 53.515 52.945 0.570 18226 2513 1 8 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.188 0.569 18226 2514 1 8 . 1 1 15 15 ASN H H 15 8.221 8.221 7.744 0.477 18226 2515 1 8 . 1 1 16 16 GLN N N 16 120.413 120.413 120.975 -0.562 18226 2516 1 8 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.443 -0.088 18226 2517 1 8 . 1 1 16 16 GLN C C 16 176.096 176.096 175.774 0.322 18226 2518 1 8 . 1 1 16 16 GLN CA C 16 56.240 56.240 55.933 0.307 18226 2519 1 8 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.233 1.137 18226 2520 1 8 . 1 1 16 16 GLN H H 16 8.295 8.295 8.423 -0.128 18226 2521 1 8 . 1 1 17 17 SER N N 17 116.692 116.692 113.866 2.826 18226 2522 1 8 . 1 1 17 17 SER HA H 17 4.428 4.428 4.201 0.227 18226 2523 1 8 . 1 1 17 17 SER C C 17 174.523 174.523 173.756 0.767 18226 2524 1 8 . 1 1 17 17 SER CA C 17 58.683 58.683 58.788 -0.105 18226 2525 1 8 . 1 1 17 17 SER CB C 17 63.794 63.794 62.655 1.139 18226 2526 1 8 . 1 1 17 17 SER H H 17 8.267 8.267 7.915 0.352 18226 2527 1 8 . 1 1 18 18 GLU N N 18 122.142 122.142 123.082 -0.940 18226 2528 1 8 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.459 -0.096 18226 2529 1 8 . 1 1 18 18 GLU C C 18 175.937 175.937 176.158 -0.221 18226 2530 1 8 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.419 -0.114 18226 2531 1 8 . 1 1 18 18 GLU CB C 18 29.506 29.506 29.307 0.199 18226 2532 1 8 . 1 1 18 18 GLU H H 18 8.330 8.330 8.564 -0.234 18226 2533 1 8 . 1 1 19 19 CYS N N 19 120.077 120.077 116.858 3.219 18226 2534 1 8 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.217 0.215 18226 2535 1 8 . 1 1 19 19 CYS C C 19 174.442 174.442 174.520 -0.078 18226 2536 1 8 . 1 1 19 19 CYS CA C 19 58.613 58.613 60.036 -1.423 18226 2537 1 8 . 1 1 19 19 CYS CB C 19 27.999 27.999 27.125 0.874 18226 2538 1 8 . 1 1 19 19 CYS H H 19 8.276 8.276 8.420 -0.144 18226 2539 1 8 . 1 1 20 20 GLU N N 20 123.369 123.369 121.541 1.828 18226 2540 1 8 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.292 0.011 18226 2541 1 8 . 1 1 20 20 GLU C C 20 175.858 175.858 175.076 0.782 18226 2542 1 8 . 1 1 20 20 GLU CA C 20 56.457 56.457 57.034 -0.577 18226 2543 1 8 . 1 1 20 20 GLU CB C 20 29.150 29.150 27.852 1.298 18226 2544 1 8 . 1 1 20 20 GLU H H 20 8.400 8.400 8.680 -0.280 18226 2545 1 8 . 1 1 21 21 TYR N N 21 119.980 119.980 120.536 -0.556 18226 2546 1 8 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.670 -0.126 18226 2547 1 8 . 1 1 21 21 TYR C C 21 175.669 175.669 174.910 0.759 18226 2548 1 8 . 1 1 21 21 TYR CA C 21 58.103 58.103 57.984 0.119 18226 2549 1 8 . 1 1 21 21 TYR CB C 21 38.677 38.677 39.331 -0.654 18226 2550 1 8 . 1 1 21 21 TYR H H 21 7.991 7.991 8.025 -0.034 18226 2551 1 8 . 1 1 22 22 THR N N 22 113.984 113.984 114.416 -0.432 18226 2552 1 8 . 1 1 22 22 THR HA H 22 4.164 4.164 4.229 -0.065 18226 2553 1 8 . 1 1 22 22 THR C C 22 174.259 174.259 174.212 0.047 18226 2554 1 8 . 1 1 22 22 THR CA C 22 62.381 62.381 63.624 -1.244 18226 2555 1 8 . 1 1 22 22 THR CB C 22 69.551 69.551 67.243 2.308 18226 2556 1 8 . 1 1 22 22 THR H H 22 7.821 7.821 8.404 -0.583 18226 2557 1 8 . 1 1 23 23 ASP N N 23 121.930 121.930 118.267 3.663 18226 2558 1 8 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.880 -0.209 18226 2559 1 8 . 1 1 23 23 ASP C C 23 176.164 176.164 175.803 0.361 18226 2560 1 8 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.712 -1.031 18226 2561 1 8 . 1 1 23 23 ASP CB C 23 39.606 39.606 42.343 -2.737 18226 2562 1 8 . 1 1 23 23 ASP H H 23 8.106 8.106 8.454 -0.348 18226 2563 1 8 . 1 1 24 24 TRP N N 24 121.947 121.947 119.967 1.980 18226 2564 1 8 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.860 -0.378 18226 2565 1 8 . 1 1 24 24 TRP C C 24 176.496 176.496 176.069 0.427 18226 2566 1 8 . 1 1 24 24 TRP CA C 24 58.238 58.238 58.103 0.135 18226 2567 1 8 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.511 -0.322 18226 2568 1 8 . 1 1 24 24 TRP H H 24 7.991 7.991 8.192 -0.201 18226 2569 1 8 . 1 1 25 25 LYS N N 25 119.673 119.673 117.039 2.634 18226 2570 1 8 . 1 1 25 25 LYS HA H 25 3.989 3.989 3.960 0.029 18226 2571 1 8 . 1 1 25 25 LYS C C 25 176.770 176.770 175.680 1.090 18226 2572 1 8 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.853 1.614 18226 2573 1 8 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.150 0.803 18226 2574 1 8 . 1 1 25 25 LYS H H 25 7.588 7.588 7.398 0.190 18226 2575 1 8 . 1 1 26 26 SER N N 26 114.157 114.157 114.809 -0.652 18226 2576 1 8 . 1 1 26 26 SER HA H 26 4.462 4.462 4.305 0.157 18226 2577 1 8 . 1 1 26 26 SER C C 26 175.126 175.126 175.059 0.067 18226 2578 1 8 . 1 1 26 26 SER CA C 26 58.673 58.673 58.828 -0.155 18226 2579 1 8 . 1 1 26 26 SER CB C 26 63.801 63.801 62.910 0.891 18226 2580 1 8 . 1 1 26 26 SER H H 26 7.823 7.823 7.449 0.374 18226 2581 1 8 . 1 1 27 27 SER N N 27 117.353 117.353 120.616 -3.263 18226 2582 1 8 . 1 1 27 27 SER HA H 27 4.288 4.288 4.374 -0.086 18226 2583 1 8 . 1 1 27 27 SER C C 27 175.598 175.598 174.692 0.906 18226 2584 1 8 . 1 1 27 27 SER CA C 27 60.216 60.216 57.835 2.381 18226 2585 1 8 . 1 1 27 27 SER CB C 27 63.684 63.684 62.220 1.464 18226 2586 1 8 . 1 1 27 27 SER H H 27 8.178 8.178 8.489 -0.311 18226 2587 1 8 . 1 1 28 28 GLY N N 28 110.249 110.249 107.208 3.041 18226 2588 1 8 . 1 1 28 28 GLY C C 28 174.667 174.667 173.677 0.990 18226 2589 1 8 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.143 1.133 18226 2590 1 8 . 1 1 28 28 GLY H H 28 8.359 8.359 7.951 0.408 18226 2591 1 8 . 1 1 29 29 ALA N N 29 121.959 121.959 121.938 0.021 18226 2592 1 8 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.588 -0.260 18226 2593 1 8 . 1 1 29 29 ALA C C 29 177.873 177.873 176.423 1.450 18226 2594 1 8 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.044 0.217 18226 2595 1 8 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.892 -0.255 18226 2596 1 8 . 1 1 29 29 ALA H H 29 7.931 7.931 7.722 0.209 18226 2597 1 8 . 1 1 30 30 LEU N N 30 117.460 117.460 117.171 0.289 18226 2598 1 8 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.480 -0.272 18226 2599 1 8 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.988 1.404 18226 2600 1 8 . 1 1 30 30 LEU CB C 30 42.605 42.605 43.111 -0.506 18226 2601 1 8 . 1 1 30 30 LEU H H 30 7.924 7.924 7.877 0.047 18226 2602 1 8 . 1 1 31 31 ILE N N 31 117.379 117.379 121.561 -4.182 18226 2603 1 8 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.034 -0.111 18226 2604 1 8 . 1 1 31 31 ILE CA C 31 66.011 66.011 64.314 1.697 18226 2605 1 8 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.190 -0.967 18226 2606 1 8 . 1 1 31 31 ILE H H 31 8.100 8.100 8.371 -0.271 18226 2607 1 8 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.529 -0.211 18226 2608 1 8 . 1 1 32 32 PRO C C 32 178.706 178.706 175.664 3.042 18226 2609 1 8 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.095 2.936 18226 2610 1 8 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.459 0.808 18226 2611 1 8 . 1 1 33 33 ALA N N 33 119.040 119.040 121.569 -2.529 18226 2612 1 8 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.496 -0.301 18226 2613 1 8 . 1 1 33 33 ALA C C 33 179.052 179.052 178.264 0.788 18226 2614 1 8 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.980 2.413 18226 2615 1 8 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.511 -1.980 18226 2616 1 8 . 1 1 33 33 ALA H H 33 7.462 7.462 7.550 -0.088 18226 2617 1 8 . 1 1 34 34 ILE N N 34 118.037 118.037 114.798 3.239 18226 2618 1 8 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.296 -0.574 18226 2619 1 8 . 1 1 34 34 ILE C C 34 177.827 177.827 176.577 1.250 18226 2620 1 8 . 1 1 34 34 ILE CA C 34 65.023 65.023 63.144 1.879 18226 2621 1 8 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.058 -1.717 18226 2622 1 8 . 1 1 34 34 ILE H H 34 8.176 8.176 7.571 0.605 18226 2623 1 8 . 1 1 35 35 TYR N N 35 118.783 118.783 119.527 -0.744 18226 2624 1 8 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.406 -0.261 18226 2625 1 8 . 1 1 35 35 TYR C C 35 178.062 178.062 175.388 2.674 18226 2626 1 8 . 1 1 35 35 TYR CA C 35 61.548 61.548 59.729 1.819 18226 2627 1 8 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.986 -0.244 18226 2628 1 8 . 1 1 35 35 TYR H H 35 8.306 8.306 7.752 0.554 18226 2629 1 8 . 1 1 36 36 MET N N 36 118.068 118.068 115.408 2.660 18226 2630 1 8 . 1 1 36 36 MET HA H 36 4.317 4.317 4.660 -0.343 18226 2631 1 8 . 1 1 36 36 MET C C 36 178.183 178.183 176.511 1.672 18226 2632 1 8 . 1 1 36 36 MET CA C 36 58.533 58.533 56.545 1.988 18226 2633 1 8 . 1 1 36 36 MET CB C 36 32.288 32.288 34.253 -1.965 18226 2634 1 8 . 1 1 36 36 MET H H 36 8.090 8.090 7.650 0.440 18226 2635 1 8 . 1 1 37 37 LEU N N 37 120.316 120.316 120.272 0.044 18226 2636 1 8 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.146 -0.031 18226 2637 1 8 . 1 1 37 37 LEU C C 37 178.353 178.353 177.736 0.617 18226 2638 1 8 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.685 1.645 18226 2639 1 8 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.827 0.087 18226 2640 1 8 . 1 1 37 37 LEU H H 37 8.106 8.106 8.089 0.017 18226 2641 1 8 . 1 1 38 38 VAL N N 38 118.385 118.385 115.150 3.235 18226 2642 1 8 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.103 -0.574 18226 2643 1 8 . 1 1 38 38 VAL C C 38 178.216 178.216 175.416 2.800 18226 2644 1 8 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.003 4.039 18226 2645 1 8 . 1 1 38 38 VAL CB C 38 31.625 31.625 33.417 -1.792 18226 2646 1 8 . 1 1 38 38 VAL H H 38 8.305 8.305 7.296 1.009 18226 2647 1 8 . 1 1 39 39 PHE N N 39 120.216 120.216 120.211 0.005 18226 2648 1 8 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.333 -0.072 18226 2649 1 8 . 1 1 39 39 PHE C C 39 178.597 178.597 174.538 4.059 18226 2650 1 8 . 1 1 39 39 PHE CA C 39 61.320 61.320 58.002 3.317 18226 2651 1 8 . 1 1 39 39 PHE CB C 39 38.889 38.889 37.923 0.966 18226 2652 1 8 . 1 1 39 39 PHE H H 39 8.196 8.196 8.117 0.079 18226 2653 1 8 . 1 1 40 40 LEU N N 40 120.772 120.772 119.099 1.673 18226 2654 1 8 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.247 -0.197 18226 2655 1 8 . 1 1 40 40 LEU C C 40 179.666 179.666 176.288 3.378 18226 2656 1 8 . 1 1 40 40 LEU CA C 40 57.906 57.906 55.017 2.889 18226 2657 1 8 . 1 1 40 40 LEU CB C 40 42.340 42.340 43.519 -1.179 18226 2658 1 8 . 1 1 40 40 LEU H H 40 8.452 8.452 7.168 1.284 18226 2659 1 8 . 1 1 41 41 LEU N N 41 119.185 119.185 118.398 0.787 18226 2660 1 8 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.458 -0.359 18226 2661 1 8 . 1 1 41 41 LEU C C 41 178.878 178.878 178.160 0.718 18226 2662 1 8 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.754 1.632 18226 2663 1 8 . 1 1 41 41 LEU CB C 41 41.855 41.855 42.893 -1.038 18226 2664 1 8 . 1 1 41 41 LEU H H 41 8.435 8.435 7.276 1.159 18226 2665 1 8 . 1 1 42 42 GLY N N 42 105.718 105.718 105.763 -0.045 18226 2666 1 8 . 1 1 42 42 GLY C C 42 174.908 174.908 173.762 1.146 18226 2667 1 8 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.204 0.438 18226 2668 1 8 . 1 1 42 42 GLY H H 42 8.208 8.208 7.595 0.613 18226 2669 1 8 . 1 1 43 43 THR N N 43 111.959 111.959 112.022 -0.063 18226 2670 1 8 . 1 1 43 43 THR HA H 43 4.348 4.348 4.211 0.137 18226 2671 1 8 . 1 1 43 43 THR C C 43 175.665 175.665 174.047 1.618 18226 2672 1 8 . 1 1 43 43 THR CA C 43 63.097 63.097 61.275 1.822 18226 2673 1 8 . 1 1 43 43 THR CB C 43 69.867 69.867 69.255 0.612 18226 2674 1 8 . 1 1 43 43 THR H H 43 7.789 7.789 7.049 0.740 18226 2675 1 8 . 1 1 44 44 THR N N 44 113.271 113.271 115.926 -2.655 18226 2676 1 8 . 1 1 44 44 THR HA H 44 4.308 4.308 3.848 0.460 18226 2677 1 8 . 1 1 44 44 THR C C 44 175.754 175.754 174.691 1.063 18226 2678 1 8 . 1 1 44 44 THR CA C 44 63.194 63.194 63.360 -0.166 18226 2679 1 8 . 1 1 44 44 THR CB C 44 70.171 70.171 67.356 2.815 18226 2680 1 8 . 1 1 44 44 THR H H 44 7.833 7.833 8.448 -0.615 18226 2681 1 8 . 1 1 45 45 GLY N N 45 109.879 109.879 108.608 1.271 18226 2682 1 8 . 1 1 45 45 GLY C C 45 175.221 175.221 174.879 0.342 18226 2683 1 8 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.565 0.974 18226 2684 1 8 . 1 1 45 45 GLY H H 45 8.259 8.259 7.634 0.625 18226 2685 1 8 . 1 1 46 46 ASN N N 46 117.998 117.998 122.420 -4.422 18226 2686 1 8 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.687 -0.075 18226 2687 1 8 . 1 1 46 46 ASN C C 46 176.215 176.215 176.046 0.169 18226 2688 1 8 . 1 1 46 46 ASN CA C 46 54.840 54.840 53.824 1.016 18226 2689 1 8 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.156 0.410 18226 2690 1 8 . 1 1 46 46 ASN H H 46 8.235 8.235 8.281 -0.046 18226 2691 1 8 . 1 1 47 47 GLY N N 47 106.990 106.990 105.969 1.021 18226 2692 1 8 . 1 1 47 47 GLY C C 47 174.659 174.659 174.492 0.167 18226 2693 1 8 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.064 1.915 18226 2694 1 8 . 1 1 47 47 GLY H H 47 8.425 8.425 8.126 0.299 18226 2695 1 8 . 1 1 48 48 LEU N N 48 120.699 120.699 114.427 6.272 18226 2696 1 8 . 1 1 48 48 LEU HA H 48 4.300 4.300 5.016 -0.716 18226 2697 1 8 . 1 1 48 48 LEU C C 48 179.482 179.482 176.260 3.222 18226 2698 1 8 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.581 1.864 18226 2699 1 8 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.480 -0.914 18226 2700 1 8 . 1 1 48 48 LEU H H 48 7.956 7.956 7.609 0.347 18226 2701 1 8 . 1 1 49 49 VAL N N 49 120.101 120.101 119.952 0.149 18226 2702 1 8 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.027 -0.148 18226 2703 1 8 . 1 1 49 49 VAL C C 49 177.535 177.535 176.946 0.589 18226 2704 1 8 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.462 1.400 18226 2705 1 8 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.573 -0.794 18226 2706 1 8 . 1 1 49 49 VAL H H 49 7.919 7.919 8.037 -0.118 18226 2707 1 8 . 1 1 50 50 LEU N N 50 119.268 119.268 113.793 5.475 18226 2708 1 8 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.582 -0.539 18226 2709 1 8 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.306 1.540 18226 2710 1 8 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.563 -0.686 18226 2711 1 8 . 1 1 50 50 LEU H H 50 7.731 7.731 7.654 0.077 18226 2712 1 8 . 1 1 51 51 TRP N N 51 118.033 118.033 121.786 -3.753 18226 2713 1 8 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.710 -0.118 18226 2714 1 8 . 1 1 51 51 TRP C C 51 177.302 177.302 176.837 0.465 18226 2715 1 8 . 1 1 51 51 TRP CA C 51 59.789 59.789 58.887 0.902 18226 2716 1 8 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.414 0.793 18226 2717 1 8 . 1 1 51 51 TRP H H 51 8.070 8.070 8.437 -0.367 18226 2718 1 8 . 1 1 52 52 THR N N 52 113.014 113.014 115.946 -2.932 18226 2719 1 8 . 1 1 52 52 THR HA H 52 3.746 3.746 3.944 -0.198 18226 2720 1 8 . 1 1 52 52 THR C C 52 176.361 176.361 175.345 1.016 18226 2721 1 8 . 1 1 52 52 THR CA C 52 66.443 66.443 64.650 1.793 18226 2722 1 8 . 1 1 52 52 THR CB C 52 69.017 69.017 68.221 0.796 18226 2723 1 8 . 1 1 52 52 THR H H 52 8.101 8.101 8.356 -0.255 18226 2724 1 8 . 1 1 53 53 VAL N N 53 120.231 120.231 119.758 0.473 18226 2725 1 8 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.700 -0.022 18226 2726 1 8 . 1 1 53 53 VAL C C 53 177.482 177.482 176.533 0.949 18226 2727 1 8 . 1 1 53 53 VAL CA C 53 66.158 66.158 64.999 1.159 18226 2728 1 8 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.750 0.017 18226 2729 1 8 . 1 1 53 53 VAL H H 53 7.905 7.905 7.284 0.621 18226 2730 1 8 . 1 1 54 54 PHE N N 54 118.609 118.609 117.105 1.504 18226 2731 1 8 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.225 0.008 18226 2732 1 8 . 1 1 54 54 PHE CA C 54 60.666 60.666 59.071 1.595 18226 2733 1 8 . 1 1 54 54 PHE CB C 54 39.258 39.258 39.091 0.167 18226 2734 1 8 . 1 1 54 54 PHE H H 54 8.025 8.025 7.249 0.776 18226 2735 1 8 . 1 1 55 55 ARG N N 55 117.305 117.305 119.211 -1.906 18226 2736 1 8 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.006 -0.198 18226 2737 1 8 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.360 0.350 18226 2738 1 8 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.005 -1.342 18226 2739 1 8 . 1 1 55 55 ARG H H 55 8.025 8.025 7.008 1.017 18226 2740 1 8 . 1 1 56 56 LYS N N 56 118.321 118.321 119.433 -1.112 18226 2741 1 8 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.865 0.305 18226 2742 1 8 . 1 1 56 56 LYS CA C 56 57.440 57.440 59.100 -1.660 18226 2743 1 8 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.917 1.012 18226 2744 1 8 . 1 1 56 56 LYS H H 56 7.717 7.717 7.527 0.190 18226 2745 1 8 . 1 1 57 57 LYS N N 57 118.349 118.349 116.509 1.840 18226 2746 1 8 . 1 1 57 57 LYS HA H 57 4.289 4.289 3.923 0.366 18226 2747 1 8 . 1 1 57 57 LYS C C 57 176.891 176.891 177.301 -0.410 18226 2748 1 8 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.494 -1.121 18226 2749 1 8 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.568 0.296 18226 2750 1 8 . 1 1 57 57 LYS H H 57 7.872 7.872 7.793 0.079 18226 2751 1 8 . 1 1 58 58 GLY N N 58 107.442 107.442 104.809 2.633 18226 2752 1 8 . 1 1 58 58 GLY C C 58 173.263 173.263 173.479 -0.216 18226 2753 1 8 . 1 1 58 58 GLY CA C 58 45.557 45.557 45.030 0.527 18226 2754 1 8 . 1 1 58 58 GLY H H 58 8.060 8.060 7.890 0.170 18226 2755 1 8 . 1 1 59 59 HIS N N 59 116.928 116.928 119.155 -2.227 18226 2756 1 8 . 1 1 59 59 HIS HA H 59 4.668 4.668 3.840 0.828 18226 2757 1 8 . 1 1 59 59 HIS C C 59 173.935 173.935 175.443 -1.508 18226 2758 1 8 . 1 1 59 59 HIS CA C 59 55.085 55.085 59.597 -4.512 18226 2759 1 8 . 1 1 59 59 HIS CB C 59 29.223 29.223 28.487 0.736 18226 2760 1 8 . 1 1 59 59 HIS H H 59 8.076 8.076 8.035 0.041 18226 2761 1 8 . 1 1 60 60 HIS N N 60 119.187 119.187 119.736 -0.549 18226 2762 1 8 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.662 0.009 18226 2763 1 8 . 1 1 60 60 HIS C C 60 173.926 173.926 175.136 -1.210 18226 2764 1 8 . 1 1 60 60 HIS CA C 60 55.429 55.429 57.499 -2.070 18226 2765 1 8 . 1 1 60 60 HIS CB C 60 29.157 29.157 32.152 -2.995 18226 2766 1 8 . 1 1 60 60 HIS H H 60 8.547 8.547 8.473 0.074 18226 2767 1 8 . 1 1 61 61 HIS N N 61 120.017 120.017 115.247 4.770 18226 2768 1 8 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.821 -0.154 18226 2769 1 8 . 1 1 61 61 HIS C C 61 173.994 173.994 172.885 1.109 18226 2770 1 8 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.138 0.295 18226 2771 1 8 . 1 1 61 61 HIS CB C 61 29.201 29.201 30.032 -0.831 18226 2772 1 8 . 1 1 61 61 HIS H H 61 8.662 8.662 7.532 1.130 18226 2773 1 8 . 1 1 62 62 HIS N N 62 120.463 120.463 123.205 -2.742 18226 2774 1 8 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.789 -0.132 18226 2775 1 8 . 1 1 62 62 HIS C C 62 173.939 173.939 175.145 -1.206 18226 2776 1 8 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.858 -0.482 18226 2777 1 8 . 1 1 62 62 HIS CB C 62 29.291 29.291 31.446 -2.155 18226 2778 1 8 . 1 1 62 62 HIS H H 62 8.729 8.729 8.210 0.519 18226 2779 1 8 . 1 1 63 63 HIS N N 63 120.370 120.370 125.189 -4.819 18226 2780 1 8 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.821 -0.163 18226 2781 1 8 . 1 1 63 63 HIS C C 63 173.564 173.564 175.283 -1.719 18226 2782 1 8 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.516 0.092 18226 2783 1 8 . 1 1 63 63 HIS CB C 63 29.365 29.365 28.655 0.710 18226 2784 1 8 . 1 1 63 63 HIS H H 63 8.619 8.619 8.800 -0.181 18226 2785 1 9 . 1 1 2 2 GLU N N 2 123.545 123.545 120.370 3.175 18226 2786 1 9 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.597 -0.211 18226 2787 1 9 . 1 1 2 2 GLU C C 2 175.742 175.742 175.834 -0.092 18226 2788 1 9 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.449 -0.086 18226 2789 1 9 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.602 -0.848 18226 2790 1 9 . 1 1 2 2 GLU H H 2 8.765 8.765 8.572 0.193 18226 2791 1 9 . 1 1 3 3 GLU N N 3 122.227 122.227 120.651 1.576 18226 2792 1 9 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.235 0.098 18226 2793 1 9 . 1 1 3 3 GLU C C 3 176.636 176.636 177.146 -0.510 18226 2794 1 9 . 1 1 3 3 GLU CA C 3 56.488 56.488 57.152 -0.664 18226 2795 1 9 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.691 0.066 18226 2796 1 9 . 1 1 3 3 GLU H H 3 8.550 8.550 8.441 0.109 18226 2797 1 9 . 1 1 4 4 GLY N N 4 110.108 110.108 104.838 5.270 18226 2798 1 9 . 1 1 4 4 GLY C C 4 174.548 174.548 173.258 1.290 18226 2799 1 9 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.016 0.459 18226 2800 1 9 . 1 1 4 4 GLY H H 4 8.453 8.453 8.558 -0.105 18226 2801 1 9 . 1 1 5 5 GLY N N 5 108.466 108.466 108.632 -0.166 18226 2802 1 9 . 1 1 5 5 GLY C C 5 173.790 173.790 173.084 0.706 18226 2803 1 9 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.629 -0.265 18226 2804 1 9 . 1 1 5 5 GLY H H 5 8.168 8.168 8.114 0.054 18226 2805 1 9 . 1 1 6 6 ASP N N 6 119.764 119.764 120.991 -1.227 18226 2806 1 9 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.695 -0.112 18226 2807 1 9 . 1 1 6 6 ASP C C 6 175.811 175.811 174.850 0.961 18226 2808 1 9 . 1 1 6 6 ASP CA C 6 53.992 53.992 53.752 0.240 18226 2809 1 9 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.275 -1.018 18226 2810 1 9 . 1 1 6 6 ASP H H 6 8.187 8.187 8.384 -0.197 18226 2811 1 9 . 1 1 7 7 PHE N N 7 119.941 119.941 119.843 0.098 18226 2812 1 9 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.588 -0.022 18226 2813 1 9 . 1 1 7 7 PHE C C 7 175.636 175.636 174.530 1.106 18226 2814 1 9 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.498 -0.427 18226 2815 1 9 . 1 1 7 7 PHE CB C 7 39.319 39.319 39.779 -0.460 18226 2816 1 9 . 1 1 7 7 PHE H H 7 8.103 8.103 7.661 0.442 18226 2817 1 9 . 1 1 8 8 ASP N N 8 120.418 120.418 121.277 -0.859 18226 2818 1 9 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.796 -0.259 18226 2819 1 9 . 1 1 8 8 ASP C C 8 175.548 175.548 175.003 0.545 18226 2820 1 9 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.011 0.362 18226 2821 1 9 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.139 -0.753 18226 2822 1 9 . 1 1 8 8 ASP H H 8 8.177 8.177 8.312 -0.135 18226 2823 1 9 . 1 1 9 9 ASN N N 9 118.260 118.260 116.598 1.662 18226 2824 1 9 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.229 0.358 18226 2825 1 9 . 1 1 9 9 ASN C C 9 174.782 174.782 174.498 0.284 18226 2826 1 9 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.081 0.316 18226 2827 1 9 . 1 1 9 9 ASN CB C 9 38.762 38.762 38.836 -0.074 18226 2828 1 9 . 1 1 9 9 ASN H H 9 8.057 8.057 7.943 0.114 18226 2829 1 9 . 1 1 10 10 TYR N N 10 120.145 120.145 115.938 4.207 18226 2830 1 9 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.381 0.058 18226 2831 1 9 . 1 1 10 10 TYR C C 10 175.520 175.520 175.377 0.143 18226 2832 1 9 . 1 1 10 10 TYR CA C 10 58.369 58.369 57.570 0.799 18226 2833 1 9 . 1 1 10 10 TYR CB C 10 38.749 38.749 38.863 -0.114 18226 2834 1 9 . 1 1 10 10 TYR H H 10 7.951 7.951 7.818 0.133 18226 2835 1 9 . 1 1 11 11 TYR N N 11 121.223 121.223 117.534 3.689 18226 2836 1 9 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.216 0.283 18226 2837 1 9 . 1 1 11 11 TYR C C 11 175.974 175.974 176.421 -0.447 18226 2838 1 9 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.213 -0.140 18226 2839 1 9 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.669 3.002 18226 2840 1 9 . 1 1 11 11 TYR H H 11 7.971 7.971 7.567 0.404 18226 2841 1 9 . 1 1 12 12 GLY N N 12 109.861 109.861 105.189 4.672 18226 2842 1 9 . 1 1 12 12 GLY C C 12 173.775 173.775 173.903 -0.128 18226 2843 1 9 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.102 0.278 18226 2844 1 9 . 1 1 12 12 GLY H H 12 7.769 7.769 8.347 -0.578 18226 2845 1 9 . 1 1 13 13 ALA N N 13 123.378 123.378 120.302 3.076 18226 2846 1 9 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.454 -0.152 18226 2847 1 9 . 1 1 13 13 ALA C C 13 177.509 177.509 175.745 1.764 18226 2848 1 9 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.213 0.414 18226 2849 1 9 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.946 -0.502 18226 2850 1 9 . 1 1 13 13 ALA H H 13 7.975 7.975 7.850 0.125 18226 2851 1 9 . 1 1 14 14 ASP N N 14 118.494 118.494 121.622 -3.128 18226 2852 1 9 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.751 -0.117 18226 2853 1 9 . 1 1 14 14 ASP C C 14 175.747 175.747 176.183 -0.436 18226 2854 1 9 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.869 -0.867 18226 2855 1 9 . 1 1 14 14 ASP CB C 14 40.162 40.162 41.670 -1.508 18226 2856 1 9 . 1 1 14 14 ASP H H 14 8.307 8.307 8.439 -0.132 18226 2857 1 9 . 1 1 15 15 ASN N N 15 118.834 118.834 119.017 -0.183 18226 2858 1 9 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.693 -0.031 18226 2859 1 9 . 1 1 15 15 ASN C C 15 175.258 175.258 175.700 -0.442 18226 2860 1 9 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.804 -0.289 18226 2861 1 9 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.295 0.462 18226 2862 1 9 . 1 1 15 15 ASN H H 15 8.221 8.221 8.171 0.050 18226 2863 1 9 . 1 1 16 16 GLN N N 16 120.413 120.413 126.919 -6.506 18226 2864 1 9 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.430 -0.075 18226 2865 1 9 . 1 1 16 16 GLN C C 16 176.096 176.096 174.801 1.295 18226 2866 1 9 . 1 1 16 16 GLN CA C 16 56.240 56.240 55.663 0.577 18226 2867 1 9 . 1 1 16 16 GLN CB C 16 29.370 29.370 27.635 1.735 18226 2868 1 9 . 1 1 16 16 GLN H H 16 8.295 8.295 8.674 -0.379 18226 2869 1 9 . 1 1 17 17 SER N N 17 116.692 116.692 112.058 4.634 18226 2870 1 9 . 1 1 17 17 SER HA H 17 4.428 4.428 4.181 0.247 18226 2871 1 9 . 1 1 17 17 SER C C 17 174.523 174.523 174.273 0.250 18226 2872 1 9 . 1 1 17 17 SER CA C 17 58.683 58.683 59.059 -0.376 18226 2873 1 9 . 1 1 17 17 SER CB C 17 63.794 63.794 62.361 1.433 18226 2874 1 9 . 1 1 17 17 SER H H 17 8.267 8.267 7.992 0.275 18226 2875 1 9 . 1 1 18 18 GLU N N 18 122.142 122.142 120.765 1.377 18226 2876 1 9 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.094 0.269 18226 2877 1 9 . 1 1 18 18 GLU C C 18 175.937 175.937 177.601 -1.664 18226 2878 1 9 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.973 -1.668 18226 2879 1 9 . 1 1 18 18 GLU CB C 18 29.506 29.506 29.943 -0.437 18226 2880 1 9 . 1 1 18 18 GLU H H 18 8.330 8.330 8.332 -0.002 18226 2881 1 9 . 1 1 19 19 CYS N N 19 120.077 120.077 120.363 -0.286 18226 2882 1 9 . 1 1 19 19 CYS HA H 19 4.432 4.432 3.632 0.800 18226 2883 1 9 . 1 1 19 19 CYS C C 19 174.442 174.442 174.664 -0.222 18226 2884 1 9 . 1 1 19 19 CYS CA C 19 58.613 58.613 60.152 -1.539 18226 2885 1 9 . 1 1 19 19 CYS CB C 19 27.999 27.999 26.987 1.012 18226 2886 1 9 . 1 1 19 19 CYS H H 19 8.276 8.276 8.679 -0.403 18226 2887 1 9 . 1 1 20 20 GLU N N 20 123.369 123.369 118.431 4.938 18226 2888 1 9 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.129 0.174 18226 2889 1 9 . 1 1 20 20 GLU C C 20 175.858 175.858 175.086 0.772 18226 2890 1 9 . 1 1 20 20 GLU CA C 20 56.457 56.457 58.022 -1.565 18226 2891 1 9 . 1 1 20 20 GLU CB C 20 29.150 29.150 28.479 0.671 18226 2892 1 9 . 1 1 20 20 GLU H H 20 8.400 8.400 7.862 0.538 18226 2893 1 9 . 1 1 21 21 TYR N N 21 119.980 119.980 116.193 3.787 18226 2894 1 9 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.296 0.248 18226 2895 1 9 . 1 1 21 21 TYR C C 21 175.669 175.669 175.954 -0.285 18226 2896 1 9 . 1 1 21 21 TYR CA C 21 58.103 58.103 59.054 -0.951 18226 2897 1 9 . 1 1 21 21 TYR CB C 21 38.677 38.677 36.271 2.406 18226 2898 1 9 . 1 1 21 21 TYR H H 21 7.991 7.991 7.940 0.051 18226 2899 1 9 . 1 1 22 22 THR N N 22 113.984 113.984 107.528 6.456 18226 2900 1 9 . 1 1 22 22 THR HA H 22 4.164 4.164 4.099 0.065 18226 2901 1 9 . 1 1 22 22 THR C C 22 174.259 174.259 173.597 0.662 18226 2902 1 9 . 1 1 22 22 THR CA C 22 62.381 62.381 63.650 -1.269 18226 2903 1 9 . 1 1 22 22 THR CB C 22 69.551 69.551 68.245 1.306 18226 2904 1 9 . 1 1 22 22 THR H H 22 7.821 7.821 8.375 -0.554 18226 2905 1 9 . 1 1 23 23 ASP N N 23 121.930 121.930 120.823 1.107 18226 2906 1 9 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.956 -0.285 18226 2907 1 9 . 1 1 23 23 ASP C C 23 176.164 176.164 176.342 -0.178 18226 2908 1 9 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.223 -0.542 18226 2909 1 9 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.805 -2.199 18226 2910 1 9 . 1 1 23 23 ASP H H 23 8.106 8.106 8.189 -0.083 18226 2911 1 9 . 1 1 24 24 TRP N N 24 121.947 121.947 120.272 1.675 18226 2912 1 9 . 1 1 24 24 TRP HA H 24 4.482 4.482 5.208 -0.726 18226 2913 1 9 . 1 1 24 24 TRP C C 24 176.496 176.496 175.481 1.015 18226 2914 1 9 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.826 0.412 18226 2915 1 9 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.840 0.349 18226 2916 1 9 . 1 1 24 24 TRP H H 24 7.991 7.991 7.752 0.239 18226 2917 1 9 . 1 1 25 25 LYS N N 25 119.673 119.673 115.912 3.761 18226 2918 1 9 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.133 -0.144 18226 2919 1 9 . 1 1 25 25 LYS C C 25 176.770 176.770 176.278 0.492 18226 2920 1 9 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.696 1.771 18226 2921 1 9 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.119 0.834 18226 2922 1 9 . 1 1 25 25 LYS H H 25 7.588 7.588 7.250 0.338 18226 2923 1 9 . 1 1 26 26 SER N N 26 114.157 114.157 116.062 -1.905 18226 2924 1 9 . 1 1 26 26 SER HA H 26 4.462 4.462 4.443 0.019 18226 2925 1 9 . 1 1 26 26 SER C C 26 175.126 175.126 175.436 -0.310 18226 2926 1 9 . 1 1 26 26 SER CA C 26 58.673 58.673 59.849 -1.177 18226 2927 1 9 . 1 1 26 26 SER CB C 26 63.801 63.801 64.173 -0.372 18226 2928 1 9 . 1 1 26 26 SER H H 26 7.823 7.823 7.459 0.364 18226 2929 1 9 . 1 1 27 27 SER N N 27 117.353 117.353 117.043 0.310 18226 2930 1 9 . 1 1 27 27 SER HA H 27 4.288 4.288 4.525 -0.237 18226 2931 1 9 . 1 1 27 27 SER C C 27 175.598 175.598 174.830 0.768 18226 2932 1 9 . 1 1 27 27 SER CA C 27 60.216 60.216 59.518 0.698 18226 2933 1 9 . 1 1 27 27 SER CB C 27 63.684 63.684 63.537 0.147 18226 2934 1 9 . 1 1 27 27 SER H H 27 8.178 8.178 7.603 0.575 18226 2935 1 9 . 1 1 28 28 GLY N N 28 110.249 110.249 107.512 2.737 18226 2936 1 9 . 1 1 28 28 GLY C C 28 174.667 174.667 173.219 1.448 18226 2937 1 9 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.142 1.134 18226 2938 1 9 . 1 1 28 28 GLY H H 28 8.359 8.359 7.824 0.535 18226 2939 1 9 . 1 1 29 29 ALA N N 29 121.959 121.959 122.068 -0.109 18226 2940 1 9 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.543 -0.215 18226 2941 1 9 . 1 1 29 29 ALA C C 29 177.873 177.873 176.909 0.964 18226 2942 1 9 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.766 0.495 18226 2943 1 9 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.790 -0.153 18226 2944 1 9 . 1 1 29 29 ALA H H 29 7.931 7.931 7.687 0.244 18226 2945 1 9 . 1 1 30 30 LEU N N 30 117.460 117.460 118.140 -0.680 18226 2946 1 9 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.304 -0.096 18226 2947 1 9 . 1 1 30 30 LEU CA C 30 57.392 57.392 56.015 1.377 18226 2948 1 9 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.293 0.312 18226 2949 1 9 . 1 1 30 30 LEU H H 30 7.924 7.924 7.841 0.083 18226 2950 1 9 . 1 1 31 31 ILE N N 31 117.379 117.379 120.366 -2.987 18226 2951 1 9 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.136 -0.213 18226 2952 1 9 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.605 2.406 18226 2953 1 9 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.960 -0.737 18226 2954 1 9 . 1 1 31 31 ILE H H 31 8.100 8.100 8.146 -0.046 18226 2955 1 9 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.595 -0.277 18226 2956 1 9 . 1 1 32 32 PRO C C 32 178.706 178.706 175.774 2.932 18226 2957 1 9 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.075 2.956 18226 2958 1 9 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.339 0.928 18226 2959 1 9 . 1 1 33 33 ALA N N 33 119.040 119.040 120.853 -1.813 18226 2960 1 9 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.513 -0.318 18226 2961 1 9 . 1 1 33 33 ALA C C 33 179.052 179.052 176.920 2.132 18226 2962 1 9 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.504 2.889 18226 2963 1 9 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.431 -1.900 18226 2964 1 9 . 1 1 33 33 ALA H H 33 7.462 7.462 7.902 -0.440 18226 2965 1 9 . 1 1 34 34 ILE N N 34 118.037 118.037 116.364 1.673 18226 2966 1 9 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.223 -0.501 18226 2967 1 9 . 1 1 34 34 ILE C C 34 177.827 177.827 176.645 1.182 18226 2968 1 9 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.382 2.641 18226 2969 1 9 . 1 1 34 34 ILE CB C 34 37.341 37.341 40.137 -2.796 18226 2970 1 9 . 1 1 34 34 ILE H H 34 8.176 8.176 7.551 0.625 18226 2971 1 9 . 1 1 35 35 TYR N N 35 118.783 118.783 120.082 -1.299 18226 2972 1 9 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.277 -0.132 18226 2973 1 9 . 1 1 35 35 TYR C C 35 178.062 178.062 177.676 0.386 18226 2974 1 9 . 1 1 35 35 TYR CA C 35 61.548 61.548 61.669 -0.120 18226 2975 1 9 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.224 -0.481 18226 2976 1 9 . 1 1 35 35 TYR H H 35 8.306 8.306 7.694 0.612 18226 2977 1 9 . 1 1 36 36 MET N N 36 118.068 118.068 119.524 -1.456 18226 2978 1 9 . 1 1 36 36 MET HA H 36 4.317 4.317 4.558 -0.241 18226 2979 1 9 . 1 1 36 36 MET C C 36 178.183 178.183 177.809 0.374 18226 2980 1 9 . 1 1 36 36 MET CA C 36 58.533 58.533 57.813 0.720 18226 2981 1 9 . 1 1 36 36 MET CB C 36 32.288 32.288 32.139 0.149 18226 2982 1 9 . 1 1 36 36 MET H H 36 8.090 8.090 7.946 0.144 18226 2983 1 9 . 1 1 37 37 LEU N N 37 120.316 120.316 117.464 2.852 18226 2984 1 9 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.131 -0.016 18226 2985 1 9 . 1 1 37 37 LEU C C 37 178.353 178.353 177.882 0.471 18226 2986 1 9 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.889 1.441 18226 2987 1 9 . 1 1 37 37 LEU CB C 37 41.914 41.914 40.566 1.348 18226 2988 1 9 . 1 1 37 37 LEU H H 37 8.106 8.106 8.299 -0.193 18226 2989 1 9 . 1 1 38 38 VAL N N 38 118.385 118.385 116.715 1.670 18226 2990 1 9 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.906 -0.377 18226 2991 1 9 . 1 1 38 38 VAL C C 38 178.216 178.216 177.506 0.710 18226 2992 1 9 . 1 1 38 38 VAL CA C 38 67.042 67.042 64.593 2.449 18226 2993 1 9 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.445 -0.820 18226 2994 1 9 . 1 1 38 38 VAL H H 38 8.305 8.305 7.498 0.807 18226 2995 1 9 . 1 1 39 39 PHE N N 39 120.216 120.216 121.672 -1.456 18226 2996 1 9 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.135 0.126 18226 2997 1 9 . 1 1 39 39 PHE C C 39 178.597 178.597 176.354 2.243 18226 2998 1 9 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.229 -0.909 18226 2999 1 9 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.634 -0.745 18226 3000 1 9 . 1 1 39 39 PHE H H 39 8.196 8.196 7.512 0.684 18226 3001 1 9 . 1 1 40 40 LEU N N 40 120.772 120.772 117.233 3.539 18226 3002 1 9 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.419 -0.369 18226 3003 1 9 . 1 1 40 40 LEU C C 40 179.666 179.666 176.033 3.633 18226 3004 1 9 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.874 3.032 18226 3005 1 9 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.237 1.103 18226 3006 1 9 . 1 1 40 40 LEU H H 40 8.452 8.452 7.668 0.784 18226 3007 1 9 . 1 1 41 41 LEU N N 41 119.185 119.185 120.215 -1.030 18226 3008 1 9 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.566 -0.467 18226 3009 1 9 . 1 1 41 41 LEU C C 41 178.878 178.878 176.611 2.267 18226 3010 1 9 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.314 1.072 18226 3011 1 9 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.764 -1.909 18226 3012 1 9 . 1 1 41 41 LEU H H 41 8.435 8.435 8.059 0.376 18226 3013 1 9 . 1 1 42 42 GLY N N 42 105.718 105.718 107.425 -1.707 18226 3014 1 9 . 1 1 42 42 GLY C C 42 174.908 174.908 174.359 0.549 18226 3015 1 9 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.683 -0.041 18226 3016 1 9 . 1 1 42 42 GLY H H 42 8.208 8.208 8.328 -0.120 18226 3017 1 9 . 1 1 43 43 THR N N 43 111.959 111.959 112.676 -0.717 18226 3018 1 9 . 1 1 43 43 THR HA H 43 4.348 4.348 4.205 0.143 18226 3019 1 9 . 1 1 43 43 THR C C 43 175.665 175.665 173.977 1.688 18226 3020 1 9 . 1 1 43 43 THR CA C 43 63.097 63.097 63.258 -0.161 18226 3021 1 9 . 1 1 43 43 THR CB C 43 69.867 69.867 69.350 0.517 18226 3022 1 9 . 1 1 43 43 THR H H 43 7.789 7.789 7.393 0.396 18226 3023 1 9 . 1 1 44 44 THR N N 44 113.271 113.271 114.742 -1.471 18226 3024 1 9 . 1 1 44 44 THR HA H 44 4.308 4.308 3.853 0.455 18226 3025 1 9 . 1 1 44 44 THR C C 44 175.754 175.754 175.428 0.326 18226 3026 1 9 . 1 1 44 44 THR CA C 44 63.194 63.194 63.742 -0.548 18226 3027 1 9 . 1 1 44 44 THR CB C 44 70.171 70.171 67.701 2.470 18226 3028 1 9 . 1 1 44 44 THR H H 44 7.833 7.833 7.924 -0.091 18226 3029 1 9 . 1 1 45 45 GLY N N 45 109.879 109.879 108.244 1.635 18226 3030 1 9 . 1 1 45 45 GLY C C 45 175.221 175.221 175.797 -0.576 18226 3031 1 9 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.559 0.980 18226 3032 1 9 . 1 1 45 45 GLY H H 45 8.259 8.259 7.693 0.566 18226 3033 1 9 . 1 1 46 46 ASN N N 46 117.998 117.998 120.816 -2.818 18226 3034 1 9 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.683 -0.071 18226 3035 1 9 . 1 1 46 46 ASN C C 46 176.215 176.215 176.792 -0.577 18226 3036 1 9 . 1 1 46 46 ASN CA C 46 54.840 54.840 54.744 0.096 18226 3037 1 9 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.402 0.164 18226 3038 1 9 . 1 1 46 46 ASN H H 46 8.235 8.235 8.812 -0.577 18226 3039 1 9 . 1 1 47 47 GLY N N 47 106.990 106.990 106.466 0.524 18226 3040 1 9 . 1 1 47 47 GLY C C 47 174.659 174.659 174.473 0.186 18226 3041 1 9 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.540 1.439 18226 3042 1 9 . 1 1 47 47 GLY H H 47 8.425 8.425 7.596 0.829 18226 3043 1 9 . 1 1 48 48 LEU N N 48 120.699 120.699 117.523 3.176 18226 3044 1 9 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.963 -0.663 18226 3045 1 9 . 1 1 48 48 LEU C C 48 179.482 179.482 176.609 2.873 18226 3046 1 9 . 1 1 48 48 LEU CA C 48 57.445 57.445 54.620 2.825 18226 3047 1 9 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.733 -0.166 18226 3048 1 9 . 1 1 48 48 LEU H H 48 7.956 7.956 7.357 0.599 18226 3049 1 9 . 1 1 49 49 VAL N N 49 120.101 120.101 119.168 0.933 18226 3050 1 9 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.141 -0.262 18226 3051 1 9 . 1 1 49 49 VAL C C 49 177.535 177.535 176.828 0.707 18226 3052 1 9 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.485 1.377 18226 3053 1 9 . 1 1 49 49 VAL CB C 49 31.779 31.779 33.567 -1.788 18226 3054 1 9 . 1 1 49 49 VAL H H 49 7.919 7.919 7.624 0.295 18226 3055 1 9 . 1 1 50 50 LEU N N 50 119.268 119.268 115.929 3.339 18226 3056 1 9 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.589 -0.546 18226 3057 1 9 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.548 0.297 18226 3058 1 9 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.123 -0.246 18226 3059 1 9 . 1 1 50 50 LEU H H 50 7.731 7.731 7.588 0.143 18226 3060 1 9 . 1 1 51 51 TRP N N 51 118.033 118.033 122.201 -4.168 18226 3061 1 9 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.420 0.172 18226 3062 1 9 . 1 1 51 51 TRP C C 51 177.302 177.302 177.245 0.057 18226 3063 1 9 . 1 1 51 51 TRP CA C 51 59.789 59.789 60.068 -0.279 18226 3064 1 9 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.348 0.859 18226 3065 1 9 . 1 1 51 51 TRP H H 51 8.070 8.070 7.903 0.167 18226 3066 1 9 . 1 1 52 52 THR N N 52 113.014 113.014 114.198 -1.184 18226 3067 1 9 . 1 1 52 52 THR HA H 52 3.746 3.746 3.850 -0.104 18226 3068 1 9 . 1 1 52 52 THR C C 52 176.361 176.361 176.122 0.239 18226 3069 1 9 . 1 1 52 52 THR CA C 52 66.443 66.443 66.353 0.090 18226 3070 1 9 . 1 1 52 52 THR CB C 52 69.017 69.017 68.618 0.399 18226 3071 1 9 . 1 1 52 52 THR H H 52 8.101 8.101 8.578 -0.477 18226 3072 1 9 . 1 1 53 53 VAL N N 53 120.231 120.231 120.501 -0.270 18226 3073 1 9 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.664 0.014 18226 3074 1 9 . 1 1 53 53 VAL C C 53 177.482 177.482 177.186 0.296 18226 3075 1 9 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.784 -0.627 18226 3076 1 9 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.839 -0.072 18226 3077 1 9 . 1 1 53 53 VAL H H 53 7.905 7.905 7.287 0.618 18226 3078 1 9 . 1 1 54 54 PHE N N 54 118.609 118.609 117.306 1.303 18226 3079 1 9 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.092 0.141 18226 3080 1 9 . 1 1 54 54 PHE CA C 54 60.666 60.666 60.469 0.197 18226 3081 1 9 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.672 0.586 18226 3082 1 9 . 1 1 54 54 PHE H H 54 8.025 8.025 7.682 0.343 18226 3083 1 9 . 1 1 55 55 ARG N N 55 117.305 117.305 118.008 -0.703 18226 3084 1 9 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.017 -0.209 18226 3085 1 9 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.257 0.453 18226 3086 1 9 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.831 -1.168 18226 3087 1 9 . 1 1 55 55 ARG H H 55 8.025 8.025 7.270 0.755 18226 3088 1 9 . 1 1 56 56 LYS N N 56 118.321 118.321 121.473 -3.152 18226 3089 1 9 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.096 0.074 18226 3090 1 9 . 1 1 56 56 LYS CA C 56 57.440 57.440 59.725 -2.285 18226 3091 1 9 . 1 1 56 56 LYS CB C 56 32.929 32.929 32.228 0.701 18226 3092 1 9 . 1 1 56 56 LYS H H 56 7.717 7.717 8.156 -0.439 18226 3093 1 9 . 1 1 57 57 LYS N N 57 118.349 118.349 116.634 1.715 18226 3094 1 9 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.082 0.207 18226 3095 1 9 . 1 1 57 57 LYS C C 57 176.891 176.891 177.246 -0.355 18226 3096 1 9 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.603 -1.230 18226 3097 1 9 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.501 0.363 18226 3098 1 9 . 1 1 57 57 LYS H H 57 7.872 7.872 7.401 0.471 18226 3099 1 9 . 1 1 58 58 GLY N N 58 107.442 107.442 106.738 0.704 18226 3100 1 9 . 1 1 58 58 GLY C C 58 173.263 173.263 173.607 -0.344 18226 3101 1 9 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.974 0.583 18226 3102 1 9 . 1 1 58 58 GLY H H 58 8.060 8.060 7.825 0.235 18226 3103 1 9 . 1 1 59 59 HIS N N 59 116.928 116.928 120.293 -3.365 18226 3104 1 9 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.097 0.571 18226 3105 1 9 . 1 1 59 59 HIS C C 59 173.935 173.935 175.669 -1.734 18226 3106 1 9 . 1 1 59 59 HIS CA C 59 55.085 55.085 59.416 -4.331 18226 3107 1 9 . 1 1 59 59 HIS CB C 59 29.223 29.223 30.371 -1.148 18226 3108 1 9 . 1 1 59 59 HIS H H 59 8.076 8.076 8.471 -0.395 18226 3109 1 9 . 1 1 60 60 HIS N N 60 119.187 119.187 114.136 5.051 18226 3110 1 9 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.635 0.036 18226 3111 1 9 . 1 1 60 60 HIS C C 60 173.926 173.926 174.208 -0.282 18226 3112 1 9 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.594 -1.165 18226 3113 1 9 . 1 1 60 60 HIS CB C 60 29.157 29.157 31.430 -2.273 18226 3114 1 9 . 1 1 60 60 HIS H H 60 8.547 8.547 8.161 0.386 18226 3115 1 9 . 1 1 61 61 HIS N N 61 120.017 120.017 117.110 2.907 18226 3116 1 9 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.518 0.149 18226 3117 1 9 . 1 1 61 61 HIS C C 61 173.994 173.994 173.850 0.144 18226 3118 1 9 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.733 -0.300 18226 3119 1 9 . 1 1 61 61 HIS CB C 61 29.201 29.201 30.488 -1.287 18226 3120 1 9 . 1 1 61 61 HIS H H 61 8.662 8.662 8.131 0.531 18226 3121 1 9 . 1 1 62 62 HIS N N 62 120.463 120.463 123.786 -3.323 18226 3122 1 9 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.386 0.271 18226 3123 1 9 . 1 1 62 62 HIS C C 62 173.939 173.939 175.102 -1.163 18226 3124 1 9 . 1 1 62 62 HIS CA C 62 55.376 55.376 56.804 -1.428 18226 3125 1 9 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.219 -0.928 18226 3126 1 9 . 1 1 62 62 HIS H H 62 8.729 8.729 8.394 0.335 18226 3127 1 9 . 1 1 63 63 HIS N N 63 120.370 120.370 116.962 3.408 18226 3128 1 9 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.127 0.531 18226 3129 1 9 . 1 1 63 63 HIS C C 63 173.564 173.564 174.014 -0.450 18226 3130 1 9 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.611 -0.003 18226 3131 1 9 . 1 1 63 63 HIS CB C 63 29.365 29.365 28.360 1.005 18226 3132 1 9 . 1 1 63 63 HIS H H 63 8.619 8.619 8.140 0.479 18226 3133 1 10 . 1 1 2 2 GLU N N 2 123.545 123.545 123.761 -0.216 18226 3134 1 10 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.405 -0.019 18226 3135 1 10 . 1 1 2 2 GLU C C 2 175.742 175.742 175.903 -0.161 18226 3136 1 10 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.814 -0.451 18226 3137 1 10 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.059 -0.305 18226 3138 1 10 . 1 1 2 2 GLU H H 2 8.765 8.765 8.749 0.016 18226 3139 1 10 . 1 1 3 3 GLU N N 3 122.227 122.227 123.836 -1.609 18226 3140 1 10 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.508 -0.175 18226 3141 1 10 . 1 1 3 3 GLU C C 3 176.636 176.636 176.864 -0.228 18226 3142 1 10 . 1 1 3 3 GLU CA C 3 56.488 56.488 55.940 0.548 18226 3143 1 10 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.073 -0.317 18226 3144 1 10 . 1 1 3 3 GLU H H 3 8.550 8.550 9.003 -0.453 18226 3145 1 10 . 1 1 4 4 GLY N N 4 110.108 110.108 106.902 3.206 18226 3146 1 10 . 1 1 4 4 GLY C C 4 174.548 174.548 173.326 1.222 18226 3147 1 10 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.958 0.517 18226 3148 1 10 . 1 1 4 4 GLY H H 4 8.453 8.453 7.994 0.459 18226 3149 1 10 . 1 1 5 5 GLY N N 5 108.466 108.466 109.754 -1.288 18226 3150 1 10 . 1 1 5 5 GLY C C 5 173.790 173.790 172.920 0.870 18226 3151 1 10 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.155 0.209 18226 3152 1 10 . 1 1 5 5 GLY H H 5 8.168 8.168 7.340 0.828 18226 3153 1 10 . 1 1 6 6 ASP N N 6 119.764 119.764 120.713 -0.949 18226 3154 1 10 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.586 -0.003 18226 3155 1 10 . 1 1 6 6 ASP C C 6 175.811 175.811 175.725 0.086 18226 3156 1 10 . 1 1 6 6 ASP CA C 6 53.992 53.992 53.291 0.701 18226 3157 1 10 . 1 1 6 6 ASP CB C 6 40.257 40.257 40.848 -0.591 18226 3158 1 10 . 1 1 6 6 ASP H H 6 8.187 8.187 8.144 0.043 18226 3159 1 10 . 1 1 7 7 PHE N N 7 119.941 119.941 115.844 4.097 18226 3160 1 10 . 1 1 7 7 PHE HA H 7 4.566 4.566 3.992 0.574 18226 3161 1 10 . 1 1 7 7 PHE C C 7 175.636 175.636 173.917 1.719 18226 3162 1 10 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.222 -0.151 18226 3163 1 10 . 1 1 7 7 PHE CB C 7 39.319 39.319 36.380 2.939 18226 3164 1 10 . 1 1 7 7 PHE H H 7 8.103 8.103 7.303 0.800 18226 3165 1 10 . 1 1 8 8 ASP N N 8 120.418 120.418 118.798 1.620 18226 3166 1 10 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.760 -0.223 18226 3167 1 10 . 1 1 8 8 ASP C C 8 175.548 175.548 175.609 -0.061 18226 3168 1 10 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.302 0.071 18226 3169 1 10 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.307 -0.921 18226 3170 1 10 . 1 1 8 8 ASP H H 8 8.177 8.177 8.068 0.109 18226 3171 1 10 . 1 1 9 9 ASN N N 9 118.260 118.260 117.311 0.949 18226 3172 1 10 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.933 -0.346 18226 3173 1 10 . 1 1 9 9 ASN C C 9 174.782 174.782 173.493 1.289 18226 3174 1 10 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.756 -0.359 18226 3175 1 10 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.533 -0.771 18226 3176 1 10 . 1 1 9 9 ASN H H 9 8.057 8.057 8.295 -0.238 18226 3177 1 10 . 1 1 10 10 TYR N N 10 120.145 120.145 118.191 1.954 18226 3178 1 10 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.661 -0.222 18226 3179 1 10 . 1 1 10 10 TYR C C 10 175.520 175.520 174.502 1.018 18226 3180 1 10 . 1 1 10 10 TYR CA C 10 58.369 58.369 58.384 -0.015 18226 3181 1 10 . 1 1 10 10 TYR CB C 10 38.749 38.749 40.203 -1.454 18226 3182 1 10 . 1 1 10 10 TYR H H 10 7.951 7.951 8.021 -0.070 18226 3183 1 10 . 1 1 11 11 TYR N N 11 121.223 121.223 122.102 -0.879 18226 3184 1 10 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.410 0.089 18226 3185 1 10 . 1 1 11 11 TYR C C 11 175.974 175.974 176.409 -0.435 18226 3186 1 10 . 1 1 11 11 TYR CA C 11 58.073 58.073 59.308 -1.235 18226 3187 1 10 . 1 1 11 11 TYR CB C 11 38.671 38.671 36.746 1.925 18226 3188 1 10 . 1 1 11 11 TYR H H 11 7.971 7.971 8.362 -0.391 18226 3189 1 10 . 1 1 12 12 GLY N N 12 109.861 109.861 112.462 -2.601 18226 3190 1 10 . 1 1 12 12 GLY C C 12 173.775 173.775 172.980 0.795 18226 3191 1 10 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.381 -0.001 18226 3192 1 10 . 1 1 12 12 GLY H H 12 7.769 7.769 7.918 -0.149 18226 3193 1 10 . 1 1 13 13 ALA N N 13 123.378 123.378 123.758 -0.380 18226 3194 1 10 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.285 0.017 18226 3195 1 10 . 1 1 13 13 ALA C C 13 177.509 177.509 176.084 1.425 18226 3196 1 10 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.194 0.433 18226 3197 1 10 . 1 1 13 13 ALA CB C 13 19.444 19.444 18.985 0.459 18226 3198 1 10 . 1 1 13 13 ALA H H 13 7.975 7.975 7.831 0.144 18226 3199 1 10 . 1 1 14 14 ASP N N 14 118.494 118.494 120.746 -2.252 18226 3200 1 10 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.505 0.129 18226 3201 1 10 . 1 1 14 14 ASP C C 14 175.747 175.747 176.246 -0.499 18226 3202 1 10 . 1 1 14 14 ASP CA C 14 54.002 54.002 55.925 -1.923 18226 3203 1 10 . 1 1 14 14 ASP CB C 14 40.162 40.162 41.404 -1.242 18226 3204 1 10 . 1 1 14 14 ASP H H 14 8.307 8.307 8.922 -0.615 18226 3205 1 10 . 1 1 15 15 ASN N N 15 118.834 118.834 115.381 3.453 18226 3206 1 10 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.821 -0.159 18226 3207 1 10 . 1 1 15 15 ASN C C 15 175.258 175.258 175.109 0.149 18226 3208 1 10 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.575 -0.060 18226 3209 1 10 . 1 1 15 15 ASN CB C 15 38.757 38.757 37.568 1.189 18226 3210 1 10 . 1 1 15 15 ASN H H 15 8.221 8.221 8.303 -0.082 18226 3211 1 10 . 1 1 16 16 GLN N N 16 120.413 120.413 120.094 0.319 18226 3212 1 10 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.208 0.147 18226 3213 1 10 . 1 1 16 16 GLN C C 16 176.096 176.096 175.525 0.571 18226 3214 1 10 . 1 1 16 16 GLN CA C 16 56.240 56.240 56.000 0.240 18226 3215 1 10 . 1 1 16 16 GLN CB C 16 29.370 29.370 27.831 1.539 18226 3216 1 10 . 1 1 16 16 GLN H H 16 8.295 8.295 8.569 -0.274 18226 3217 1 10 . 1 1 17 17 SER N N 17 116.692 116.692 111.144 5.548 18226 3218 1 10 . 1 1 17 17 SER HA H 17 4.428 4.428 4.294 0.134 18226 3219 1 10 . 1 1 17 17 SER C C 17 174.523 174.523 173.782 0.741 18226 3220 1 10 . 1 1 17 17 SER CA C 17 58.683 58.683 58.575 0.108 18226 3221 1 10 . 1 1 17 17 SER CB C 17 63.794 63.794 61.808 1.986 18226 3222 1 10 . 1 1 17 17 SER H H 17 8.267 8.267 8.178 0.089 18226 3223 1 10 . 1 1 18 18 GLU N N 18 122.142 122.142 120.217 1.925 18226 3224 1 10 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.211 0.152 18226 3225 1 10 . 1 1 18 18 GLU C C 18 175.937 175.937 176.390 -0.453 18226 3226 1 10 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.639 -1.334 18226 3227 1 10 . 1 1 18 18 GLU CB C 18 29.506 29.506 30.384 -0.878 18226 3228 1 10 . 1 1 18 18 GLU H H 18 8.330 8.330 8.078 0.252 18226 3229 1 10 . 1 1 19 19 CYS N N 19 120.077 120.077 115.794 4.283 18226 3230 1 10 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.200 0.232 18226 3231 1 10 . 1 1 19 19 CYS C C 19 174.442 174.442 174.124 0.318 18226 3232 1 10 . 1 1 19 19 CYS CA C 19 58.613 58.613 59.652 -1.039 18226 3233 1 10 . 1 1 19 19 CYS CB C 19 27.999 27.999 26.753 1.246 18226 3234 1 10 . 1 1 19 19 CYS H H 19 8.276 8.276 8.784 -0.508 18226 3235 1 10 . 1 1 20 20 GLU N N 20 123.369 123.369 119.719 3.650 18226 3236 1 10 . 1 1 20 20 GLU HA H 20 4.303 4.303 3.608 0.695 18226 3237 1 10 . 1 1 20 20 GLU C C 20 175.858 175.858 175.948 -0.090 18226 3238 1 10 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.653 -0.196 18226 3239 1 10 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.687 -0.537 18226 3240 1 10 . 1 1 20 20 GLU H H 20 8.400 8.400 8.189 0.211 18226 3241 1 10 . 1 1 21 21 TYR N N 21 119.980 119.980 115.295 4.685 18226 3242 1 10 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.273 0.271 18226 3243 1 10 . 1 1 21 21 TYR C C 21 175.669 175.669 175.661 0.008 18226 3244 1 10 . 1 1 21 21 TYR CA C 21 58.103 58.103 59.369 -1.266 18226 3245 1 10 . 1 1 21 21 TYR CB C 21 38.677 38.677 36.199 2.478 18226 3246 1 10 . 1 1 21 21 TYR H H 21 7.991 7.991 8.083 -0.092 18226 3247 1 10 . 1 1 22 22 THR N N 22 113.984 113.984 105.620 8.364 18226 3248 1 10 . 1 1 22 22 THR HA H 22 4.164 4.164 4.582 -0.418 18226 3249 1 10 . 1 1 22 22 THR C C 22 174.259 174.259 173.862 0.397 18226 3250 1 10 . 1 1 22 22 THR CA C 22 62.381 62.381 61.986 0.395 18226 3251 1 10 . 1 1 22 22 THR CB C 22 69.551 69.551 70.098 -0.547 18226 3252 1 10 . 1 1 22 22 THR H H 22 7.821 7.821 7.879 -0.058 18226 3253 1 10 . 1 1 23 23 ASP N N 23 121.930 121.930 121.003 0.927 18226 3254 1 10 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.729 -0.058 18226 3255 1 10 . 1 1 23 23 ASP C C 23 176.164 176.164 176.677 -0.513 18226 3256 1 10 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.625 -0.944 18226 3257 1 10 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.013 -1.407 18226 3258 1 10 . 1 1 23 23 ASP H H 23 8.106 8.106 8.377 -0.271 18226 3259 1 10 . 1 1 24 24 TRP N N 24 121.947 121.947 119.984 1.963 18226 3260 1 10 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.556 -0.074 18226 3261 1 10 . 1 1 24 24 TRP C C 24 176.496 176.496 175.893 0.603 18226 3262 1 10 . 1 1 24 24 TRP CA C 24 58.238 58.238 59.531 -1.293 18226 3263 1 10 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.368 0.821 18226 3264 1 10 . 1 1 24 24 TRP H H 24 7.991 7.991 8.659 -0.668 18226 3265 1 10 . 1 1 25 25 LYS N N 25 119.673 119.673 115.286 4.387 18226 3266 1 10 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.257 -0.268 18226 3267 1 10 . 1 1 25 25 LYS C C 25 176.770 176.770 175.282 1.488 18226 3268 1 10 . 1 1 25 25 LYS CA C 25 57.467 57.467 54.619 2.848 18226 3269 1 10 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.422 0.531 18226 3270 1 10 . 1 1 25 25 LYS H H 25 7.588 7.588 7.134 0.454 18226 3271 1 10 . 1 1 26 26 SER N N 26 114.157 114.157 116.292 -2.135 18226 3272 1 10 . 1 1 26 26 SER HA H 26 4.462 4.462 4.023 0.439 18226 3273 1 10 . 1 1 26 26 SER C C 26 175.126 175.126 174.139 0.987 18226 3274 1 10 . 1 1 26 26 SER CA C 26 58.673 58.673 59.413 -0.740 18226 3275 1 10 . 1 1 26 26 SER CB C 26 63.801 63.801 61.641 2.160 18226 3276 1 10 . 1 1 26 26 SER H H 26 7.823 7.823 7.998 -0.175 18226 3277 1 10 . 1 1 27 27 SER N N 27 117.353 117.353 113.776 3.577 18226 3278 1 10 . 1 1 27 27 SER HA H 27 4.288 4.288 4.511 -0.223 18226 3279 1 10 . 1 1 27 27 SER C C 27 175.598 175.598 173.833 1.765 18226 3280 1 10 . 1 1 27 27 SER CA C 27 60.216 60.216 58.390 1.826 18226 3281 1 10 . 1 1 27 27 SER CB C 27 63.684 63.684 63.203 0.481 18226 3282 1 10 . 1 1 27 27 SER H H 27 8.178 8.178 8.002 0.176 18226 3283 1 10 . 1 1 28 28 GLY N N 28 110.249 110.249 107.504 2.745 18226 3284 1 10 . 1 1 28 28 GLY C C 28 174.667 174.667 172.983 1.684 18226 3285 1 10 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.848 0.428 18226 3286 1 10 . 1 1 28 28 GLY H H 28 8.359 8.359 7.891 0.468 18226 3287 1 10 . 1 1 29 29 ALA N N 29 121.959 121.959 120.782 1.177 18226 3288 1 10 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.678 -0.350 18226 3289 1 10 . 1 1 29 29 ALA C C 29 177.873 177.873 176.777 1.096 18226 3290 1 10 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.466 0.795 18226 3291 1 10 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.654 -0.017 18226 3292 1 10 . 1 1 29 29 ALA H H 29 7.931 7.931 7.801 0.130 18226 3293 1 10 . 1 1 30 30 LEU N N 30 117.460 117.460 118.177 -0.717 18226 3294 1 10 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.627 -0.419 18226 3295 1 10 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.365 2.026 18226 3296 1 10 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.663 -0.058 18226 3297 1 10 . 1 1 30 30 LEU H H 30 7.924 7.924 7.845 0.079 18226 3298 1 10 . 1 1 31 31 ILE N N 31 117.379 117.379 117.579 -0.200 18226 3299 1 10 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.453 -0.530 18226 3300 1 10 . 1 1 31 31 ILE CA C 31 66.011 66.011 62.331 3.680 18226 3301 1 10 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.690 -0.467 18226 3302 1 10 . 1 1 31 31 ILE H H 31 8.100 8.100 7.888 0.212 18226 3303 1 10 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.671 -0.353 18226 3304 1 10 . 1 1 32 32 PRO C C 32 178.706 178.706 176.463 2.243 18226 3305 1 10 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.697 2.334 18226 3306 1 10 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.741 0.526 18226 3307 1 10 . 1 1 33 33 ALA N N 33 119.040 119.040 120.003 -0.963 18226 3308 1 10 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.480 -0.285 18226 3309 1 10 . 1 1 33 33 ALA C C 33 179.052 179.052 177.173 1.879 18226 3310 1 10 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.837 2.555 18226 3311 1 10 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.102 -0.571 18226 3312 1 10 . 1 1 33 33 ALA H H 33 7.462 7.462 8.316 -0.854 18226 3313 1 10 . 1 1 34 34 ILE N N 34 118.037 118.037 112.078 5.959 18226 3314 1 10 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.292 -0.570 18226 3315 1 10 . 1 1 34 34 ILE C C 34 177.827 177.827 176.621 1.206 18226 3316 1 10 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.088 2.935 18226 3317 1 10 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.736 -2.396 18226 3318 1 10 . 1 1 34 34 ILE H H 34 8.176 8.176 7.378 0.798 18226 3319 1 10 . 1 1 35 35 TYR N N 35 118.783 118.783 120.924 -2.141 18226 3320 1 10 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.579 -0.434 18226 3321 1 10 . 1 1 35 35 TYR C C 35 178.062 178.062 175.950 2.112 18226 3322 1 10 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.198 1.350 18226 3323 1 10 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.688 0.054 18226 3324 1 10 . 1 1 35 35 TYR H H 35 8.306 8.306 8.013 0.293 18226 3325 1 10 . 1 1 36 36 MET N N 36 118.068 118.068 117.188 0.880 18226 3326 1 10 . 1 1 36 36 MET HA H 36 4.317 4.317 4.626 -0.309 18226 3327 1 10 . 1 1 36 36 MET C C 36 178.183 178.183 176.717 1.466 18226 3328 1 10 . 1 1 36 36 MET CA C 36 58.533 58.533 56.348 2.185 18226 3329 1 10 . 1 1 36 36 MET CB C 36 32.288 32.288 32.847 -0.559 18226 3330 1 10 . 1 1 36 36 MET H H 36 8.090 8.090 7.815 0.275 18226 3331 1 10 . 1 1 37 37 LEU N N 37 120.316 120.316 116.632 3.684 18226 3332 1 10 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.473 -0.358 18226 3333 1 10 . 1 1 37 37 LEU C C 37 178.353 178.353 176.662 1.691 18226 3334 1 10 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.694 1.636 18226 3335 1 10 . 1 1 37 37 LEU CB C 37 41.914 41.914 40.788 1.126 18226 3336 1 10 . 1 1 37 37 LEU H H 37 8.106 8.106 8.177 -0.071 18226 3337 1 10 . 1 1 38 38 VAL N N 38 118.385 118.385 117.464 0.921 18226 3338 1 10 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.034 -0.505 18226 3339 1 10 . 1 1 38 38 VAL C C 38 178.216 178.216 176.759 1.457 18226 3340 1 10 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.779 3.263 18226 3341 1 10 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.447 -0.822 18226 3342 1 10 . 1 1 38 38 VAL H H 38 8.305 8.305 7.291 1.014 18226 3343 1 10 . 1 1 39 39 PHE N N 39 120.216 120.216 121.766 -1.550 18226 3344 1 10 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.163 0.098 18226 3345 1 10 . 1 1 39 39 PHE C C 39 178.597 178.597 176.853 1.744 18226 3346 1 10 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.201 -0.881 18226 3347 1 10 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.524 -0.635 18226 3348 1 10 . 1 1 39 39 PHE H H 39 8.196 8.196 7.958 0.238 18226 3349 1 10 . 1 1 40 40 LEU N N 40 120.772 120.772 118.452 2.320 18226 3350 1 10 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.395 -0.345 18226 3351 1 10 . 1 1 40 40 LEU C C 40 179.666 179.666 175.766 3.900 18226 3352 1 10 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.696 3.210 18226 3353 1 10 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.068 1.272 18226 3354 1 10 . 1 1 40 40 LEU H H 40 8.452 8.452 7.699 0.753 18226 3355 1 10 . 1 1 41 41 LEU N N 41 119.185 119.185 120.518 -1.333 18226 3356 1 10 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.475 -0.376 18226 3357 1 10 . 1 1 41 41 LEU C C 41 178.878 178.878 177.695 1.183 18226 3358 1 10 . 1 1 41 41 LEU CA C 41 57.386 57.386 54.638 2.748 18226 3359 1 10 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.513 -1.658 18226 3360 1 10 . 1 1 41 41 LEU H H 41 8.435 8.435 7.541 0.894 18226 3361 1 10 . 1 1 42 42 GLY N N 42 105.718 105.718 106.531 -0.813 18226 3362 1 10 . 1 1 42 42 GLY C C 42 174.908 174.908 173.823 1.085 18226 3363 1 10 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.726 -0.084 18226 3364 1 10 . 1 1 42 42 GLY H H 42 8.208 8.208 8.092 0.116 18226 3365 1 10 . 1 1 43 43 THR N N 43 111.959 111.959 111.531 0.428 18226 3366 1 10 . 1 1 43 43 THR HA H 43 4.348 4.348 4.419 -0.071 18226 3367 1 10 . 1 1 43 43 THR C C 43 175.665 175.665 174.049 1.616 18226 3368 1 10 . 1 1 43 43 THR CA C 43 63.097 63.097 60.792 2.305 18226 3369 1 10 . 1 1 43 43 THR CB C 43 69.867 69.867 69.857 0.010 18226 3370 1 10 . 1 1 43 43 THR H H 43 7.789 7.789 7.241 0.548 18226 3371 1 10 . 1 1 44 44 THR N N 44 113.271 113.271 115.955 -2.684 18226 3372 1 10 . 1 1 44 44 THR HA H 44 4.308 4.308 4.092 0.216 18226 3373 1 10 . 1 1 44 44 THR C C 44 175.754 175.754 175.501 0.253 18226 3374 1 10 . 1 1 44 44 THR CA C 44 63.194 63.194 63.398 -0.204 18226 3375 1 10 . 1 1 44 44 THR CB C 44 70.171 70.171 67.431 2.740 18226 3376 1 10 . 1 1 44 44 THR H H 44 7.833 7.833 8.448 -0.615 18226 3377 1 10 . 1 1 45 45 GLY N N 45 109.879 109.879 107.144 2.735 18226 3378 1 10 . 1 1 45 45 GLY C C 45 175.221 175.221 173.996 1.225 18226 3379 1 10 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.195 1.344 18226 3380 1 10 . 1 1 45 45 GLY H H 45 8.259 8.259 8.154 0.105 18226 3381 1 10 . 1 1 46 46 ASN N N 46 117.998 117.998 116.605 1.393 18226 3382 1 10 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.870 -0.258 18226 3383 1 10 . 1 1 46 46 ASN C C 46 176.215 176.215 175.780 0.435 18226 3384 1 10 . 1 1 46 46 ASN CA C 46 54.840 54.840 53.924 0.916 18226 3385 1 10 . 1 1 46 46 ASN CB C 46 38.566 38.566 40.276 -1.710 18226 3386 1 10 . 1 1 46 46 ASN H H 46 8.235 8.235 8.170 0.065 18226 3387 1 10 . 1 1 47 47 GLY N N 47 106.990 106.990 106.496 0.494 18226 3388 1 10 . 1 1 47 47 GLY C C 47 174.659 174.659 174.263 0.396 18226 3389 1 10 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.443 1.536 18226 3390 1 10 . 1 1 47 47 GLY H H 47 8.425 8.425 8.174 0.251 18226 3391 1 10 . 1 1 48 48 LEU N N 48 120.699 120.699 115.877 4.822 18226 3392 1 10 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.956 -0.656 18226 3393 1 10 . 1 1 48 48 LEU C C 48 179.482 179.482 175.931 3.551 18226 3394 1 10 . 1 1 48 48 LEU CA C 48 57.445 57.445 54.187 3.258 18226 3395 1 10 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.804 -0.238 18226 3396 1 10 . 1 1 48 48 LEU H H 48 7.956 7.956 7.432 0.524 18226 3397 1 10 . 1 1 49 49 VAL N N 49 120.101 120.101 117.567 2.534 18226 3398 1 10 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.249 -0.370 18226 3399 1 10 . 1 1 49 49 VAL C C 49 177.535 177.535 176.391 1.144 18226 3400 1 10 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.395 1.467 18226 3401 1 10 . 1 1 49 49 VAL CB C 49 31.779 31.779 34.630 -2.850 18226 3402 1 10 . 1 1 49 49 VAL H H 49 7.919 7.919 7.765 0.154 18226 3403 1 10 . 1 1 50 50 LEU N N 50 119.268 119.268 117.405 1.863 18226 3404 1 10 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.785 -0.743 18226 3405 1 10 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.166 0.679 18226 3406 1 10 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.908 -1.031 18226 3407 1 10 . 1 1 50 50 LEU H H 50 7.731 7.731 7.607 0.124 18226 3408 1 10 . 1 1 51 51 TRP N N 51 118.033 118.033 122.181 -4.148 18226 3409 1 10 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.502 0.090 18226 3410 1 10 . 1 1 51 51 TRP C C 51 177.302 177.302 176.009 1.293 18226 3411 1 10 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.810 -0.021 18226 3412 1 10 . 1 1 51 51 TRP CB C 51 30.207 30.207 28.807 1.400 18226 3413 1 10 . 1 1 51 51 TRP H H 51 8.070 8.070 7.697 0.373 18226 3414 1 10 . 1 1 52 52 THR N N 52 113.014 113.014 114.193 -1.179 18226 3415 1 10 . 1 1 52 52 THR HA H 52 3.746 3.746 3.769 -0.023 18226 3416 1 10 . 1 1 52 52 THR C C 52 176.361 176.361 176.089 0.272 18226 3417 1 10 . 1 1 52 52 THR CA C 52 66.443 66.443 64.730 1.713 18226 3418 1 10 . 1 1 52 52 THR CB C 52 69.017 69.017 68.895 0.122 18226 3419 1 10 . 1 1 52 52 THR H H 52 8.101 8.101 8.172 -0.071 18226 3420 1 10 . 1 1 53 53 VAL N N 53 120.231 120.231 120.582 -0.351 18226 3421 1 10 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.528 0.150 18226 3422 1 10 . 1 1 53 53 VAL C C 53 177.482 177.482 177.830 -0.348 18226 3423 1 10 . 1 1 53 53 VAL CA C 53 66.158 66.158 65.912 0.246 18226 3424 1 10 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.691 0.076 18226 3425 1 10 . 1 1 53 53 VAL H H 53 7.905 7.905 7.695 0.210 18226 3426 1 10 . 1 1 54 54 PHE N N 54 118.609 118.609 117.236 1.373 18226 3427 1 10 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.248 -0.015 18226 3428 1 10 . 1 1 54 54 PHE CA C 54 60.666 60.666 59.426 1.240 18226 3429 1 10 . 1 1 54 54 PHE CB C 54 39.258 39.258 36.602 2.656 18226 3430 1 10 . 1 1 54 54 PHE H H 54 8.025 8.025 7.833 0.192 18226 3431 1 10 . 1 1 55 55 ARG N N 55 117.305 117.305 118.757 -1.452 18226 3432 1 10 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.315 -0.507 18226 3433 1 10 . 1 1 55 55 ARG CA C 55 57.710 57.710 56.835 0.875 18226 3434 1 10 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.978 -2.315 18226 3435 1 10 . 1 1 55 55 ARG H H 55 8.025 8.025 8.176 -0.151 18226 3436 1 10 . 1 1 56 56 LYS N N 56 118.321 118.321 119.722 -1.401 18226 3437 1 10 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.040 0.130 18226 3438 1 10 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.906 -1.466 18226 3439 1 10 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.642 1.287 18226 3440 1 10 . 1 1 56 56 LYS H H 56 7.717 7.717 7.916 -0.199 18226 3441 1 10 . 1 1 57 57 LYS N N 57 118.349 118.349 118.411 -0.062 18226 3442 1 10 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.092 0.197 18226 3443 1 10 . 1 1 57 57 LYS C C 57 176.891 176.891 177.333 -0.442 18226 3444 1 10 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.512 -1.139 18226 3445 1 10 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.800 0.064 18226 3446 1 10 . 1 1 57 57 LYS H H 57 7.872 7.872 7.619 0.253 18226 3447 1 10 . 1 1 58 58 GLY N N 58 107.442 107.442 106.745 0.697 18226 3448 1 10 . 1 1 58 58 GLY C C 58 173.263 173.263 174.204 -0.941 18226 3449 1 10 . 1 1 58 58 GLY CA C 58 45.557 45.557 45.040 0.517 18226 3450 1 10 . 1 1 58 58 GLY H H 58 8.060 8.060 7.625 0.435 18226 3451 1 10 . 1 1 59 59 HIS N N 59 116.928 116.928 119.023 -2.095 18226 3452 1 10 . 1 1 59 59 HIS HA H 59 4.668 4.668 3.752 0.916 18226 3453 1 10 . 1 1 59 59 HIS C C 59 173.935 173.935 175.808 -1.873 18226 3454 1 10 . 1 1 59 59 HIS CA C 59 55.085 55.085 60.258 -5.173 18226 3455 1 10 . 1 1 59 59 HIS CB C 59 29.223 29.223 28.321 0.902 18226 3456 1 10 . 1 1 59 59 HIS H H 59 8.076 8.076 8.721 -0.645 18226 3457 1 10 . 1 1 60 60 HIS N N 60 119.187 119.187 118.938 0.249 18226 3458 1 10 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.527 0.144 18226 3459 1 10 . 1 1 60 60 HIS C C 60 173.926 173.926 175.324 -1.398 18226 3460 1 10 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.824 -1.395 18226 3461 1 10 . 1 1 60 60 HIS CB C 60 29.157 29.157 31.321 -2.164 18226 3462 1 10 . 1 1 60 60 HIS H H 60 8.547 8.547 8.081 0.466 18226 3463 1 10 . 1 1 61 61 HIS N N 61 120.017 120.017 116.477 3.540 18226 3464 1 10 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.849 -0.182 18226 3465 1 10 . 1 1 61 61 HIS C C 61 173.994 173.994 174.339 -0.345 18226 3466 1 10 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.958 -0.525 18226 3467 1 10 . 1 1 61 61 HIS CB C 61 29.201 29.201 31.246 -2.045 18226 3468 1 10 . 1 1 61 61 HIS H H 61 8.662 8.662 8.462 0.200 18226 3469 1 10 . 1 1 62 62 HIS N N 62 120.463 120.463 123.316 -2.853 18226 3470 1 10 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.396 0.261 18226 3471 1 10 . 1 1 62 62 HIS C C 62 173.939 173.939 174.824 -0.885 18226 3472 1 10 . 1 1 62 62 HIS CA C 62 55.376 55.376 57.872 -2.496 18226 3473 1 10 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.554 -1.263 18226 3474 1 10 . 1 1 62 62 HIS H H 62 8.729 8.729 8.844 -0.115 18226 3475 1 10 . 1 1 63 63 HIS N N 63 120.370 120.370 115.122 5.248 18226 3476 1 10 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.677 -0.019 18226 3477 1 10 . 1 1 63 63 HIS C C 63 173.564 173.564 173.849 -0.285 18226 3478 1 10 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.242 0.366 18226 3479 1 10 . 1 1 63 63 HIS CB C 63 29.365 29.365 32.183 -2.818 18226 3480 1 10 . 1 1 63 63 HIS H H 63 8.619 8.619 8.366 0.253 18226 3481 1 11 . 1 1 2 2 GLU N N 2 123.545 123.545 120.151 3.394 18226 3482 1 11 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.133 0.253 18226 3483 1 11 . 1 1 2 2 GLU C C 2 175.742 175.742 176.329 -0.587 18226 3484 1 11 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.934 -0.571 18226 3485 1 11 . 1 1 2 2 GLU CB C 2 29.755 29.755 27.302 2.454 18226 3486 1 11 . 1 1 2 2 GLU H H 2 8.765 8.765 8.800 -0.035 18226 3487 1 11 . 1 1 3 3 GLU N N 3 122.227 122.227 119.044 3.183 18226 3488 1 11 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.178 0.155 18226 3489 1 11 . 1 1 3 3 GLU C C 3 176.636 176.636 177.374 -0.738 18226 3490 1 11 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.479 0.009 18226 3491 1 11 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.479 0.278 18226 3492 1 11 . 1 1 3 3 GLU H H 3 8.550 8.550 8.278 0.272 18226 3493 1 11 . 1 1 4 4 GLY N N 4 110.108 110.108 109.381 0.727 18226 3494 1 11 . 1 1 4 4 GLY C C 4 174.548 174.548 174.856 -0.308 18226 3495 1 11 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.144 0.331 18226 3496 1 11 . 1 1 4 4 GLY H H 4 8.453 8.453 7.869 0.584 18226 3497 1 11 . 1 1 5 5 GLY N N 5 108.466 108.466 107.830 0.636 18226 3498 1 11 . 1 1 5 5 GLY C C 5 173.790 173.790 174.586 -0.796 18226 3499 1 11 . 1 1 5 5 GLY CA C 5 45.364 45.364 46.262 -0.898 18226 3500 1 11 . 1 1 5 5 GLY H H 5 8.168 8.168 8.690 -0.522 18226 3501 1 11 . 1 1 6 6 ASP N N 6 119.764 119.764 121.675 -1.911 18226 3502 1 11 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.696 -0.113 18226 3503 1 11 . 1 1 6 6 ASP C C 6 175.811 175.811 176.272 -0.461 18226 3504 1 11 . 1 1 6 6 ASP CA C 6 53.992 53.992 53.674 0.318 18226 3505 1 11 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.525 -1.268 18226 3506 1 11 . 1 1 6 6 ASP H H 6 8.187 8.187 8.382 -0.195 18226 3507 1 11 . 1 1 7 7 PHE N N 7 119.941 119.941 119.239 0.702 18226 3508 1 11 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.452 0.114 18226 3509 1 11 . 1 1 7 7 PHE C C 7 175.636 175.636 175.338 0.298 18226 3510 1 11 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.278 -0.207 18226 3511 1 11 . 1 1 7 7 PHE CB C 7 39.319 39.319 37.576 1.743 18226 3512 1 11 . 1 1 7 7 PHE H H 7 8.103 8.103 8.205 -0.102 18226 3513 1 11 . 1 1 8 8 ASP N N 8 120.418 120.418 117.386 3.032 18226 3514 1 11 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.217 0.320 18226 3515 1 11 . 1 1 8 8 ASP C C 8 175.548 175.548 175.093 0.455 18226 3516 1 11 . 1 1 8 8 ASP CA C 8 54.373 54.373 55.768 -1.395 18226 3517 1 11 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.264 0.122 18226 3518 1 11 . 1 1 8 8 ASP H H 8 8.177 8.177 8.858 -0.681 18226 3519 1 11 . 1 1 9 9 ASN N N 9 118.260 118.260 117.530 0.730 18226 3520 1 11 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.924 -0.337 18226 3521 1 11 . 1 1 9 9 ASN C C 9 174.782 174.782 175.181 -0.399 18226 3522 1 11 . 1 1 9 9 ASN CA C 9 53.397 53.397 52.771 0.626 18226 3523 1 11 . 1 1 9 9 ASN CB C 9 38.762 38.762 40.107 -1.345 18226 3524 1 11 . 1 1 9 9 ASN H H 9 8.057 8.057 8.301 -0.244 18226 3525 1 11 . 1 1 10 10 TYR N N 10 120.145 120.145 122.112 -1.967 18226 3526 1 11 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.141 0.298 18226 3527 1 11 . 1 1 10 10 TYR C C 10 175.520 175.520 173.689 1.831 18226 3528 1 11 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.624 -1.255 18226 3529 1 11 . 1 1 10 10 TYR CB C 10 38.749 38.749 38.052 0.697 18226 3530 1 11 . 1 1 10 10 TYR H H 10 7.951 7.951 8.877 -0.926 18226 3531 1 11 . 1 1 11 11 TYR N N 11 121.223 121.223 119.075 2.148 18226 3532 1 11 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.522 -0.023 18226 3533 1 11 . 1 1 11 11 TYR C C 11 175.974 175.974 174.764 1.210 18226 3534 1 11 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.772 0.301 18226 3535 1 11 . 1 1 11 11 TYR CB C 11 38.671 38.671 39.241 -0.570 18226 3536 1 11 . 1 1 11 11 TYR H H 11 7.971 7.971 7.661 0.310 18226 3537 1 11 . 1 1 12 12 GLY N N 12 109.861 109.861 112.878 -3.017 18226 3538 1 11 . 1 1 12 12 GLY C C 12 173.775 173.775 173.687 0.088 18226 3539 1 11 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.789 -0.409 18226 3540 1 11 . 1 1 12 12 GLY H H 12 7.769 7.769 7.852 -0.083 18226 3541 1 11 . 1 1 13 13 ALA N N 13 123.378 123.378 123.122 0.256 18226 3542 1 11 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.598 -0.296 18226 3543 1 11 . 1 1 13 13 ALA C C 13 177.509 177.509 176.719 0.790 18226 3544 1 11 . 1 1 13 13 ALA CA C 13 52.627 52.627 51.548 1.079 18226 3545 1 11 . 1 1 13 13 ALA CB C 13 19.444 19.444 18.726 0.718 18226 3546 1 11 . 1 1 13 13 ALA H H 13 7.975 7.975 8.277 -0.302 18226 3547 1 11 . 1 1 14 14 ASP N N 14 118.494 118.494 117.319 1.175 18226 3548 1 11 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.372 0.262 18226 3549 1 11 . 1 1 14 14 ASP C C 14 175.747 175.747 175.147 0.600 18226 3550 1 11 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.103 -0.101 18226 3551 1 11 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.134 0.028 18226 3552 1 11 . 1 1 14 14 ASP H H 14 8.307 8.307 8.096 0.211 18226 3553 1 11 . 1 1 15 15 ASN N N 15 118.834 118.834 117.756 1.078 18226 3554 1 11 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.795 -0.133 18226 3555 1 11 . 1 1 15 15 ASN C C 15 175.258 175.258 174.453 0.805 18226 3556 1 11 . 1 1 15 15 ASN CA C 15 53.515 53.515 52.201 1.314 18226 3557 1 11 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.351 0.406 18226 3558 1 11 . 1 1 15 15 ASN H H 15 8.221 8.221 7.579 0.642 18226 3559 1 11 . 1 1 16 16 GLN N N 16 120.413 120.413 119.843 0.570 18226 3560 1 11 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.181 0.174 18226 3561 1 11 . 1 1 16 16 GLN C C 16 176.096 176.096 177.036 -0.940 18226 3562 1 11 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.445 -1.205 18226 3563 1 11 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.980 0.390 18226 3564 1 11 . 1 1 16 16 GLN H H 16 8.295 8.295 8.542 -0.247 18226 3565 1 11 . 1 1 17 17 SER N N 17 116.692 116.692 112.264 4.428 18226 3566 1 11 . 1 1 17 17 SER HA H 17 4.428 4.428 4.332 0.096 18226 3567 1 11 . 1 1 17 17 SER C C 17 174.523 174.523 174.032 0.491 18226 3568 1 11 . 1 1 17 17 SER CA C 17 58.683 58.683 58.539 0.144 18226 3569 1 11 . 1 1 17 17 SER CB C 17 63.794 63.794 63.406 0.388 18226 3570 1 11 . 1 1 17 17 SER H H 17 8.267 8.267 7.918 0.349 18226 3571 1 11 . 1 1 18 18 GLU N N 18 122.142 122.142 120.724 1.418 18226 3572 1 11 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.698 -0.335 18226 3573 1 11 . 1 1 18 18 GLU C C 18 175.937 175.937 175.510 0.427 18226 3574 1 11 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.358 -0.052 18226 3575 1 11 . 1 1 18 18 GLU CB C 18 29.506 29.506 30.389 -0.883 18226 3576 1 11 . 1 1 18 18 GLU H H 18 8.330 8.330 7.941 0.389 18226 3577 1 11 . 1 1 19 19 CYS N N 19 120.077 120.077 122.487 -2.410 18226 3578 1 11 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.774 -0.342 18226 3579 1 11 . 1 1 19 19 CYS C C 19 174.442 174.442 174.996 -0.554 18226 3580 1 11 . 1 1 19 19 CYS CA C 19 58.613 58.613 58.038 0.575 18226 3581 1 11 . 1 1 19 19 CYS CB C 19 27.999 27.999 30.330 -2.331 18226 3582 1 11 . 1 1 19 19 CYS H H 19 8.276 8.276 8.448 -0.172 18226 3583 1 11 . 1 1 20 20 GLU N N 20 123.369 123.369 121.803 1.566 18226 3584 1 11 . 1 1 20 20 GLU HA H 20 4.303 4.303 3.969 0.334 18226 3585 1 11 . 1 1 20 20 GLU C C 20 175.858 175.858 176.224 -0.366 18226 3586 1 11 . 1 1 20 20 GLU CA C 20 56.457 56.457 57.447 -0.990 18226 3587 1 11 . 1 1 20 20 GLU CB C 20 29.150 29.150 28.336 0.814 18226 3588 1 11 . 1 1 20 20 GLU H H 20 8.400 8.400 8.456 -0.056 18226 3589 1 11 . 1 1 21 21 TYR N N 21 119.980 119.980 119.997 -0.017 18226 3590 1 11 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.475 0.069 18226 3591 1 11 . 1 1 21 21 TYR C C 21 175.669 175.669 175.598 0.071 18226 3592 1 11 . 1 1 21 21 TYR CA C 21 58.103 58.103 59.349 -1.246 18226 3593 1 11 . 1 1 21 21 TYR CB C 21 38.677 38.677 37.957 0.720 18226 3594 1 11 . 1 1 21 21 TYR H H 21 7.991 7.991 7.939 0.052 18226 3595 1 11 . 1 1 22 22 THR N N 22 113.984 113.984 111.205 2.779 18226 3596 1 11 . 1 1 22 22 THR HA H 22 4.164 4.164 4.210 -0.046 18226 3597 1 11 . 1 1 22 22 THR C C 22 174.259 174.259 173.675 0.584 18226 3598 1 11 . 1 1 22 22 THR CA C 22 62.381 62.381 63.773 -1.392 18226 3599 1 11 . 1 1 22 22 THR CB C 22 69.551 69.551 66.886 2.665 18226 3600 1 11 . 1 1 22 22 THR H H 22 7.821 7.821 8.164 -0.343 18226 3601 1 11 . 1 1 23 23 ASP N N 23 121.930 121.930 118.362 3.568 18226 3602 1 11 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.953 -0.282 18226 3603 1 11 . 1 1 23 23 ASP C C 23 176.164 176.164 176.042 0.122 18226 3604 1 11 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.447 -0.766 18226 3605 1 11 . 1 1 23 23 ASP CB C 23 39.606 39.606 42.298 -2.692 18226 3606 1 11 . 1 1 23 23 ASP H H 23 8.106 8.106 8.134 -0.028 18226 3607 1 11 . 1 1 24 24 TRP N N 24 121.947 121.947 119.549 2.398 18226 3608 1 11 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.820 -0.338 18226 3609 1 11 . 1 1 24 24 TRP C C 24 176.496 176.496 174.842 1.654 18226 3610 1 11 . 1 1 24 24 TRP CA C 24 58.238 58.238 56.810 1.428 18226 3611 1 11 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.412 -0.223 18226 3612 1 11 . 1 1 24 24 TRP H H 24 7.991 7.991 8.154 -0.163 18226 3613 1 11 . 1 1 25 25 LYS N N 25 119.673 119.673 115.140 4.533 18226 3614 1 11 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.196 -0.207 18226 3615 1 11 . 1 1 25 25 LYS C C 25 176.770 176.770 175.149 1.621 18226 3616 1 11 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.574 1.893 18226 3617 1 11 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.324 0.629 18226 3618 1 11 . 1 1 25 25 LYS H H 25 7.588 7.588 7.601 -0.013 18226 3619 1 11 . 1 1 26 26 SER N N 26 114.157 114.157 115.320 -1.163 18226 3620 1 11 . 1 1 26 26 SER HA H 26 4.462 4.462 4.554 -0.092 18226 3621 1 11 . 1 1 26 26 SER C C 26 175.126 175.126 174.891 0.235 18226 3622 1 11 . 1 1 26 26 SER CA C 26 58.673 58.673 58.643 0.030 18226 3623 1 11 . 1 1 26 26 SER CB C 26 63.801 63.801 65.100 -1.299 18226 3624 1 11 . 1 1 26 26 SER H H 26 7.823 7.823 7.706 0.117 18226 3625 1 11 . 1 1 27 27 SER N N 27 117.353 117.353 117.428 -0.075 18226 3626 1 11 . 1 1 27 27 SER HA H 27 4.288 4.288 4.470 -0.182 18226 3627 1 11 . 1 1 27 27 SER C C 27 175.598 175.598 175.273 0.325 18226 3628 1 11 . 1 1 27 27 SER CA C 27 60.216 60.216 59.347 0.869 18226 3629 1 11 . 1 1 27 27 SER CB C 27 63.684 63.684 62.964 0.720 18226 3630 1 11 . 1 1 27 27 SER H H 27 8.178 8.178 8.547 -0.369 18226 3631 1 11 . 1 1 28 28 GLY N N 28 110.249 110.249 107.475 2.774 18226 3632 1 11 . 1 1 28 28 GLY C C 28 174.667 174.667 173.373 1.294 18226 3633 1 11 . 1 1 28 28 GLY CA C 28 46.276 46.276 44.836 1.440 18226 3634 1 11 . 1 1 28 28 GLY H H 28 8.359 8.359 7.767 0.592 18226 3635 1 11 . 1 1 29 29 ALA N N 29 121.959 121.959 122.819 -0.860 18226 3636 1 11 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.527 -0.199 18226 3637 1 11 . 1 1 29 29 ALA C C 29 177.873 177.873 176.793 1.080 18226 3638 1 11 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.107 0.154 18226 3639 1 11 . 1 1 29 29 ALA CB C 29 19.637 19.637 20.423 -0.786 18226 3640 1 11 . 1 1 29 29 ALA H H 29 7.931 7.931 7.674 0.257 18226 3641 1 11 . 1 1 30 30 LEU N N 30 117.460 117.460 113.671 3.789 18226 3642 1 11 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.580 -0.372 18226 3643 1 11 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.483 1.909 18226 3644 1 11 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.728 -0.123 18226 3645 1 11 . 1 1 30 30 LEU H H 30 7.924 7.924 7.754 0.170 18226 3646 1 11 . 1 1 31 31 ILE N N 31 117.379 117.379 123.270 -5.891 18226 3647 1 11 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.257 -0.334 18226 3648 1 11 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.779 2.232 18226 3649 1 11 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.124 -0.901 18226 3650 1 11 . 1 1 31 31 ILE H H 31 8.100 8.100 8.357 -0.257 18226 3651 1 11 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.592 -0.274 18226 3652 1 11 . 1 1 32 32 PRO C C 32 178.706 178.706 175.779 2.927 18226 3653 1 11 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.239 2.792 18226 3654 1 11 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.246 1.021 18226 3655 1 11 . 1 1 33 33 ALA N N 33 119.040 119.040 121.355 -2.315 18226 3656 1 11 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.506 -0.311 18226 3657 1 11 . 1 1 33 33 ALA C C 33 179.052 179.052 177.104 1.948 18226 3658 1 11 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.449 2.944 18226 3659 1 11 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.314 -1.783 18226 3660 1 11 . 1 1 33 33 ALA H H 33 7.462 7.462 7.954 -0.492 18226 3661 1 11 . 1 1 34 34 ILE N N 34 118.037 118.037 112.927 5.110 18226 3662 1 11 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.312 -0.590 18226 3663 1 11 . 1 1 34 34 ILE C C 34 177.827 177.827 176.597 1.230 18226 3664 1 11 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.093 2.930 18226 3665 1 11 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.653 -2.312 18226 3666 1 11 . 1 1 34 34 ILE H H 34 8.176 8.176 7.461 0.715 18226 3667 1 11 . 1 1 35 35 TYR N N 35 118.783 118.783 120.273 -1.490 18226 3668 1 11 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.488 -0.343 18226 3669 1 11 . 1 1 35 35 TYR C C 35 178.062 178.062 175.634 2.428 18226 3670 1 11 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.058 1.490 18226 3671 1 11 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.722 0.020 18226 3672 1 11 . 1 1 35 35 TYR H H 35 8.306 8.306 7.942 0.364 18226 3673 1 11 . 1 1 36 36 MET N N 36 118.068 118.068 115.809 2.259 18226 3674 1 11 . 1 1 36 36 MET HA H 36 4.317 4.317 4.675 -0.358 18226 3675 1 11 . 1 1 36 36 MET C C 36 178.183 178.183 176.684 1.499 18226 3676 1 11 . 1 1 36 36 MET CA C 36 58.533 58.533 55.891 2.642 18226 3677 1 11 . 1 1 36 36 MET CB C 36 32.288 32.288 32.969 -0.681 18226 3678 1 11 . 1 1 36 36 MET H H 36 8.090 8.090 7.883 0.207 18226 3679 1 11 . 1 1 37 37 LEU N N 37 120.316 120.316 120.369 -0.053 18226 3680 1 11 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.160 -0.045 18226 3681 1 11 . 1 1 37 37 LEU C C 37 178.353 178.353 177.213 1.140 18226 3682 1 11 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.976 1.354 18226 3683 1 11 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.032 0.882 18226 3684 1 11 . 1 1 37 37 LEU H H 37 8.106 8.106 8.356 -0.250 18226 3685 1 11 . 1 1 38 38 VAL N N 38 118.385 118.385 116.857 1.528 18226 3686 1 11 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.012 -0.483 18226 3687 1 11 . 1 1 38 38 VAL C C 38 178.216 178.216 176.767 1.449 18226 3688 1 11 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.921 3.121 18226 3689 1 11 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.512 -0.887 18226 3690 1 11 . 1 1 38 38 VAL H H 38 8.305 8.305 7.318 0.987 18226 3691 1 11 . 1 1 39 39 PHE N N 39 120.216 120.216 121.078 -0.862 18226 3692 1 11 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.182 0.079 18226 3693 1 11 . 1 1 39 39 PHE C C 39 178.597 178.597 177.153 1.444 18226 3694 1 11 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.692 -1.372 18226 3695 1 11 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.261 -0.373 18226 3696 1 11 . 1 1 39 39 PHE H H 39 8.196 8.196 8.035 0.161 18226 3697 1 11 . 1 1 40 40 LEU N N 40 120.772 120.772 118.987 1.785 18226 3698 1 11 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.364 -0.314 18226 3699 1 11 . 1 1 40 40 LEU C C 40 179.666 179.666 175.755 3.911 18226 3700 1 11 . 1 1 40 40 LEU CA C 40 57.906 57.906 55.025 2.881 18226 3701 1 11 . 1 1 40 40 LEU CB C 40 42.340 42.340 40.020 2.320 18226 3702 1 11 . 1 1 40 40 LEU H H 40 8.452 8.452 8.302 0.150 18226 3703 1 11 . 1 1 41 41 LEU N N 41 119.185 119.185 121.239 -2.054 18226 3704 1 11 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.496 -0.397 18226 3705 1 11 . 1 1 41 41 LEU C C 41 178.878 178.878 176.921 1.957 18226 3706 1 11 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.946 1.440 18226 3707 1 11 . 1 1 41 41 LEU CB C 41 41.855 41.855 44.038 -2.183 18226 3708 1 11 . 1 1 41 41 LEU H H 41 8.435 8.435 7.923 0.512 18226 3709 1 11 . 1 1 42 42 GLY N N 42 105.718 105.718 107.321 -1.603 18226 3710 1 11 . 1 1 42 42 GLY C C 42 174.908 174.908 174.267 0.641 18226 3711 1 11 . 1 1 42 42 GLY CA C 42 46.642 46.642 45.758 0.884 18226 3712 1 11 . 1 1 42 42 GLY H H 42 8.208 8.208 8.163 0.045 18226 3713 1 11 . 1 1 43 43 THR N N 43 111.959 111.959 112.649 -0.690 18226 3714 1 11 . 1 1 43 43 THR HA H 43 4.348 4.348 4.223 0.125 18226 3715 1 11 . 1 1 43 43 THR C C 43 175.665 175.665 174.322 1.343 18226 3716 1 11 . 1 1 43 43 THR CA C 43 63.097 63.097 62.362 0.735 18226 3717 1 11 . 1 1 43 43 THR CB C 43 69.867 69.867 69.023 0.844 18226 3718 1 11 . 1 1 43 43 THR H H 43 7.789 7.789 7.417 0.372 18226 3719 1 11 . 1 1 44 44 THR N N 44 113.271 113.271 114.904 -1.633 18226 3720 1 11 . 1 1 44 44 THR HA H 44 4.308 4.308 3.879 0.429 18226 3721 1 11 . 1 1 44 44 THR C C 44 175.754 175.754 175.476 0.278 18226 3722 1 11 . 1 1 44 44 THR CA C 44 63.194 63.194 63.568 -0.374 18226 3723 1 11 . 1 1 44 44 THR CB C 44 70.171 70.171 68.091 2.080 18226 3724 1 11 . 1 1 44 44 THR H H 44 7.833 7.833 8.025 -0.192 18226 3725 1 11 . 1 1 45 45 GLY N N 45 109.879 109.879 109.022 0.857 18226 3726 1 11 . 1 1 45 45 GLY C C 45 175.221 175.221 175.745 -0.524 18226 3727 1 11 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.522 1.017 18226 3728 1 11 . 1 1 45 45 GLY H H 45 8.259 8.259 7.801 0.458 18226 3729 1 11 . 1 1 46 46 ASN N N 46 117.998 117.998 122.038 -4.040 18226 3730 1 11 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.633 -0.021 18226 3731 1 11 . 1 1 46 46 ASN C C 46 176.215 176.215 176.633 -0.418 18226 3732 1 11 . 1 1 46 46 ASN CA C 46 54.840 54.840 54.833 0.007 18226 3733 1 11 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.182 0.384 18226 3734 1 11 . 1 1 46 46 ASN H H 46 8.235 8.235 8.875 -0.640 18226 3735 1 11 . 1 1 47 47 GLY N N 47 106.990 106.990 106.944 0.046 18226 3736 1 11 . 1 1 47 47 GLY C C 47 174.659 174.659 173.870 0.789 18226 3737 1 11 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.720 1.259 18226 3738 1 11 . 1 1 47 47 GLY H H 47 8.425 8.425 7.808 0.617 18226 3739 1 11 . 1 1 48 48 LEU N N 48 120.699 120.699 115.291 5.408 18226 3740 1 11 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.776 -0.476 18226 3741 1 11 . 1 1 48 48 LEU C C 48 179.482 179.482 175.826 3.656 18226 3742 1 11 . 1 1 48 48 LEU CA C 48 57.445 57.445 54.887 2.558 18226 3743 1 11 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.300 -0.734 18226 3744 1 11 . 1 1 48 48 LEU H H 48 7.956 7.956 7.612 0.344 18226 3745 1 11 . 1 1 49 49 VAL N N 49 120.101 120.101 118.914 1.187 18226 3746 1 11 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.234 -0.355 18226 3747 1 11 . 1 1 49 49 VAL C C 49 177.535 177.535 177.461 0.074 18226 3748 1 11 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.186 1.676 18226 3749 1 11 . 1 1 49 49 VAL CB C 49 31.779 31.779 34.264 -2.485 18226 3750 1 11 . 1 1 49 49 VAL H H 49 7.919 7.919 7.911 0.008 18226 3751 1 11 . 1 1 50 50 LEU N N 50 119.268 119.268 119.017 0.251 18226 3752 1 11 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.281 -0.238 18226 3753 1 11 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.464 0.381 18226 3754 1 11 . 1 1 50 50 LEU CB C 50 41.877 41.877 41.402 0.475 18226 3755 1 11 . 1 1 50 50 LEU H H 50 7.731 7.731 8.185 -0.454 18226 3756 1 11 . 1 1 51 51 TRP N N 51 118.033 118.033 118.686 -0.653 18226 3757 1 11 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.490 0.102 18226 3758 1 11 . 1 1 51 51 TRP C C 51 177.302 177.302 176.342 0.960 18226 3759 1 11 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.900 -0.111 18226 3760 1 11 . 1 1 51 51 TRP CB C 51 30.207 30.207 28.802 1.405 18226 3761 1 11 . 1 1 51 51 TRP H H 51 8.070 8.070 8.193 -0.123 18226 3762 1 11 . 1 1 52 52 THR N N 52 113.014 113.014 111.498 1.516 18226 3763 1 11 . 1 1 52 52 THR HA H 52 3.746 3.746 4.658 -0.912 18226 3764 1 11 . 1 1 52 52 THR C C 52 176.361 176.361 174.019 2.342 18226 3765 1 11 . 1 1 52 52 THR CA C 52 66.443 66.443 61.575 4.867 18226 3766 1 11 . 1 1 52 52 THR CB C 52 69.017 69.017 68.906 0.111 18226 3767 1 11 . 1 1 52 52 THR H H 52 8.101 8.101 7.593 0.508 18226 3768 1 11 . 1 1 53 53 VAL N N 53 120.231 120.231 119.437 0.794 18226 3769 1 11 . 1 1 53 53 VAL HA H 53 3.678 3.678 4.105 -0.427 18226 3770 1 11 . 1 1 53 53 VAL C C 53 177.482 177.482 175.292 2.190 18226 3771 1 11 . 1 1 53 53 VAL CA C 53 66.158 66.158 63.624 2.534 18226 3772 1 11 . 1 1 53 53 VAL CB C 53 31.767 31.767 34.018 -2.251 18226 3773 1 11 . 1 1 53 53 VAL H H 53 7.905 7.905 7.998 -0.093 18226 3774 1 11 . 1 1 54 54 PHE N N 54 118.609 118.609 118.625 -0.016 18226 3775 1 11 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.609 -0.376 18226 3776 1 11 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.630 2.036 18226 3777 1 11 . 1 1 54 54 PHE CB C 54 39.258 39.258 39.949 -0.691 18226 3778 1 11 . 1 1 54 54 PHE H H 54 8.025 8.025 8.455 -0.430 18226 3779 1 11 . 1 1 55 55 ARG N N 55 117.305 117.305 118.847 -1.542 18226 3780 1 11 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.168 -0.360 18226 3781 1 11 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.220 0.490 18226 3782 1 11 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.780 -1.117 18226 3783 1 11 . 1 1 55 55 ARG H H 55 8.025 8.025 7.804 0.221 18226 3784 1 11 . 1 1 56 56 LYS N N 56 118.321 118.321 118.435 -0.114 18226 3785 1 11 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.496 0.674 18226 3786 1 11 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.018 -0.578 18226 3787 1 11 . 1 1 56 56 LYS CB C 56 32.929 32.929 32.041 0.888 18226 3788 1 11 . 1 1 56 56 LYS H H 56 7.717 7.717 8.452 -0.735 18226 3789 1 11 . 1 1 57 57 LYS N N 57 118.349 118.349 115.730 2.619 18226 3790 1 11 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.320 -0.031 18226 3791 1 11 . 1 1 57 57 LYS C C 57 176.891 176.891 176.142 0.749 18226 3792 1 11 . 1 1 57 57 LYS CA C 57 56.373 56.373 55.712 0.661 18226 3793 1 11 . 1 1 57 57 LYS CB C 57 32.864 32.864 31.410 1.454 18226 3794 1 11 . 1 1 57 57 LYS H H 57 7.872 7.872 7.473 0.399 18226 3795 1 11 . 1 1 58 58 GLY N N 58 107.442 107.442 107.119 0.323 18226 3796 1 11 . 1 1 58 58 GLY C C 58 173.263 173.263 173.694 -0.431 18226 3797 1 11 . 1 1 58 58 GLY CA C 58 45.557 45.557 45.394 0.163 18226 3798 1 11 . 1 1 58 58 GLY H H 58 8.060 8.060 7.506 0.554 18226 3799 1 11 . 1 1 59 59 HIS N N 59 116.928 116.928 117.768 -0.840 18226 3800 1 11 . 1 1 59 59 HIS HA H 59 4.668 4.668 3.993 0.675 18226 3801 1 11 . 1 1 59 59 HIS C C 59 173.935 173.935 173.377 0.558 18226 3802 1 11 . 1 1 59 59 HIS CA C 59 55.085 55.085 55.943 -0.858 18226 3803 1 11 . 1 1 59 59 HIS CB C 59 29.223 29.223 27.589 1.634 18226 3804 1 11 . 1 1 59 59 HIS H H 59 8.076 8.076 8.312 -0.236 18226 3805 1 11 . 1 1 60 60 HIS N N 60 119.187 119.187 113.993 5.194 18226 3806 1 11 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.217 0.454 18226 3807 1 11 . 1 1 60 60 HIS C C 60 173.926 173.926 174.290 -0.364 18226 3808 1 11 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.272 -0.843 18226 3809 1 11 . 1 1 60 60 HIS CB C 60 29.157 29.157 28.476 0.681 18226 3810 1 11 . 1 1 60 60 HIS H H 60 8.547 8.547 8.198 0.349 18226 3811 1 11 . 1 1 61 61 HIS N N 61 120.017 120.017 118.048 1.969 18226 3812 1 11 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.124 0.543 18226 3813 1 11 . 1 1 61 61 HIS C C 61 173.994 173.994 174.962 -0.968 18226 3814 1 11 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.760 -1.327 18226 3815 1 11 . 1 1 61 61 HIS CB C 61 29.201 29.201 28.426 0.775 18226 3816 1 11 . 1 1 61 61 HIS H H 61 8.662 8.662 8.987 -0.325 18226 3817 1 11 . 1 1 62 62 HIS N N 62 120.463 120.463 120.455 0.008 18226 3818 1 11 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.312 0.345 18226 3819 1 11 . 1 1 62 62 HIS C C 62 173.939 173.939 175.450 -1.511 18226 3820 1 11 . 1 1 62 62 HIS CA C 62 55.376 55.376 58.159 -2.783 18226 3821 1 11 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.717 -1.426 18226 3822 1 11 . 1 1 62 62 HIS H H 62 8.729 8.729 8.282 0.447 18226 3823 1 11 . 1 1 63 63 HIS N N 63 120.370 120.370 118.392 1.978 18226 3824 1 11 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.724 -0.066 18226 3825 1 11 . 1 1 63 63 HIS C C 63 173.564 173.564 174.478 -0.914 18226 3826 1 11 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.081 0.527 18226 3827 1 11 . 1 1 63 63 HIS CB C 63 29.365 29.365 29.013 0.352 18226 3828 1 11 . 1 1 63 63 HIS H H 63 8.619 8.619 8.230 0.389 18226 3829 1 12 . 1 1 2 2 GLU N N 2 123.545 123.545 123.091 0.454 18226 3830 1 12 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.334 0.052 18226 3831 1 12 . 1 1 2 2 GLU C C 2 175.742 175.742 176.009 -0.267 18226 3832 1 12 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.966 -0.603 18226 3833 1 12 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.907 -1.152 18226 3834 1 12 . 1 1 2 2 GLU H H 2 8.765 8.765 8.822 -0.057 18226 3835 1 12 . 1 1 3 3 GLU N N 3 122.227 122.227 124.847 -2.620 18226 3836 1 12 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.320 0.013 18226 3837 1 12 . 1 1 3 3 GLU C C 3 176.636 176.636 177.594 -0.958 18226 3838 1 12 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.736 -0.248 18226 3839 1 12 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.128 -0.371 18226 3840 1 12 . 1 1 3 3 GLU H H 3 8.550 8.550 8.736 -0.186 18226 3841 1 12 . 1 1 4 4 GLY N N 4 110.108 110.108 108.107 2.001 18226 3842 1 12 . 1 1 4 4 GLY C C 4 174.548 174.548 174.283 0.265 18226 3843 1 12 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.267 0.208 18226 3844 1 12 . 1 1 4 4 GLY H H 4 8.453 8.453 8.268 0.185 18226 3845 1 12 . 1 1 5 5 GLY N N 5 108.466 108.466 109.524 -1.058 18226 3846 1 12 . 1 1 5 5 GLY C C 5 173.790 173.790 173.773 0.017 18226 3847 1 12 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.763 -0.399 18226 3848 1 12 . 1 1 5 5 GLY H H 5 8.168 8.168 8.037 0.131 18226 3849 1 12 . 1 1 6 6 ASP N N 6 119.764 119.764 118.251 1.513 18226 3850 1 12 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.331 0.252 18226 3851 1 12 . 1 1 6 6 ASP C C 6 175.811 175.811 175.368 0.443 18226 3852 1 12 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.851 -0.859 18226 3853 1 12 . 1 1 6 6 ASP CB C 6 40.257 40.257 39.894 0.363 18226 3854 1 12 . 1 1 6 6 ASP H H 6 8.187 8.187 8.627 -0.440 18226 3855 1 12 . 1 1 7 7 PHE N N 7 119.941 119.941 118.360 1.581 18226 3856 1 12 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.608 -0.042 18226 3857 1 12 . 1 1 7 7 PHE C C 7 175.636 175.636 173.795 1.841 18226 3858 1 12 . 1 1 7 7 PHE CA C 7 58.071 58.071 57.880 0.191 18226 3859 1 12 . 1 1 7 7 PHE CB C 7 39.319 39.319 40.188 -0.869 18226 3860 1 12 . 1 1 7 7 PHE H H 7 8.103 8.103 7.649 0.454 18226 3861 1 12 . 1 1 8 8 ASP N N 8 120.418 120.418 121.447 -1.029 18226 3862 1 12 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.697 -0.160 18226 3863 1 12 . 1 1 8 8 ASP C C 8 175.548 175.548 175.240 0.308 18226 3864 1 12 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.243 0.130 18226 3865 1 12 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.144 -0.758 18226 3866 1 12 . 1 1 8 8 ASP H H 8 8.177 8.177 8.376 -0.199 18226 3867 1 12 . 1 1 9 9 ASN N N 9 118.260 118.260 117.985 0.275 18226 3868 1 12 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.677 -0.090 18226 3869 1 12 . 1 1 9 9 ASN C C 9 174.782 174.782 175.075 -0.293 18226 3870 1 12 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.920 -0.523 18226 3871 1 12 . 1 1 9 9 ASN CB C 9 38.762 38.762 38.739 0.023 18226 3872 1 12 . 1 1 9 9 ASN H H 9 8.057 8.057 8.064 -0.007 18226 3873 1 12 . 1 1 10 10 TYR N N 10 120.145 120.145 119.248 0.897 18226 3874 1 12 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.075 0.364 18226 3875 1 12 . 1 1 10 10 TYR C C 10 175.520 175.520 173.913 1.607 18226 3876 1 12 . 1 1 10 10 TYR CA C 10 58.369 58.369 58.272 0.097 18226 3877 1 12 . 1 1 10 10 TYR CB C 10 38.749 38.749 38.280 0.469 18226 3878 1 12 . 1 1 10 10 TYR H H 10 7.951 7.951 8.107 -0.156 18226 3879 1 12 . 1 1 11 11 TYR N N 11 121.223 121.223 112.823 8.400 18226 3880 1 12 . 1 1 11 11 TYR HA H 11 4.499 4.499 3.913 0.586 18226 3881 1 12 . 1 1 11 11 TYR C C 11 175.974 175.974 174.786 1.188 18226 3882 1 12 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.244 -0.171 18226 3883 1 12 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.866 2.805 18226 3884 1 12 . 1 1 11 11 TYR H H 11 7.971 7.971 7.648 0.323 18226 3885 1 12 . 1 1 12 12 GLY N N 12 109.861 109.861 105.717 4.144 18226 3886 1 12 . 1 1 12 12 GLY C C 12 173.775 173.775 173.277 0.498 18226 3887 1 12 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.504 -0.124 18226 3888 1 12 . 1 1 12 12 GLY H H 12 7.769 7.769 7.832 -0.063 18226 3889 1 12 . 1 1 13 13 ALA N N 13 123.378 123.378 122.143 1.235 18226 3890 1 12 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.187 0.115 18226 3891 1 12 . 1 1 13 13 ALA C C 13 177.509 177.509 176.163 1.346 18226 3892 1 12 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.734 -0.107 18226 3893 1 12 . 1 1 13 13 ALA CB C 13 19.444 19.444 18.868 0.576 18226 3894 1 12 . 1 1 13 13 ALA H H 13 7.975 7.975 7.757 0.218 18226 3895 1 12 . 1 1 14 14 ASP N N 14 118.494 118.494 116.126 2.368 18226 3896 1 12 . 1 1 14 14 ASP HA H 14 4.634 4.634 3.591 1.043 18226 3897 1 12 . 1 1 14 14 ASP C C 14 175.747 175.747 174.728 1.019 18226 3898 1 12 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.371 -0.369 18226 3899 1 12 . 1 1 14 14 ASP CB C 14 40.162 40.162 39.218 0.945 18226 3900 1 12 . 1 1 14 14 ASP H H 14 8.307 8.307 8.406 -0.099 18226 3901 1 12 . 1 1 15 15 ASN N N 15 118.834 118.834 115.825 3.009 18226 3902 1 12 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.705 -0.043 18226 3903 1 12 . 1 1 15 15 ASN C C 15 175.258 175.258 174.805 0.453 18226 3904 1 12 . 1 1 15 15 ASN CA C 15 53.515 53.515 52.973 0.542 18226 3905 1 12 . 1 1 15 15 ASN CB C 15 38.757 38.757 39.162 -0.405 18226 3906 1 12 . 1 1 15 15 ASN H H 15 8.221 8.221 7.908 0.313 18226 3907 1 12 . 1 1 16 16 GLN N N 16 120.413 120.413 119.250 1.163 18226 3908 1 12 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.284 0.071 18226 3909 1 12 . 1 1 16 16 GLN C C 16 176.096 176.096 176.316 -0.220 18226 3910 1 12 . 1 1 16 16 GLN CA C 16 56.240 56.240 56.936 -0.696 18226 3911 1 12 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.641 0.729 18226 3912 1 12 . 1 1 16 16 GLN H H 16 8.295 8.295 8.316 -0.021 18226 3913 1 12 . 1 1 17 17 SER N N 17 116.692 116.692 115.080 1.612 18226 3914 1 12 . 1 1 17 17 SER HA H 17 4.428 4.428 4.383 0.045 18226 3915 1 12 . 1 1 17 17 SER C C 17 174.523 174.523 173.868 0.655 18226 3916 1 12 . 1 1 17 17 SER CA C 17 58.683 58.683 58.579 0.104 18226 3917 1 12 . 1 1 17 17 SER CB C 17 63.794 63.794 63.687 0.107 18226 3918 1 12 . 1 1 17 17 SER H H 17 8.267 8.267 7.800 0.467 18226 3919 1 12 . 1 1 18 18 GLU N N 18 122.142 122.142 120.246 1.896 18226 3920 1 12 . 1 1 18 18 GLU HA H 18 4.363 4.363 3.996 0.367 18226 3921 1 12 . 1 1 18 18 GLU C C 18 175.937 175.937 174.702 1.235 18226 3922 1 12 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.950 -0.645 18226 3923 1 12 . 1 1 18 18 GLU CB C 18 29.506 29.506 28.954 0.552 18226 3924 1 12 . 1 1 18 18 GLU H H 18 8.330 8.330 8.566 -0.236 18226 3925 1 12 . 1 1 19 19 CYS N N 19 120.077 120.077 122.537 -2.460 18226 3926 1 12 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.624 -0.192 18226 3927 1 12 . 1 1 19 19 CYS C C 19 174.442 174.442 174.253 0.189 18226 3928 1 12 . 1 1 19 19 CYS CA C 19 58.613 58.613 58.272 0.341 18226 3929 1 12 . 1 1 19 19 CYS CB C 19 27.999 27.999 28.074 -0.075 18226 3930 1 12 . 1 1 19 19 CYS H H 19 8.276 8.276 8.438 -0.162 18226 3931 1 12 . 1 1 20 20 GLU N N 20 123.369 123.369 125.397 -2.028 18226 3932 1 12 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.394 -0.091 18226 3933 1 12 . 1 1 20 20 GLU C C 20 175.858 175.858 175.383 0.475 18226 3934 1 12 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.039 0.417 18226 3935 1 12 . 1 1 20 20 GLU CB C 20 29.150 29.150 28.486 0.664 18226 3936 1 12 . 1 1 20 20 GLU H H 20 8.400 8.400 8.863 -0.463 18226 3937 1 12 . 1 1 21 21 TYR N N 21 119.980 119.980 119.181 0.799 18226 3938 1 12 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.157 0.387 18226 3939 1 12 . 1 1 21 21 TYR C C 21 175.669 175.669 176.002 -0.333 18226 3940 1 12 . 1 1 21 21 TYR CA C 21 58.103 58.103 60.038 -1.935 18226 3941 1 12 . 1 1 21 21 TYR CB C 21 38.677 38.677 36.855 1.822 18226 3942 1 12 . 1 1 21 21 TYR H H 21 7.991 7.991 8.526 -0.535 18226 3943 1 12 . 1 1 22 22 THR N N 22 113.984 113.984 114.003 -0.019 18226 3944 1 12 . 1 1 22 22 THR HA H 22 4.164 4.164 4.153 0.011 18226 3945 1 12 . 1 1 22 22 THR C C 22 174.259 174.259 174.659 -0.400 18226 3946 1 12 . 1 1 22 22 THR CA C 22 62.381 62.381 64.178 -1.797 18226 3947 1 12 . 1 1 22 22 THR CB C 22 69.551 69.551 68.393 1.158 18226 3948 1 12 . 1 1 22 22 THR H H 22 7.821 7.821 9.017 -1.196 18226 3949 1 12 . 1 1 23 23 ASP N N 23 121.930 121.930 120.294 1.636 18226 3950 1 12 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.745 -0.074 18226 3951 1 12 . 1 1 23 23 ASP C C 23 176.164 176.164 176.652 -0.488 18226 3952 1 12 . 1 1 23 23 ASP CA C 23 53.681 53.681 53.485 0.196 18226 3953 1 12 . 1 1 23 23 ASP CB C 23 39.606 39.606 40.197 -0.591 18226 3954 1 12 . 1 1 23 23 ASP H H 23 8.106 8.106 8.801 -0.695 18226 3955 1 12 . 1 1 24 24 TRP N N 24 121.947 121.947 116.473 5.474 18226 3956 1 12 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.871 -0.389 18226 3957 1 12 . 1 1 24 24 TRP C C 24 176.496 176.496 175.262 1.234 18226 3958 1 12 . 1 1 24 24 TRP CA C 24 58.238 58.238 56.248 1.990 18226 3959 1 12 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.777 0.412 18226 3960 1 12 . 1 1 24 24 TRP H H 24 7.991 7.991 7.933 0.058 18226 3961 1 12 . 1 1 25 25 LYS N N 25 119.673 119.673 115.501 4.172 18226 3962 1 12 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.302 -0.313 18226 3963 1 12 . 1 1 25 25 LYS C C 25 176.770 176.770 176.273 0.497 18226 3964 1 12 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.770 1.697 18226 3965 1 12 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.506 0.447 18226 3966 1 12 . 1 1 25 25 LYS H H 25 7.588 7.588 7.236 0.352 18226 3967 1 12 . 1 1 26 26 SER N N 26 114.157 114.157 116.158 -2.001 18226 3968 1 12 . 1 1 26 26 SER HA H 26 4.462 4.462 4.462 0.000 18226 3969 1 12 . 1 1 26 26 SER C C 26 175.126 175.126 175.639 -0.513 18226 3970 1 12 . 1 1 26 26 SER CA C 26 58.673 58.673 60.189 -1.516 18226 3971 1 12 . 1 1 26 26 SER CB C 26 63.801 63.801 63.812 -0.011 18226 3972 1 12 . 1 1 26 26 SER H H 26 7.823 7.823 7.893 -0.070 18226 3973 1 12 . 1 1 27 27 SER N N 27 117.353 117.353 115.732 1.621 18226 3974 1 12 . 1 1 27 27 SER HA H 27 4.288 4.288 4.421 -0.133 18226 3975 1 12 . 1 1 27 27 SER C C 27 175.598 175.598 174.687 0.911 18226 3976 1 12 . 1 1 27 27 SER CA C 27 60.216 60.216 58.612 1.604 18226 3977 1 12 . 1 1 27 27 SER CB C 27 63.684 63.684 63.065 0.619 18226 3978 1 12 . 1 1 27 27 SER H H 27 8.178 8.178 7.697 0.481 18226 3979 1 12 . 1 1 28 28 GLY N N 28 110.249 110.249 106.933 3.316 18226 3980 1 12 . 1 1 28 28 GLY C C 28 174.667 174.667 173.151 1.516 18226 3981 1 12 . 1 1 28 28 GLY CA C 28 46.276 46.276 44.838 1.438 18226 3982 1 12 . 1 1 28 28 GLY H H 28 8.359 8.359 7.630 0.729 18226 3983 1 12 . 1 1 29 29 ALA N N 29 121.959 121.959 122.438 -0.479 18226 3984 1 12 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.578 -0.250 18226 3985 1 12 . 1 1 29 29 ALA C C 29 177.873 177.873 176.961 0.912 18226 3986 1 12 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.320 -0.059 18226 3987 1 12 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.873 -0.236 18226 3988 1 12 . 1 1 29 29 ALA H H 29 7.931 7.931 7.923 0.008 18226 3989 1 12 . 1 1 30 30 LEU N N 30 117.460 117.460 113.258 4.202 18226 3990 1 12 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.561 -0.353 18226 3991 1 12 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.799 1.593 18226 3992 1 12 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.192 0.413 18226 3993 1 12 . 1 1 30 30 LEU H H 30 7.924 7.924 7.688 0.236 18226 3994 1 12 . 1 1 31 31 ILE N N 31 117.379 117.379 122.471 -5.092 18226 3995 1 12 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.091 -0.168 18226 3996 1 12 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.470 2.541 18226 3997 1 12 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.265 -1.042 18226 3998 1 12 . 1 1 31 31 ILE H H 31 8.100 8.100 8.254 -0.154 18226 3999 1 12 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.525 -0.207 18226 4000 1 12 . 1 1 32 32 PRO C C 32 178.706 178.706 175.558 3.148 18226 4001 1 12 . 1 1 32 32 PRO CA C 32 66.031 66.031 62.901 3.130 18226 4002 1 12 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.950 0.317 18226 4003 1 12 . 1 1 33 33 ALA N N 33 119.040 119.040 121.611 -2.571 18226 4004 1 12 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.474 -0.279 18226 4005 1 12 . 1 1 33 33 ALA C C 33 179.052 179.052 178.241 0.811 18226 4006 1 12 . 1 1 33 33 ALA CA C 33 55.393 55.393 53.060 2.333 18226 4007 1 12 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.546 -2.015 18226 4008 1 12 . 1 1 33 33 ALA H H 33 7.462 7.462 7.557 -0.095 18226 4009 1 12 . 1 1 34 34 ILE N N 34 118.037 118.037 116.218 1.819 18226 4010 1 12 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.207 -0.485 18226 4011 1 12 . 1 1 34 34 ILE C C 34 177.827 177.827 177.124 0.703 18226 4012 1 12 . 1 1 34 34 ILE CA C 34 65.023 65.023 63.437 1.586 18226 4013 1 12 . 1 1 34 34 ILE CB C 34 37.341 37.341 38.364 -1.023 18226 4014 1 12 . 1 1 34 34 ILE H H 34 8.176 8.176 7.438 0.738 18226 4015 1 12 . 1 1 35 35 TYR N N 35 118.783 118.783 121.581 -2.798 18226 4016 1 12 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.140 0.005 18226 4017 1 12 . 1 1 35 35 TYR C C 35 178.062 178.062 177.413 0.649 18226 4018 1 12 . 1 1 35 35 TYR CA C 35 61.548 61.548 62.287 -0.739 18226 4019 1 12 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.038 -0.296 18226 4020 1 12 . 1 1 35 35 TYR H H 35 8.306 8.306 7.972 0.334 18226 4021 1 12 . 1 1 36 36 MET N N 36 118.068 118.068 118.272 -0.204 18226 4022 1 12 . 1 1 36 36 MET HA H 36 4.317 4.317 4.332 -0.015 18226 4023 1 12 . 1 1 36 36 MET C C 36 178.183 178.183 178.144 0.039 18226 4024 1 12 . 1 1 36 36 MET CA C 36 58.533 58.533 59.276 -0.743 18226 4025 1 12 . 1 1 36 36 MET CB C 36 32.288 32.288 32.103 0.185 18226 4026 1 12 . 1 1 36 36 MET H H 36 8.090 8.090 7.991 0.099 18226 4027 1 12 . 1 1 37 37 LEU N N 37 120.316 120.316 118.254 2.062 18226 4028 1 12 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.103 0.012 18226 4029 1 12 . 1 1 37 37 LEU C C 37 178.353 178.353 178.355 -0.002 18226 4030 1 12 . 1 1 37 37 LEU CA C 37 58.330 58.330 57.023 1.307 18226 4031 1 12 . 1 1 37 37 LEU CB C 37 41.914 41.914 40.599 1.315 18226 4032 1 12 . 1 1 37 37 LEU H H 37 8.106 8.106 7.927 0.179 18226 4033 1 12 . 1 1 38 38 VAL N N 38 118.385 118.385 116.791 1.594 18226 4034 1 12 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.896 -0.367 18226 4035 1 12 . 1 1 38 38 VAL C C 38 178.216 178.216 177.582 0.634 18226 4036 1 12 . 1 1 38 38 VAL CA C 38 67.042 67.042 64.705 2.337 18226 4037 1 12 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.351 -0.726 18226 4038 1 12 . 1 1 38 38 VAL H H 38 8.305 8.305 7.190 1.115 18226 4039 1 12 . 1 1 39 39 PHE N N 39 120.216 120.216 121.822 -1.606 18226 4040 1 12 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.126 0.135 18226 4041 1 12 . 1 1 39 39 PHE C C 39 178.597 178.597 175.498 3.099 18226 4042 1 12 . 1 1 39 39 PHE CA C 39 61.320 61.320 61.504 -0.184 18226 4043 1 12 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.289 -0.400 18226 4044 1 12 . 1 1 39 39 PHE H H 39 8.196 8.196 8.061 0.135 18226 4045 1 12 . 1 1 40 40 LEU N N 40 120.772 120.772 115.611 5.161 18226 4046 1 12 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.346 -0.296 18226 4047 1 12 . 1 1 40 40 LEU C C 40 179.666 179.666 175.391 4.275 18226 4048 1 12 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.154 3.752 18226 4049 1 12 . 1 1 40 40 LEU CB C 40 42.340 42.340 42.033 0.307 18226 4050 1 12 . 1 1 40 40 LEU H H 40 8.452 8.452 7.402 1.050 18226 4051 1 12 . 1 1 41 41 LEU N N 41 119.185 119.185 119.500 -0.315 18226 4052 1 12 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.571 -0.472 18226 4053 1 12 . 1 1 41 41 LEU C C 41 178.878 178.878 176.530 2.348 18226 4054 1 12 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.514 0.872 18226 4055 1 12 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.810 -1.955 18226 4056 1 12 . 1 1 41 41 LEU H H 41 8.435 8.435 8.176 0.259 18226 4057 1 12 . 1 1 42 42 GLY N N 42 105.718 105.718 107.274 -1.556 18226 4058 1 12 . 1 1 42 42 GLY C C 42 174.908 174.908 174.486 0.422 18226 4059 1 12 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.918 -0.276 18226 4060 1 12 . 1 1 42 42 GLY H H 42 8.208 8.208 8.147 0.061 18226 4061 1 12 . 1 1 43 43 THR N N 43 111.959 111.959 112.257 -0.298 18226 4062 1 12 . 1 1 43 43 THR HA H 43 4.348 4.348 4.360 -0.012 18226 4063 1 12 . 1 1 43 43 THR C C 43 175.665 175.665 174.037 1.628 18226 4064 1 12 . 1 1 43 43 THR CA C 43 63.097 63.097 62.553 0.544 18226 4065 1 12 . 1 1 43 43 THR CB C 43 69.867 69.867 69.345 0.522 18226 4066 1 12 . 1 1 43 43 THR H H 43 7.789 7.789 7.320 0.469 18226 4067 1 12 . 1 1 44 44 THR N N 44 113.271 113.271 114.383 -1.112 18226 4068 1 12 . 1 1 44 44 THR HA H 44 4.308 4.308 3.779 0.529 18226 4069 1 12 . 1 1 44 44 THR C C 44 175.754 175.754 175.327 0.427 18226 4070 1 12 . 1 1 44 44 THR CA C 44 63.194 63.194 63.654 -0.459 18226 4071 1 12 . 1 1 44 44 THR CB C 44 70.171 70.171 67.424 2.747 18226 4072 1 12 . 1 1 44 44 THR H H 44 7.833 7.833 7.941 -0.108 18226 4073 1 12 . 1 1 45 45 GLY N N 45 109.879 109.879 109.696 0.183 18226 4074 1 12 . 1 1 45 45 GLY C C 45 175.221 175.221 174.643 0.578 18226 4075 1 12 . 1 1 45 45 GLY CA C 45 46.539 46.539 44.899 1.640 18226 4076 1 12 . 1 1 45 45 GLY H H 45 8.259 8.259 8.209 0.050 18226 4077 1 12 . 1 1 46 46 ASN N N 46 117.998 117.998 117.558 0.440 18226 4078 1 12 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.825 -0.213 18226 4079 1 12 . 1 1 46 46 ASN C C 46 176.215 176.215 176.365 -0.150 18226 4080 1 12 . 1 1 46 46 ASN CA C 46 54.840 54.840 53.468 1.373 18226 4081 1 12 . 1 1 46 46 ASN CB C 46 38.566 38.566 39.656 -1.090 18226 4082 1 12 . 1 1 46 46 ASN H H 46 8.235 8.235 8.598 -0.363 18226 4083 1 12 . 1 1 47 47 GLY N N 47 106.990 106.990 107.186 -0.196 18226 4084 1 12 . 1 1 47 47 GLY C C 47 174.659 174.659 174.373 0.286 18226 4085 1 12 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.279 1.700 18226 4086 1 12 . 1 1 47 47 GLY H H 47 8.425 8.425 7.612 0.813 18226 4087 1 12 . 1 1 48 48 LEU N N 48 120.699 120.699 119.333 1.366 18226 4088 1 12 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.585 -0.285 18226 4089 1 12 . 1 1 48 48 LEU C C 48 179.482 179.482 176.900 2.582 18226 4090 1 12 . 1 1 48 48 LEU CA C 48 57.445 57.445 54.537 2.908 18226 4091 1 12 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.574 -0.008 18226 4092 1 12 . 1 1 48 48 LEU H H 48 7.956 7.956 8.021 -0.065 18226 4093 1 12 . 1 1 49 49 VAL N N 49 120.101 120.101 117.578 2.523 18226 4094 1 12 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.005 -0.126 18226 4095 1 12 . 1 1 49 49 VAL C C 49 177.535 177.535 176.740 0.795 18226 4096 1 12 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.617 1.245 18226 4097 1 12 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.824 -1.045 18226 4098 1 12 . 1 1 49 49 VAL H H 49 7.919 7.919 7.575 0.344 18226 4099 1 12 . 1 1 50 50 LEU N N 50 119.268 119.268 114.094 5.174 18226 4100 1 12 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.711 -0.668 18226 4101 1 12 . 1 1 50 50 LEU CA C 50 57.845 57.845 55.949 1.896 18226 4102 1 12 . 1 1 50 50 LEU CB C 50 41.877 41.877 43.293 -1.416 18226 4103 1 12 . 1 1 50 50 LEU H H 50 7.731 7.731 7.811 -0.080 18226 4104 1 12 . 1 1 51 51 TRP N N 51 118.033 118.033 121.654 -3.621 18226 4105 1 12 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.588 0.004 18226 4106 1 12 . 1 1 51 51 TRP C C 51 177.302 177.302 176.149 1.153 18226 4107 1 12 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.073 0.716 18226 4108 1 12 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.105 1.102 18226 4109 1 12 . 1 1 51 51 TRP H H 51 8.070 8.070 8.503 -0.433 18226 4110 1 12 . 1 1 52 52 THR N N 52 113.014 113.014 115.129 -2.115 18226 4111 1 12 . 1 1 52 52 THR HA H 52 3.746 3.746 4.040 -0.294 18226 4112 1 12 . 1 1 52 52 THR C C 52 176.361 176.361 175.683 0.678 18226 4113 1 12 . 1 1 52 52 THR CA C 52 66.443 66.443 65.575 0.868 18226 4114 1 12 . 1 1 52 52 THR CB C 52 69.017 69.017 68.878 0.139 18226 4115 1 12 . 1 1 52 52 THR H H 52 8.101 8.101 7.929 0.172 18226 4116 1 12 . 1 1 53 53 VAL N N 53 120.231 120.231 120.430 -0.199 18226 4117 1 12 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.616 0.062 18226 4118 1 12 . 1 1 53 53 VAL C C 53 177.482 177.482 177.305 0.177 18226 4119 1 12 . 1 1 53 53 VAL CA C 53 66.158 66.158 65.784 0.374 18226 4120 1 12 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.656 0.111 18226 4121 1 12 . 1 1 53 53 VAL H H 53 7.905 7.905 7.459 0.446 18226 4122 1 12 . 1 1 54 54 PHE N N 54 118.609 118.609 116.731 1.878 18226 4123 1 12 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.068 0.165 18226 4124 1 12 . 1 1 54 54 PHE CA C 54 60.666 60.666 59.263 1.403 18226 4125 1 12 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.279 0.979 18226 4126 1 12 . 1 1 54 54 PHE H H 54 8.025 8.025 7.788 0.237 18226 4127 1 12 . 1 1 55 55 ARG N N 55 117.305 117.305 118.349 -1.044 18226 4128 1 12 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.174 -0.366 18226 4129 1 12 . 1 1 55 55 ARG CA C 55 57.710 57.710 56.995 0.715 18226 4130 1 12 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.452 -1.789 18226 4131 1 12 . 1 1 55 55 ARG H H 55 8.025 8.025 7.249 0.776 18226 4132 1 12 . 1 1 56 56 LYS N N 56 118.321 118.321 121.141 -2.820 18226 4133 1 12 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.931 0.239 18226 4134 1 12 . 1 1 56 56 LYS CA C 56 57.440 57.440 59.130 -1.690 18226 4135 1 12 . 1 1 56 56 LYS CB C 56 32.929 32.929 32.009 0.920 18226 4136 1 12 . 1 1 56 56 LYS H H 56 7.717 7.717 8.371 -0.654 18226 4137 1 12 . 1 1 57 57 LYS N N 57 118.349 118.349 115.761 2.588 18226 4138 1 12 . 1 1 57 57 LYS HA H 57 4.289 4.289 3.947 0.342 18226 4139 1 12 . 1 1 57 57 LYS C C 57 176.891 176.891 177.078 -0.187 18226 4140 1 12 . 1 1 57 57 LYS CA C 57 56.373 56.373 55.719 0.654 18226 4141 1 12 . 1 1 57 57 LYS CB C 57 32.864 32.864 31.701 1.163 18226 4142 1 12 . 1 1 57 57 LYS H H 57 7.872 7.872 7.502 0.370 18226 4143 1 12 . 1 1 58 58 GLY N N 58 107.442 107.442 107.916 -0.474 18226 4144 1 12 . 1 1 58 58 GLY C C 58 173.263 173.263 173.668 -0.405 18226 4145 1 12 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.965 0.592 18226 4146 1 12 . 1 1 58 58 GLY H H 58 8.060 8.060 7.857 0.203 18226 4147 1 12 . 1 1 59 59 HIS N N 59 116.928 116.928 122.713 -5.785 18226 4148 1 12 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.160 0.508 18226 4149 1 12 . 1 1 59 59 HIS C C 59 173.935 173.935 174.918 -0.983 18226 4150 1 12 . 1 1 59 59 HIS CA C 59 55.085 55.085 57.537 -2.452 18226 4151 1 12 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.591 -0.368 18226 4152 1 12 . 1 1 59 59 HIS H H 59 8.076 8.076 8.624 -0.548 18226 4153 1 12 . 1 1 60 60 HIS N N 60 119.187 119.187 120.018 -0.831 18226 4154 1 12 . 1 1 60 60 HIS HA H 60 4.671 4.671 3.787 0.884 18226 4155 1 12 . 1 1 60 60 HIS C C 60 173.926 173.926 174.749 -0.823 18226 4156 1 12 . 1 1 60 60 HIS CA C 60 55.429 55.429 57.195 -1.766 18226 4157 1 12 . 1 1 60 60 HIS CB C 60 29.157 29.157 29.905 -0.748 18226 4158 1 12 . 1 1 60 60 HIS H H 60 8.547 8.547 7.945 0.602 18226 4159 1 12 . 1 1 61 61 HIS N N 61 120.017 120.017 116.138 3.879 18226 4160 1 12 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.887 -0.220 18226 4161 1 12 . 1 1 61 61 HIS C C 61 173.994 173.994 174.180 -0.186 18226 4162 1 12 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.418 0.015 18226 4163 1 12 . 1 1 61 61 HIS CB C 61 29.201 29.201 29.857 -0.656 18226 4164 1 12 . 1 1 61 61 HIS H H 61 8.662 8.662 8.320 0.342 18226 4165 1 12 . 1 1 62 62 HIS N N 62 120.463 120.463 123.945 -3.482 18226 4166 1 12 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.046 0.611 18226 4167 1 12 . 1 1 62 62 HIS C C 62 173.939 173.939 174.126 -0.187 18226 4168 1 12 . 1 1 62 62 HIS CA C 62 55.376 55.376 56.643 -1.267 18226 4169 1 12 . 1 1 62 62 HIS CB C 62 29.291 29.291 27.933 1.358 18226 4170 1 12 . 1 1 62 62 HIS H H 62 8.729 8.729 8.972 -0.243 18226 4171 1 12 . 1 1 63 63 HIS N N 63 120.370 120.370 122.337 -1.967 18226 4172 1 12 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.682 -0.024 18226 4173 1 12 . 1 1 63 63 HIS C C 63 173.564 173.564 174.021 -0.457 18226 4174 1 12 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.395 0.213 18226 4175 1 12 . 1 1 63 63 HIS CB C 63 29.365 29.365 29.508 -0.143 18226 4176 1 12 . 1 1 63 63 HIS H H 63 8.619 8.619 8.147 0.472 18226 4177 1 13 . 1 1 2 2 GLU N N 2 123.545 123.545 120.820 2.725 18226 4178 1 13 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.233 0.153 18226 4179 1 13 . 1 1 2 2 GLU C C 2 175.742 175.742 175.670 0.072 18226 4180 1 13 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.918 -0.555 18226 4181 1 13 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.189 0.566 18226 4182 1 13 . 1 1 2 2 GLU H H 2 8.765 8.765 8.485 0.280 18226 4183 1 13 . 1 1 3 3 GLU N N 3 122.227 122.227 119.152 3.075 18226 4184 1 13 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.656 -0.323 18226 4185 1 13 . 1 1 3 3 GLU C C 3 176.636 176.636 177.423 -0.787 18226 4186 1 13 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.153 0.335 18226 4187 1 13 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.330 -0.573 18226 4188 1 13 . 1 1 3 3 GLU H H 3 8.550 8.550 8.563 -0.013 18226 4189 1 13 . 1 1 4 4 GLY N N 4 110.108 110.108 109.910 0.198 18226 4190 1 13 . 1 1 4 4 GLY C C 4 174.548 174.548 173.554 0.994 18226 4191 1 13 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.368 1.107 18226 4192 1 13 . 1 1 4 4 GLY H H 4 8.453 8.453 7.862 0.591 18226 4193 1 13 . 1 1 5 5 GLY N N 5 108.466 108.466 107.276 1.190 18226 4194 1 13 . 1 1 5 5 GLY C C 5 173.790 173.790 172.347 1.443 18226 4195 1 13 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.386 0.978 18226 4196 1 13 . 1 1 5 5 GLY H H 5 8.168 8.168 8.249 -0.081 18226 4197 1 13 . 1 1 6 6 ASP N N 6 119.764 119.764 121.377 -1.613 18226 4198 1 13 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.375 0.208 18226 4199 1 13 . 1 1 6 6 ASP C C 6 175.811 175.811 174.982 0.829 18226 4200 1 13 . 1 1 6 6 ASP CA C 6 53.992 53.992 53.855 0.137 18226 4201 1 13 . 1 1 6 6 ASP CB C 6 40.257 40.257 42.758 -2.501 18226 4202 1 13 . 1 1 6 6 ASP H H 6 8.187 8.187 7.678 0.509 18226 4203 1 13 . 1 1 7 7 PHE N N 7 119.941 119.941 116.162 3.779 18226 4204 1 13 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.546 0.020 18226 4205 1 13 . 1 1 7 7 PHE C C 7 175.636 175.636 175.500 0.136 18226 4206 1 13 . 1 1 7 7 PHE CA C 7 58.071 58.071 57.722 0.349 18226 4207 1 13 . 1 1 7 7 PHE CB C 7 39.319 39.319 36.204 3.115 18226 4208 1 13 . 1 1 7 7 PHE H H 7 8.103 8.103 8.159 -0.056 18226 4209 1 13 . 1 1 8 8 ASP N N 8 120.418 120.418 116.603 3.815 18226 4210 1 13 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.797 -0.260 18226 4211 1 13 . 1 1 8 8 ASP C C 8 175.548 175.548 175.063 0.485 18226 4212 1 13 . 1 1 8 8 ASP CA C 8 54.373 54.373 53.612 0.761 18226 4213 1 13 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.925 -0.539 18226 4214 1 13 . 1 1 8 8 ASP H H 8 8.177 8.177 8.512 -0.335 18226 4215 1 13 . 1 1 9 9 ASN N N 9 118.260 118.260 118.082 0.178 18226 4216 1 13 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.863 -0.276 18226 4217 1 13 . 1 1 9 9 ASN C C 9 174.782 174.782 175.366 -0.584 18226 4218 1 13 . 1 1 9 9 ASN CA C 9 53.397 53.397 54.468 -1.071 18226 4219 1 13 . 1 1 9 9 ASN CB C 9 38.762 38.762 40.157 -1.395 18226 4220 1 13 . 1 1 9 9 ASN H H 9 8.057 8.057 8.186 -0.129 18226 4221 1 13 . 1 1 10 10 TYR N N 10 120.145 120.145 117.749 2.396 18226 4222 1 13 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.138 0.301 18226 4223 1 13 . 1 1 10 10 TYR C C 10 175.520 175.520 175.237 0.283 18226 4224 1 13 . 1 1 10 10 TYR CA C 10 58.369 58.369 58.237 0.132 18226 4225 1 13 . 1 1 10 10 TYR CB C 10 38.749 38.749 40.005 -1.256 18226 4226 1 13 . 1 1 10 10 TYR H H 10 7.951 7.951 8.399 -0.448 18226 4227 1 13 . 1 1 11 11 TYR N N 11 121.223 121.223 114.989 6.234 18226 4228 1 13 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.238 0.261 18226 4229 1 13 . 1 1 11 11 TYR C C 11 175.974 175.974 175.281 0.693 18226 4230 1 13 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.164 -0.091 18226 4231 1 13 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.857 2.814 18226 4232 1 13 . 1 1 11 11 TYR H H 11 7.971 7.971 8.454 -0.483 18226 4233 1 13 . 1 1 12 12 GLY N N 12 109.861 109.861 107.386 2.475 18226 4234 1 13 . 1 1 12 12 GLY C C 12 173.775 173.775 174.132 -0.357 18226 4235 1 13 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.253 0.127 18226 4236 1 13 . 1 1 12 12 GLY H H 12 7.769 7.769 7.960 -0.191 18226 4237 1 13 . 1 1 13 13 ALA N N 13 123.378 123.378 122.950 0.428 18226 4238 1 13 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.688 -0.386 18226 4239 1 13 . 1 1 13 13 ALA C C 13 177.509 177.509 176.584 0.925 18226 4240 1 13 . 1 1 13 13 ALA CA C 13 52.627 52.627 51.648 0.979 18226 4241 1 13 . 1 1 13 13 ALA CB C 13 19.444 19.444 18.830 0.614 18226 4242 1 13 . 1 1 13 13 ALA H H 13 7.975 7.975 7.811 0.164 18226 4243 1 13 . 1 1 14 14 ASP N N 14 118.494 118.494 118.242 0.252 18226 4244 1 13 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.674 -0.040 18226 4245 1 13 . 1 1 14 14 ASP C C 14 175.747 175.747 176.615 -0.868 18226 4246 1 13 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.138 -0.136 18226 4247 1 13 . 1 1 14 14 ASP CB C 14 40.162 40.162 41.062 -0.900 18226 4248 1 13 . 1 1 14 14 ASP H H 14 8.307 8.307 8.128 0.179 18226 4249 1 13 . 1 1 15 15 ASN N N 15 118.834 118.834 119.086 -0.252 18226 4250 1 13 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.562 0.100 18226 4251 1 13 . 1 1 15 15 ASN C C 15 175.258 175.258 174.802 0.456 18226 4252 1 13 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.912 -0.397 18226 4253 1 13 . 1 1 15 15 ASN CB C 15 38.757 38.757 37.851 0.906 18226 4254 1 13 . 1 1 15 15 ASN H H 15 8.221 8.221 8.665 -0.444 18226 4255 1 13 . 1 1 16 16 GLN N N 16 120.413 120.413 117.773 2.640 18226 4256 1 13 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.529 -0.174 18226 4257 1 13 . 1 1 16 16 GLN C C 16 176.096 176.096 175.367 0.729 18226 4258 1 13 . 1 1 16 16 GLN CA C 16 56.240 56.240 55.537 0.703 18226 4259 1 13 . 1 1 16 16 GLN CB C 16 29.370 29.370 29.483 -0.113 18226 4260 1 13 . 1 1 16 16 GLN H H 16 8.295 8.295 8.283 0.012 18226 4261 1 13 . 1 1 17 17 SER N N 17 116.692 116.692 114.645 2.047 18226 4262 1 13 . 1 1 17 17 SER HA H 17 4.428 4.428 4.684 -0.256 18226 4263 1 13 . 1 1 17 17 SER C C 17 174.523 174.523 174.076 0.447 18226 4264 1 13 . 1 1 17 17 SER CA C 17 58.683 58.683 58.534 0.149 18226 4265 1 13 . 1 1 17 17 SER CB C 17 63.794 63.794 65.481 -1.687 18226 4266 1 13 . 1 1 17 17 SER H H 17 8.267 8.267 8.171 0.096 18226 4267 1 13 . 1 1 18 18 GLU N N 18 122.142 122.142 120.144 1.998 18226 4268 1 13 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.056 0.307 18226 4269 1 13 . 1 1 18 18 GLU C C 18 175.937 175.937 174.844 1.093 18226 4270 1 13 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.447 -1.142 18226 4271 1 13 . 1 1 18 18 GLU CB C 18 29.506 29.506 28.616 0.890 18226 4272 1 13 . 1 1 18 18 GLU H H 18 8.330 8.330 8.613 -0.283 18226 4273 1 13 . 1 1 19 19 CYS N N 19 120.077 120.077 121.603 -1.526 18226 4274 1 13 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.546 -0.114 18226 4275 1 13 . 1 1 19 19 CYS C C 19 174.442 174.442 173.658 0.784 18226 4276 1 13 . 1 1 19 19 CYS CA C 19 58.613 58.613 58.378 0.235 18226 4277 1 13 . 1 1 19 19 CYS CB C 19 27.999 27.999 29.454 -1.455 18226 4278 1 13 . 1 1 19 19 CYS H H 19 8.276 8.276 8.580 -0.304 18226 4279 1 13 . 1 1 20 20 GLU N N 20 123.369 123.369 120.134 3.235 18226 4280 1 13 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.152 0.151 18226 4281 1 13 . 1 1 20 20 GLU C C 20 175.858 175.858 175.742 0.116 18226 4282 1 13 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.085 0.372 18226 4283 1 13 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.236 -0.086 18226 4284 1 13 . 1 1 20 20 GLU H H 20 8.400 8.400 8.161 0.239 18226 4285 1 13 . 1 1 21 21 TYR N N 21 119.980 119.980 119.812 0.168 18226 4286 1 13 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.608 -0.064 18226 4287 1 13 . 1 1 21 21 TYR C C 21 175.669 175.669 176.624 -0.955 18226 4288 1 13 . 1 1 21 21 TYR CA C 21 58.103 58.103 59.614 -1.511 18226 4289 1 13 . 1 1 21 21 TYR CB C 21 38.677 38.677 39.884 -1.207 18226 4290 1 13 . 1 1 21 21 TYR H H 21 7.991 7.991 8.090 -0.099 18226 4291 1 13 . 1 1 22 22 THR N N 22 113.984 113.984 112.627 1.357 18226 4292 1 13 . 1 1 22 22 THR HA H 22 4.164 4.164 4.621 -0.457 18226 4293 1 13 . 1 1 22 22 THR C C 22 174.259 174.259 173.824 0.435 18226 4294 1 13 . 1 1 22 22 THR CA C 22 62.381 62.381 62.274 0.107 18226 4295 1 13 . 1 1 22 22 THR CB C 22 69.551 69.551 69.285 0.266 18226 4296 1 13 . 1 1 22 22 THR H H 22 7.821 7.821 8.167 -0.346 18226 4297 1 13 . 1 1 23 23 ASP N N 23 121.930 121.930 120.737 1.193 18226 4298 1 13 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.943 -0.272 18226 4299 1 13 . 1 1 23 23 ASP C C 23 176.164 176.164 175.917 0.247 18226 4300 1 13 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.853 -1.172 18226 4301 1 13 . 1 1 23 23 ASP CB C 23 39.606 39.606 42.627 -3.021 18226 4302 1 13 . 1 1 23 23 ASP H H 23 8.106 8.106 8.626 -0.520 18226 4303 1 13 . 1 1 24 24 TRP N N 24 121.947 121.947 118.327 3.620 18226 4304 1 13 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.958 -0.476 18226 4305 1 13 . 1 1 24 24 TRP C C 24 176.496 176.496 176.160 0.336 18226 4306 1 13 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.872 0.366 18226 4307 1 13 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.480 -0.291 18226 4308 1 13 . 1 1 24 24 TRP H H 24 7.991 7.991 7.867 0.124 18226 4309 1 13 . 1 1 25 25 LYS N N 25 119.673 119.673 118.181 1.492 18226 4310 1 13 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.269 -0.280 18226 4311 1 13 . 1 1 25 25 LYS C C 25 176.770 176.770 175.852 0.918 18226 4312 1 13 . 1 1 25 25 LYS CA C 25 57.467 57.467 56.344 1.123 18226 4313 1 13 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.701 0.252 18226 4314 1 13 . 1 1 25 25 LYS H H 25 7.588 7.588 6.980 0.608 18226 4315 1 13 . 1 1 26 26 SER N N 26 114.157 114.157 114.988 -0.831 18226 4316 1 13 . 1 1 26 26 SER HA H 26 4.462 4.462 4.301 0.161 18226 4317 1 13 . 1 1 26 26 SER C C 26 175.126 175.126 174.259 0.867 18226 4318 1 13 . 1 1 26 26 SER CA C 26 58.673 58.673 58.512 0.161 18226 4319 1 13 . 1 1 26 26 SER CB C 26 63.801 63.801 63.156 0.645 18226 4320 1 13 . 1 1 26 26 SER H H 26 7.823 7.823 7.458 0.365 18226 4321 1 13 . 1 1 27 27 SER N N 27 117.353 117.353 118.385 -1.032 18226 4322 1 13 . 1 1 27 27 SER HA H 27 4.288 4.288 4.437 -0.149 18226 4323 1 13 . 1 1 27 27 SER C C 27 175.598 175.598 174.566 1.032 18226 4324 1 13 . 1 1 27 27 SER CA C 27 60.216 60.216 57.932 2.284 18226 4325 1 13 . 1 1 27 27 SER CB C 27 63.684 63.684 62.672 1.012 18226 4326 1 13 . 1 1 27 27 SER H H 27 8.178 8.178 8.451 -0.273 18226 4327 1 13 . 1 1 28 28 GLY N N 28 110.249 110.249 107.559 2.690 18226 4328 1 13 . 1 1 28 28 GLY C C 28 174.667 174.667 173.317 1.350 18226 4329 1 13 . 1 1 28 28 GLY CA C 28 46.276 46.276 44.811 1.465 18226 4330 1 13 . 1 1 28 28 GLY H H 28 8.359 8.359 7.674 0.685 18226 4331 1 13 . 1 1 29 29 ALA N N 29 121.959 121.959 122.308 -0.349 18226 4332 1 13 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.583 -0.255 18226 4333 1 13 . 1 1 29 29 ALA C C 29 177.873 177.873 176.955 0.918 18226 4334 1 13 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.120 0.141 18226 4335 1 13 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.823 -0.186 18226 4336 1 13 . 1 1 29 29 ALA H H 29 7.931 7.931 7.784 0.147 18226 4337 1 13 . 1 1 30 30 LEU N N 30 117.460 117.460 118.085 -0.625 18226 4338 1 13 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.349 -0.141 18226 4339 1 13 . 1 1 30 30 LEU CA C 30 57.392 57.392 56.199 1.193 18226 4340 1 13 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.632 -0.027 18226 4341 1 13 . 1 1 30 30 LEU H H 30 7.924 7.924 7.929 -0.005 18226 4342 1 13 . 1 1 31 31 ILE N N 31 117.379 117.379 120.350 -2.971 18226 4343 1 13 . 1 1 31 31 ILE HA H 31 3.923 3.923 3.920 0.003 18226 4344 1 13 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.475 2.536 18226 4345 1 13 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.855 -0.632 18226 4346 1 13 . 1 1 31 31 ILE H H 31 8.100 8.100 8.152 -0.052 18226 4347 1 13 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.520 -0.202 18226 4348 1 13 . 1 1 32 32 PRO C C 32 178.706 178.706 175.718 2.988 18226 4349 1 13 . 1 1 32 32 PRO CA C 32 66.031 66.031 62.944 3.087 18226 4350 1 13 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.274 0.993 18226 4351 1 13 . 1 1 33 33 ALA N N 33 119.040 119.040 121.098 -2.058 18226 4352 1 13 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.493 -0.298 18226 4353 1 13 . 1 1 33 33 ALA C C 33 179.052 179.052 177.075 1.977 18226 4354 1 13 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.555 2.838 18226 4355 1 13 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.445 -1.914 18226 4356 1 13 . 1 1 33 33 ALA H H 33 7.462 7.462 7.921 -0.459 18226 4357 1 13 . 1 1 34 34 ILE N N 34 118.037 118.037 114.971 3.066 18226 4358 1 13 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.391 -0.669 18226 4359 1 13 . 1 1 34 34 ILE C C 34 177.827 177.827 177.375 0.452 18226 4360 1 13 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.141 2.882 18226 4361 1 13 . 1 1 34 34 ILE CB C 34 37.341 37.341 38.954 -1.613 18226 4362 1 13 . 1 1 34 34 ILE H H 34 8.176 8.176 7.501 0.675 18226 4363 1 13 . 1 1 35 35 TYR N N 35 118.783 118.783 121.893 -3.110 18226 4364 1 13 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.213 -0.068 18226 4365 1 13 . 1 1 35 35 TYR C C 35 178.062 178.062 177.656 0.406 18226 4366 1 13 . 1 1 35 35 TYR CA C 35 61.548 61.548 62.001 -0.453 18226 4367 1 13 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.855 -0.113 18226 4368 1 13 . 1 1 35 35 TYR H H 35 8.306 8.306 7.915 0.391 18226 4369 1 13 . 1 1 36 36 MET N N 36 118.068 118.068 115.993 2.075 18226 4370 1 13 . 1 1 36 36 MET HA H 36 4.317 4.317 4.390 -0.073 18226 4371 1 13 . 1 1 36 36 MET C C 36 178.183 178.183 177.583 0.600 18226 4372 1 13 . 1 1 36 36 MET CA C 36 58.533 58.533 57.354 1.179 18226 4373 1 13 . 1 1 36 36 MET CB C 36 32.288 32.288 31.997 0.291 18226 4374 1 13 . 1 1 36 36 MET H H 36 8.090 8.090 8.081 0.009 18226 4375 1 13 . 1 1 37 37 LEU N N 37 120.316 120.316 119.074 1.242 18226 4376 1 13 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.357 -0.242 18226 4377 1 13 . 1 1 37 37 LEU C C 37 178.353 178.353 177.211 1.142 18226 4378 1 13 . 1 1 37 37 LEU CA C 37 58.330 58.330 55.765 2.565 18226 4379 1 13 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.793 0.121 18226 4380 1 13 . 1 1 37 37 LEU H H 37 8.106 8.106 8.447 -0.341 18226 4381 1 13 . 1 1 38 38 VAL N N 38 118.385 118.385 115.948 2.437 18226 4382 1 13 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.235 -0.706 18226 4383 1 13 . 1 1 38 38 VAL C C 38 178.216 178.216 177.327 0.889 18226 4384 1 13 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.459 3.583 18226 4385 1 13 . 1 1 38 38 VAL CB C 38 31.625 31.625 31.709 -0.084 18226 4386 1 13 . 1 1 38 38 VAL H H 38 8.305 8.305 7.392 0.913 18226 4387 1 13 . 1 1 39 39 PHE N N 39 120.216 120.216 123.143 -2.927 18226 4388 1 13 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.048 0.213 18226 4389 1 13 . 1 1 39 39 PHE C C 39 178.597 178.597 176.220 2.377 18226 4390 1 13 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.806 -1.486 18226 4391 1 13 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.305 -0.416 18226 4392 1 13 . 1 1 39 39 PHE H H 39 8.196 8.196 7.668 0.528 18226 4393 1 13 . 1 1 40 40 LEU N N 40 120.772 120.772 116.923 3.849 18226 4394 1 13 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.360 -0.310 18226 4395 1 13 . 1 1 40 40 LEU C C 40 179.666 179.666 175.686 3.980 18226 4396 1 13 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.631 3.275 18226 4397 1 13 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.205 1.135 18226 4398 1 13 . 1 1 40 40 LEU H H 40 8.452 8.452 7.719 0.733 18226 4399 1 13 . 1 1 41 41 LEU N N 41 119.185 119.185 120.845 -1.660 18226 4400 1 13 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.555 -0.456 18226 4401 1 13 . 1 1 41 41 LEU C C 41 178.878 178.878 176.627 2.251 18226 4402 1 13 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.208 1.178 18226 4403 1 13 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.669 -1.814 18226 4404 1 13 . 1 1 41 41 LEU H H 41 8.435 8.435 7.739 0.696 18226 4405 1 13 . 1 1 42 42 GLY N N 42 105.718 105.718 108.190 -2.472 18226 4406 1 13 . 1 1 42 42 GLY C C 42 174.908 174.908 174.477 0.431 18226 4407 1 13 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.745 -0.103 18226 4408 1 13 . 1 1 42 42 GLY H H 42 8.208 8.208 8.192 0.016 18226 4409 1 13 . 1 1 43 43 THR N N 43 111.959 111.959 113.129 -1.170 18226 4410 1 13 . 1 1 43 43 THR HA H 43 4.348 4.348 4.265 0.083 18226 4411 1 13 . 1 1 43 43 THR C C 43 175.665 175.665 174.514 1.151 18226 4412 1 13 . 1 1 43 43 THR CA C 43 63.097 63.097 62.879 0.218 18226 4413 1 13 . 1 1 43 43 THR CB C 43 69.867 69.867 69.198 0.669 18226 4414 1 13 . 1 1 43 43 THR H H 43 7.789 7.789 7.501 0.288 18226 4415 1 13 . 1 1 44 44 THR N N 44 113.271 113.271 115.773 -2.502 18226 4416 1 13 . 1 1 44 44 THR HA H 44 4.308 4.308 3.928 0.380 18226 4417 1 13 . 1 1 44 44 THR C C 44 175.754 175.754 175.611 0.143 18226 4418 1 13 . 1 1 44 44 THR CA C 44 63.194 63.194 63.798 -0.604 18226 4419 1 13 . 1 1 44 44 THR CB C 44 70.171 70.171 68.165 2.006 18226 4420 1 13 . 1 1 44 44 THR H H 44 7.833 7.833 7.930 -0.097 18226 4421 1 13 . 1 1 45 45 GLY N N 45 109.879 109.879 109.392 0.487 18226 4422 1 13 . 1 1 45 45 GLY C C 45 175.221 175.221 174.693 0.528 18226 4423 1 13 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.123 1.416 18226 4424 1 13 . 1 1 45 45 GLY H H 45 8.259 8.259 8.121 0.138 18226 4425 1 13 . 1 1 46 46 ASN N N 46 117.998 117.998 116.335 1.663 18226 4426 1 13 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.947 -0.335 18226 4427 1 13 . 1 1 46 46 ASN C C 46 176.215 176.215 175.367 0.848 18226 4428 1 13 . 1 1 46 46 ASN CA C 46 54.840 54.840 53.190 1.650 18226 4429 1 13 . 1 1 46 46 ASN CB C 46 38.566 38.566 40.331 -1.765 18226 4430 1 13 . 1 1 46 46 ASN H H 46 8.235 8.235 8.395 -0.160 18226 4431 1 13 . 1 1 47 47 GLY N N 47 106.990 106.990 108.820 -1.830 18226 4432 1 13 . 1 1 47 47 GLY C C 47 174.659 174.659 174.294 0.365 18226 4433 1 13 . 1 1 47 47 GLY CA C 47 46.979 46.979 46.005 0.974 18226 4434 1 13 . 1 1 47 47 GLY H H 47 8.425 8.425 7.790 0.635 18226 4435 1 13 . 1 1 48 48 LEU N N 48 120.699 120.699 119.453 1.246 18226 4436 1 13 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.569 -0.269 18226 4437 1 13 . 1 1 48 48 LEU C C 48 179.482 179.482 176.274 3.208 18226 4438 1 13 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.873 1.572 18226 4439 1 13 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.413 0.153 18226 4440 1 13 . 1 1 48 48 LEU H H 48 7.956 7.956 8.000 -0.044 18226 4441 1 13 . 1 1 49 49 VAL N N 49 120.101 120.101 116.749 3.352 18226 4442 1 13 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.103 -0.224 18226 4443 1 13 . 1 1 49 49 VAL C C 49 177.535 177.535 176.019 1.516 18226 4444 1 13 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.180 2.682 18226 4445 1 13 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.163 -0.384 18226 4446 1 13 . 1 1 49 49 VAL H H 49 7.919 7.919 7.566 0.353 18226 4447 1 13 . 1 1 50 50 LEU N N 50 119.268 119.268 120.129 -0.861 18226 4448 1 13 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.496 -0.453 18226 4449 1 13 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.355 1.490 18226 4450 1 13 . 1 1 50 50 LEU CB C 50 41.877 41.877 43.110 -1.233 18226 4451 1 13 . 1 1 50 50 LEU H H 50 7.731 7.731 7.571 0.160 18226 4452 1 13 . 1 1 51 51 TRP N N 51 118.033 118.033 121.215 -3.182 18226 4453 1 13 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.258 0.334 18226 4454 1 13 . 1 1 51 51 TRP C C 51 177.302 177.302 176.717 0.585 18226 4455 1 13 . 1 1 51 51 TRP CA C 51 59.789 59.789 60.664 -0.875 18226 4456 1 13 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.152 1.054 18226 4457 1 13 . 1 1 51 51 TRP H H 51 8.070 8.070 7.738 0.332 18226 4458 1 13 . 1 1 52 52 THR N N 52 113.014 113.014 112.469 0.545 18226 4459 1 13 . 1 1 52 52 THR HA H 52 3.746 3.746 3.935 -0.189 18226 4460 1 13 . 1 1 52 52 THR C C 52 176.361 176.361 176.095 0.266 18226 4461 1 13 . 1 1 52 52 THR CA C 52 66.443 66.443 65.180 1.263 18226 4462 1 13 . 1 1 52 52 THR CB C 52 69.017 69.017 68.731 0.286 18226 4463 1 13 . 1 1 52 52 THR H H 52 8.101 8.101 7.648 0.453 18226 4464 1 13 . 1 1 53 53 VAL N N 53 120.231 120.231 120.953 -0.722 18226 4465 1 13 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.510 0.168 18226 4466 1 13 . 1 1 53 53 VAL C C 53 177.482 177.482 177.452 0.030 18226 4467 1 13 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.734 -0.576 18226 4468 1 13 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.382 0.385 18226 4469 1 13 . 1 1 53 53 VAL H H 53 7.905 7.905 8.277 -0.372 18226 4470 1 13 . 1 1 54 54 PHE N N 54 118.609 118.609 118.184 0.425 18226 4471 1 13 . 1 1 54 54 PHE HA H 54 4.233 4.233 3.851 0.382 18226 4472 1 13 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.931 1.735 18226 4473 1 13 . 1 1 54 54 PHE CB C 54 39.258 39.258 36.291 2.967 18226 4474 1 13 . 1 1 54 54 PHE H H 54 8.025 8.025 7.970 0.055 18226 4475 1 13 . 1 1 55 55 ARG N N 55 117.305 117.305 120.498 -3.193 18226 4476 1 13 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.571 -0.763 18226 4477 1 13 . 1 1 55 55 ARG CA C 55 57.710 57.710 56.981 0.729 18226 4478 1 13 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.650 -1.987 18226 4479 1 13 . 1 1 55 55 ARG H H 55 8.025 8.025 8.212 -0.187 18226 4480 1 13 . 1 1 56 56 LYS N N 56 118.321 118.321 120.391 -2.070 18226 4481 1 13 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.010 0.160 18226 4482 1 13 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.610 -1.170 18226 4483 1 13 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.525 1.404 18226 4484 1 13 . 1 1 56 56 LYS H H 56 7.717 7.717 7.708 0.009 18226 4485 1 13 . 1 1 57 57 LYS N N 57 118.349 118.349 117.654 0.695 18226 4486 1 13 . 1 1 57 57 LYS HA H 57 4.289 4.289 3.949 0.340 18226 4487 1 13 . 1 1 57 57 LYS C C 57 176.891 176.891 177.095 -0.204 18226 4488 1 13 . 1 1 57 57 LYS CA C 57 56.373 56.373 58.221 -1.848 18226 4489 1 13 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.663 0.201 18226 4490 1 13 . 1 1 57 57 LYS H H 57 7.872 7.872 7.440 0.432 18226 4491 1 13 . 1 1 58 58 GLY N N 58 107.442 107.442 103.571 3.871 18226 4492 1 13 . 1 1 58 58 GLY C C 58 173.263 173.263 174.079 -0.816 18226 4493 1 13 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.668 0.889 18226 4494 1 13 . 1 1 58 58 GLY H H 58 8.060 8.060 7.625 0.435 18226 4495 1 13 . 1 1 59 59 HIS N N 59 116.928 116.928 118.001 -1.073 18226 4496 1 13 . 1 1 59 59 HIS HA H 59 4.668 4.668 3.960 0.708 18226 4497 1 13 . 1 1 59 59 HIS C C 59 173.935 173.935 175.783 -1.848 18226 4498 1 13 . 1 1 59 59 HIS CA C 59 55.085 55.085 59.683 -4.598 18226 4499 1 13 . 1 1 59 59 HIS CB C 59 29.223 29.223 28.030 1.193 18226 4500 1 13 . 1 1 59 59 HIS H H 59 8.076 8.076 8.491 -0.415 18226 4501 1 13 . 1 1 60 60 HIS N N 60 119.187 119.187 118.843 0.344 18226 4502 1 13 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.386 0.285 18226 4503 1 13 . 1 1 60 60 HIS C C 60 173.926 173.926 174.642 -0.716 18226 4504 1 13 . 1 1 60 60 HIS CA C 60 55.429 55.429 55.288 0.141 18226 4505 1 13 . 1 1 60 60 HIS CB C 60 29.157 29.157 30.035 -0.878 18226 4506 1 13 . 1 1 60 60 HIS H H 60 8.547 8.547 7.968 0.579 18226 4507 1 13 . 1 1 61 61 HIS N N 61 120.017 120.017 114.752 5.265 18226 4508 1 13 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.350 0.317 18226 4509 1 13 . 1 1 61 61 HIS C C 61 173.994 173.994 174.173 -0.179 18226 4510 1 13 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.570 -1.137 18226 4511 1 13 . 1 1 61 61 HIS CB C 61 29.201 29.201 28.488 0.713 18226 4512 1 13 . 1 1 61 61 HIS H H 61 8.662 8.662 8.214 0.448 18226 4513 1 13 . 1 1 62 62 HIS N N 62 120.463 120.463 120.923 -0.460 18226 4514 1 13 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.710 -0.053 18226 4515 1 13 . 1 1 62 62 HIS C C 62 173.939 173.939 173.951 -0.012 18226 4516 1 13 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.734 -0.358 18226 4517 1 13 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.425 -1.134 18226 4518 1 13 . 1 1 62 62 HIS H H 62 8.729 8.729 8.474 0.255 18226 4519 1 13 . 1 1 63 63 HIS N N 63 120.370 120.370 121.567 -1.197 18226 4520 1 13 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.789 -0.131 18226 4521 1 13 . 1 1 63 63 HIS C C 63 173.564 173.564 174.922 -1.358 18226 4522 1 13 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.803 -0.195 18226 4523 1 13 . 1 1 63 63 HIS CB C 63 29.365 29.365 28.900 0.465 18226 4524 1 13 . 1 1 63 63 HIS H H 63 8.619 8.619 8.560 0.059 18226 4525 1 14 . 1 1 2 2 GLU N N 2 123.545 123.545 122.777 0.768 18226 4526 1 14 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.394 -0.008 18226 4527 1 14 . 1 1 2 2 GLU C C 2 175.742 175.742 176.111 -0.369 18226 4528 1 14 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.681 -0.318 18226 4529 1 14 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.098 -0.343 18226 4530 1 14 . 1 1 2 2 GLU H H 2 8.765 8.765 8.720 0.045 18226 4531 1 14 . 1 1 3 3 GLU N N 3 122.227 122.227 116.663 5.564 18226 4532 1 14 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.080 0.253 18226 4533 1 14 . 1 1 3 3 GLU C C 3 176.636 176.636 175.298 1.338 18226 4534 1 14 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.840 -0.352 18226 4535 1 14 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.551 0.206 18226 4536 1 14 . 1 1 3 3 GLU H H 3 8.550 8.550 8.136 0.414 18226 4537 1 14 . 1 1 4 4 GLY N N 4 110.108 110.108 106.441 3.667 18226 4538 1 14 . 1 1 4 4 GLY C C 4 174.548 174.548 173.254 1.294 18226 4539 1 14 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.321 0.154 18226 4540 1 14 . 1 1 4 4 GLY H H 4 8.453 8.453 8.218 0.235 18226 4541 1 14 . 1 1 5 5 GLY N N 5 108.466 108.466 111.931 -3.465 18226 4542 1 14 . 1 1 5 5 GLY C C 5 173.790 173.790 172.926 0.864 18226 4543 1 14 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.685 -0.321 18226 4544 1 14 . 1 1 5 5 GLY H H 5 8.168 8.168 8.149 0.019 18226 4545 1 14 . 1 1 6 6 ASP N N 6 119.764 119.764 121.095 -1.331 18226 4546 1 14 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.805 -0.222 18226 4547 1 14 . 1 1 6 6 ASP C C 6 175.811 175.811 175.703 0.108 18226 4548 1 14 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.319 -0.327 18226 4549 1 14 . 1 1 6 6 ASP CB C 6 40.257 40.257 42.280 -2.023 18226 4550 1 14 . 1 1 6 6 ASP H H 6 8.187 8.187 8.713 -0.526 18226 4551 1 14 . 1 1 7 7 PHE N N 7 119.941 119.941 116.765 3.176 18226 4552 1 14 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.799 -0.233 18226 4553 1 14 . 1 1 7 7 PHE C C 7 175.636 175.636 173.525 2.111 18226 4554 1 14 . 1 1 7 7 PHE CA C 7 58.071 58.071 56.676 1.395 18226 4555 1 14 . 1 1 7 7 PHE CB C 7 39.319 39.319 39.059 0.260 18226 4556 1 14 . 1 1 7 7 PHE H H 7 8.103 8.103 7.317 0.786 18226 4557 1 14 . 1 1 8 8 ASP N N 8 120.418 120.418 121.993 -1.575 18226 4558 1 14 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.699 -0.162 18226 4559 1 14 . 1 1 8 8 ASP C C 8 175.548 175.548 175.044 0.504 18226 4560 1 14 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.324 0.049 18226 4561 1 14 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.791 -0.405 18226 4562 1 14 . 1 1 8 8 ASP H H 8 8.177 8.177 8.361 -0.184 18226 4563 1 14 . 1 1 9 9 ASN N N 9 118.260 118.260 115.647 2.613 18226 4564 1 14 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.521 0.066 18226 4565 1 14 . 1 1 9 9 ASN C C 9 174.782 174.782 175.017 -0.235 18226 4566 1 14 . 1 1 9 9 ASN CA C 9 53.397 53.397 52.369 1.028 18226 4567 1 14 . 1 1 9 9 ASN CB C 9 38.762 38.762 38.420 0.342 18226 4568 1 14 . 1 1 9 9 ASN H H 9 8.057 8.057 7.979 0.078 18226 4569 1 14 . 1 1 10 10 TYR N N 10 120.145 120.145 118.495 1.650 18226 4570 1 14 . 1 1 10 10 TYR HA H 10 4.439 4.439 3.868 0.571 18226 4571 1 14 . 1 1 10 10 TYR C C 10 175.520 175.520 174.698 0.822 18226 4572 1 14 . 1 1 10 10 TYR CA C 10 58.369 58.369 58.557 -0.188 18226 4573 1 14 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.882 0.867 18226 4574 1 14 . 1 1 10 10 TYR H H 10 7.951 7.951 8.117 -0.166 18226 4575 1 14 . 1 1 11 11 TYR N N 11 121.223 121.223 114.522 6.701 18226 4576 1 14 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.194 0.305 18226 4577 1 14 . 1 1 11 11 TYR C C 11 175.974 175.974 175.794 0.180 18226 4578 1 14 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.234 -0.161 18226 4579 1 14 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.868 2.803 18226 4580 1 14 . 1 1 11 11 TYR H H 11 7.971 7.971 7.495 0.476 18226 4581 1 14 . 1 1 12 12 GLY N N 12 109.861 109.861 104.897 4.964 18226 4582 1 14 . 1 1 12 12 GLY C C 12 173.775 173.775 173.387 0.388 18226 4583 1 14 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.780 -0.400 18226 4584 1 14 . 1 1 12 12 GLY H H 12 7.769 7.769 8.083 -0.314 18226 4585 1 14 . 1 1 13 13 ALA N N 13 123.378 123.378 124.104 -0.726 18226 4586 1 14 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.309 -0.007 18226 4587 1 14 . 1 1 13 13 ALA C C 13 177.509 177.509 175.785 1.724 18226 4588 1 14 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.253 0.374 18226 4589 1 14 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.103 0.341 18226 4590 1 14 . 1 1 13 13 ALA H H 13 7.975 7.975 7.841 0.134 18226 4591 1 14 . 1 1 14 14 ASP N N 14 118.494 118.494 119.128 -0.634 18226 4592 1 14 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.364 0.270 18226 4593 1 14 . 1 1 14 14 ASP C C 14 175.747 175.747 174.138 1.609 18226 4594 1 14 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.314 -0.312 18226 4595 1 14 . 1 1 14 14 ASP CB C 14 40.162 40.162 39.254 0.908 18226 4596 1 14 . 1 1 14 14 ASP H H 14 8.307 8.307 8.546 -0.239 18226 4597 1 14 . 1 1 15 15 ASN N N 15 118.834 118.834 114.902 3.932 18226 4598 1 14 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.556 0.106 18226 4599 1 14 . 1 1 15 15 ASN C C 15 175.258 175.258 176.140 -0.882 18226 4600 1 14 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.015 0.500 18226 4601 1 14 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.965 -0.208 18226 4602 1 14 . 1 1 15 15 ASN H H 15 8.221 8.221 8.065 0.156 18226 4603 1 14 . 1 1 16 16 GLN N N 16 120.413 120.413 120.181 0.232 18226 4604 1 14 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.021 0.334 18226 4605 1 14 . 1 1 16 16 GLN C C 16 176.096 176.096 175.388 0.708 18226 4606 1 14 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.667 -1.427 18226 4607 1 14 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.103 1.267 18226 4608 1 14 . 1 1 16 16 GLN H H 16 8.295 8.295 8.300 -0.005 18226 4609 1 14 . 1 1 17 17 SER N N 17 116.692 116.692 112.793 3.899 18226 4610 1 14 . 1 1 17 17 SER HA H 17 4.428 4.428 4.474 -0.046 18226 4611 1 14 . 1 1 17 17 SER C C 17 174.523 174.523 172.386 2.137 18226 4612 1 14 . 1 1 17 17 SER CA C 17 58.683 58.683 58.178 0.505 18226 4613 1 14 . 1 1 17 17 SER CB C 17 63.794 63.794 63.742 0.052 18226 4614 1 14 . 1 1 17 17 SER H H 17 8.267 8.267 7.795 0.472 18226 4615 1 14 . 1 1 18 18 GLU N N 18 122.142 122.142 122.844 -0.702 18226 4616 1 14 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.431 -0.068 18226 4617 1 14 . 1 1 18 18 GLU C C 18 175.937 175.937 175.029 0.908 18226 4618 1 14 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.231 0.074 18226 4619 1 14 . 1 1 18 18 GLU CB C 18 29.506 29.506 31.544 -2.038 18226 4620 1 14 . 1 1 18 18 GLU H H 18 8.330 8.330 7.851 0.479 18226 4621 1 14 . 1 1 19 19 CYS N N 19 120.077 120.077 118.162 1.915 18226 4622 1 14 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.287 0.145 18226 4623 1 14 . 1 1 19 19 CYS C C 19 174.442 174.442 175.065 -0.623 18226 4624 1 14 . 1 1 19 19 CYS CA C 19 58.613 58.613 60.026 -1.413 18226 4625 1 14 . 1 1 19 19 CYS CB C 19 27.999 27.999 26.802 1.197 18226 4626 1 14 . 1 1 19 19 CYS H H 19 8.276 8.276 9.066 -0.790 18226 4627 1 14 . 1 1 20 20 GLU N N 20 123.369 123.369 119.175 4.194 18226 4628 1 14 . 1 1 20 20 GLU HA H 20 4.303 4.303 3.980 0.323 18226 4629 1 14 . 1 1 20 20 GLU C C 20 175.858 175.858 178.047 -2.189 18226 4630 1 14 . 1 1 20 20 GLU CA C 20 56.457 56.457 57.737 -1.280 18226 4631 1 14 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.276 -0.126 18226 4632 1 14 . 1 1 20 20 GLU H H 20 8.400 8.400 8.487 -0.087 18226 4633 1 14 . 1 1 21 21 TYR N N 21 119.980 119.980 120.493 -0.513 18226 4634 1 14 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.445 0.099 18226 4635 1 14 . 1 1 21 21 TYR C C 21 175.669 175.669 174.808 0.861 18226 4636 1 14 . 1 1 21 21 TYR CA C 21 58.103 58.103 58.106 -0.003 18226 4637 1 14 . 1 1 21 21 TYR CB C 21 38.677 38.677 37.275 1.402 18226 4638 1 14 . 1 1 21 21 TYR H H 21 7.991 7.991 7.904 0.087 18226 4639 1 14 . 1 1 22 22 THR N N 22 113.984 113.984 112.287 1.697 18226 4640 1 14 . 1 1 22 22 THR HA H 22 4.164 4.164 4.155 0.009 18226 4641 1 14 . 1 1 22 22 THR C C 22 174.259 174.259 173.790 0.469 18226 4642 1 14 . 1 1 22 22 THR CA C 22 62.381 62.381 63.382 -1.001 18226 4643 1 14 . 1 1 22 22 THR CB C 22 69.551 69.551 67.874 1.677 18226 4644 1 14 . 1 1 22 22 THR H H 22 7.821 7.821 8.071 -0.250 18226 4645 1 14 . 1 1 23 23 ASP N N 23 121.930 121.930 116.189 5.741 18226 4646 1 14 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.874 -0.203 18226 4647 1 14 . 1 1 23 23 ASP C C 23 176.164 176.164 176.444 -0.280 18226 4648 1 14 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.191 -0.510 18226 4649 1 14 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.603 -1.997 18226 4650 1 14 . 1 1 23 23 ASP H H 23 8.106 8.106 8.297 -0.191 18226 4651 1 14 . 1 1 24 24 TRP N N 24 121.947 121.947 119.901 2.046 18226 4652 1 14 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.876 -0.394 18226 4653 1 14 . 1 1 24 24 TRP C C 24 176.496 176.496 174.932 1.564 18226 4654 1 14 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.115 1.123 18226 4655 1 14 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.954 0.235 18226 4656 1 14 . 1 1 24 24 TRP H H 24 7.991 7.991 7.973 0.018 18226 4657 1 14 . 1 1 25 25 LYS N N 25 119.673 119.673 114.449 5.224 18226 4658 1 14 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.261 -0.272 18226 4659 1 14 . 1 1 25 25 LYS C C 25 176.770 176.770 175.036 1.734 18226 4660 1 14 . 1 1 25 25 LYS CA C 25 57.467 57.467 56.139 1.328 18226 4661 1 14 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.500 0.453 18226 4662 1 14 . 1 1 25 25 LYS H H 25 7.588 7.588 7.168 0.420 18226 4663 1 14 . 1 1 26 26 SER N N 26 114.157 114.157 116.568 -2.411 18226 4664 1 14 . 1 1 26 26 SER HA H 26 4.462 4.462 4.504 -0.042 18226 4665 1 14 . 1 1 26 26 SER C C 26 175.126 175.126 174.508 0.618 18226 4666 1 14 . 1 1 26 26 SER CA C 26 58.673 58.673 57.739 0.934 18226 4667 1 14 . 1 1 26 26 SER CB C 26 63.801 63.801 63.717 0.084 18226 4668 1 14 . 1 1 26 26 SER H H 26 7.823 7.823 7.615 0.207 18226 4669 1 14 . 1 1 27 27 SER N N 27 117.353 117.353 118.889 -1.536 18226 4670 1 14 . 1 1 27 27 SER HA H 27 4.288 4.288 4.476 -0.188 18226 4671 1 14 . 1 1 27 27 SER C C 27 175.598 175.598 174.343 1.255 18226 4672 1 14 . 1 1 27 27 SER CA C 27 60.216 60.216 59.736 0.480 18226 4673 1 14 . 1 1 27 27 SER CB C 27 63.684 63.684 62.895 0.789 18226 4674 1 14 . 1 1 27 27 SER H H 27 8.178 8.178 8.579 -0.401 18226 4675 1 14 . 1 1 28 28 GLY N N 28 110.249 110.249 106.855 3.394 18226 4676 1 14 . 1 1 28 28 GLY C C 28 174.667 174.667 173.476 1.191 18226 4677 1 14 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.494 0.782 18226 4678 1 14 . 1 1 28 28 GLY H H 28 8.359 8.359 7.383 0.976 18226 4679 1 14 . 1 1 29 29 ALA N N 29 121.959 121.959 121.869 0.090 18226 4680 1 14 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.654 -0.326 18226 4681 1 14 . 1 1 29 29 ALA C C 29 177.873 177.873 176.678 1.195 18226 4682 1 14 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.047 0.214 18226 4683 1 14 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.700 -0.063 18226 4684 1 14 . 1 1 29 29 ALA H H 29 7.931 7.931 7.752 0.179 18226 4685 1 14 . 1 1 30 30 LEU N N 30 117.460 117.460 118.270 -0.810 18226 4686 1 14 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.339 -0.131 18226 4687 1 14 . 1 1 30 30 LEU CA C 30 57.392 57.392 56.110 1.282 18226 4688 1 14 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.469 0.136 18226 4689 1 14 . 1 1 30 30 LEU H H 30 7.924 7.924 7.893 0.031 18226 4690 1 14 . 1 1 31 31 ILE N N 31 117.379 117.379 120.002 -2.623 18226 4691 1 14 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.372 -0.450 18226 4692 1 14 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.322 2.689 18226 4693 1 14 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.412 -1.189 18226 4694 1 14 . 1 1 31 31 ILE H H 31 8.100 8.100 8.157 -0.057 18226 4695 1 14 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.609 -0.291 18226 4696 1 14 . 1 1 32 32 PRO C C 32 178.706 178.706 176.401 2.305 18226 4697 1 14 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.172 2.859 18226 4698 1 14 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.944 0.323 18226 4699 1 14 . 1 1 33 33 ALA N N 33 119.040 119.040 119.772 -0.732 18226 4700 1 14 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.422 -0.227 18226 4701 1 14 . 1 1 33 33 ALA C C 33 179.052 179.052 177.312 1.740 18226 4702 1 14 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.926 2.467 18226 4703 1 14 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.501 -0.970 18226 4704 1 14 . 1 1 33 33 ALA H H 33 7.462 7.462 8.024 -0.562 18226 4705 1 14 . 1 1 34 34 ILE N N 34 118.037 118.037 113.626 4.411 18226 4706 1 14 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.206 -0.484 18226 4707 1 14 . 1 1 34 34 ILE C C 34 177.827 177.827 176.440 1.387 18226 4708 1 14 . 1 1 34 34 ILE CA C 34 65.023 65.023 61.871 3.151 18226 4709 1 14 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.666 -2.325 18226 4710 1 14 . 1 1 34 34 ILE H H 34 8.176 8.176 7.308 0.868 18226 4711 1 14 . 1 1 35 35 TYR N N 35 118.783 118.783 119.829 -1.046 18226 4712 1 14 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.473 -0.328 18226 4713 1 14 . 1 1 35 35 TYR C C 35 178.062 178.062 175.651 2.411 18226 4714 1 14 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.112 1.436 18226 4715 1 14 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.432 0.310 18226 4716 1 14 . 1 1 35 35 TYR H H 35 8.306 8.306 7.751 0.555 18226 4717 1 14 . 1 1 36 36 MET N N 36 118.068 118.068 116.319 1.749 18226 4718 1 14 . 1 1 36 36 MET HA H 36 4.317 4.317 4.633 -0.316 18226 4719 1 14 . 1 1 36 36 MET C C 36 178.183 178.183 176.170 2.013 18226 4720 1 14 . 1 1 36 36 MET CA C 36 58.533 58.533 55.980 2.553 18226 4721 1 14 . 1 1 36 36 MET CB C 36 32.288 32.288 33.640 -1.352 18226 4722 1 14 . 1 1 36 36 MET H H 36 8.090 8.090 7.371 0.719 18226 4723 1 14 . 1 1 37 37 LEU N N 37 120.316 120.316 120.484 -0.168 18226 4724 1 14 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.349 -0.234 18226 4725 1 14 . 1 1 37 37 LEU C C 37 178.353 178.353 177.259 1.094 18226 4726 1 14 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.167 2.163 18226 4727 1 14 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.364 0.551 18226 4728 1 14 . 1 1 37 37 LEU H H 37 8.106 8.106 8.081 0.025 18226 4729 1 14 . 1 1 38 38 VAL N N 38 118.385 118.385 115.585 2.800 18226 4730 1 14 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.095 -0.566 18226 4731 1 14 . 1 1 38 38 VAL C C 38 178.216 178.216 176.006 2.210 18226 4732 1 14 . 1 1 38 38 VAL CA C 38 67.042 67.042 62.951 4.091 18226 4733 1 14 . 1 1 38 38 VAL CB C 38 31.625 31.625 33.156 -1.531 18226 4734 1 14 . 1 1 38 38 VAL H H 38 8.305 8.305 7.417 0.888 18226 4735 1 14 . 1 1 39 39 PHE N N 39 120.216 120.216 121.786 -1.570 18226 4736 1 14 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.611 -0.350 18226 4737 1 14 . 1 1 39 39 PHE C C 39 178.597 178.597 174.322 4.275 18226 4738 1 14 . 1 1 39 39 PHE CA C 39 61.320 61.320 58.739 2.581 18226 4739 1 14 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.786 -0.897 18226 4740 1 14 . 1 1 39 39 PHE H H 39 8.196 8.196 8.004 0.192 18226 4741 1 14 . 1 1 40 40 LEU N N 40 120.772 120.772 118.349 2.423 18226 4742 1 14 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.533 -0.483 18226 4743 1 14 . 1 1 40 40 LEU C C 40 179.666 179.666 175.686 3.980 18226 4744 1 14 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.937 2.969 18226 4745 1 14 . 1 1 40 40 LEU CB C 40 42.340 42.340 40.954 1.386 18226 4746 1 14 . 1 1 40 40 LEU H H 40 8.452 8.452 7.967 0.485 18226 4747 1 14 . 1 1 41 41 LEU N N 41 119.185 119.185 115.099 4.086 18226 4748 1 14 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.558 -0.459 18226 4749 1 14 . 1 1 41 41 LEU C C 41 178.878 178.878 177.418 1.460 18226 4750 1 14 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.852 1.534 18226 4751 1 14 . 1 1 41 41 LEU CB C 41 41.855 41.855 42.400 -0.545 18226 4752 1 14 . 1 1 41 41 LEU H H 41 8.435 8.435 7.618 0.817 18226 4753 1 14 . 1 1 42 42 GLY N N 42 105.718 105.718 107.539 -1.821 18226 4754 1 14 . 1 1 42 42 GLY C C 42 174.908 174.908 173.976 0.932 18226 4755 1 14 . 1 1 42 42 GLY CA C 42 46.642 46.642 45.787 0.855 18226 4756 1 14 . 1 1 42 42 GLY H H 42 8.208 8.208 8.193 0.015 18226 4757 1 14 . 1 1 43 43 THR N N 43 111.959 111.959 112.863 -0.904 18226 4758 1 14 . 1 1 43 43 THR HA H 43 4.348 4.348 4.254 0.094 18226 4759 1 14 . 1 1 43 43 THR C C 43 175.665 175.665 174.360 1.305 18226 4760 1 14 . 1 1 43 43 THR CA C 43 63.097 63.097 62.404 0.693 18226 4761 1 14 . 1 1 43 43 THR CB C 43 69.867 69.867 68.424 1.443 18226 4762 1 14 . 1 1 43 43 THR H H 43 7.789 7.789 7.188 0.601 18226 4763 1 14 . 1 1 44 44 THR N N 44 113.271 113.271 115.837 -2.566 18226 4764 1 14 . 1 1 44 44 THR HA H 44 4.308 4.308 3.826 0.482 18226 4765 1 14 . 1 1 44 44 THR C C 44 175.754 175.754 175.431 0.323 18226 4766 1 14 . 1 1 44 44 THR CA C 44 63.194 63.194 63.647 -0.453 18226 4767 1 14 . 1 1 44 44 THR CB C 44 70.171 70.171 67.934 2.237 18226 4768 1 14 . 1 1 44 44 THR H H 44 7.833 7.833 8.291 -0.458 18226 4769 1 14 . 1 1 45 45 GLY N N 45 109.879 109.879 109.841 0.038 18226 4770 1 14 . 1 1 45 45 GLY C C 45 175.221 175.221 174.560 0.661 18226 4771 1 14 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.227 1.312 18226 4772 1 14 . 1 1 45 45 GLY H H 45 8.259 8.259 8.002 0.257 18226 4773 1 14 . 1 1 46 46 ASN N N 46 117.998 117.998 115.391 2.607 18226 4774 1 14 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.941 -0.329 18226 4775 1 14 . 1 1 46 46 ASN C C 46 176.215 176.215 175.717 0.498 18226 4776 1 14 . 1 1 46 46 ASN CA C 46 54.840 54.840 52.604 2.236 18226 4777 1 14 . 1 1 46 46 ASN CB C 46 38.566 38.566 39.376 -0.810 18226 4778 1 14 . 1 1 46 46 ASN H H 46 8.235 8.235 8.519 -0.284 18226 4779 1 14 . 1 1 47 47 GLY N N 47 106.990 106.990 108.391 -1.401 18226 4780 1 14 . 1 1 47 47 GLY C C 47 174.659 174.659 174.346 0.313 18226 4781 1 14 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.448 1.531 18226 4782 1 14 . 1 1 47 47 GLY H H 47 8.425 8.425 7.841 0.584 18226 4783 1 14 . 1 1 48 48 LEU N N 48 120.699 120.699 119.044 1.655 18226 4784 1 14 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.560 -0.260 18226 4785 1 14 . 1 1 48 48 LEU C C 48 179.482 179.482 177.018 2.464 18226 4786 1 14 . 1 1 48 48 LEU CA C 48 57.445 57.445 54.651 2.794 18226 4787 1 14 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.868 -0.302 18226 4788 1 14 . 1 1 48 48 LEU H H 48 7.956 7.956 7.808 0.148 18226 4789 1 14 . 1 1 49 49 VAL N N 49 120.101 120.101 118.344 1.757 18226 4790 1 14 . 1 1 49 49 VAL HA H 49 3.879 3.879 3.995 -0.116 18226 4791 1 14 . 1 1 49 49 VAL C C 49 177.535 177.535 176.904 0.631 18226 4792 1 14 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.404 1.458 18226 4793 1 14 . 1 1 49 49 VAL CB C 49 31.779 31.779 33.027 -1.248 18226 4794 1 14 . 1 1 49 49 VAL H H 49 7.919 7.919 7.709 0.210 18226 4795 1 14 . 1 1 50 50 LEU N N 50 119.268 119.268 115.031 4.237 18226 4796 1 14 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.594 -0.551 18226 4797 1 14 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.116 1.729 18226 4798 1 14 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.467 -0.590 18226 4799 1 14 . 1 1 50 50 LEU H H 50 7.731 7.731 7.692 0.039 18226 4800 1 14 . 1 1 51 51 TRP N N 51 118.033 118.033 122.129 -4.096 18226 4801 1 14 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.555 0.037 18226 4802 1 14 . 1 1 51 51 TRP C C 51 177.302 177.302 176.749 0.553 18226 4803 1 14 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.254 0.535 18226 4804 1 14 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.564 0.642 18226 4805 1 14 . 1 1 51 51 TRP H H 51 8.070 8.070 8.509 -0.439 18226 4806 1 14 . 1 1 52 52 THR N N 52 113.014 113.014 115.478 -2.464 18226 4807 1 14 . 1 1 52 52 THR HA H 52 3.746 3.746 3.801 -0.055 18226 4808 1 14 . 1 1 52 52 THR C C 52 176.361 176.361 176.028 0.333 18226 4809 1 14 . 1 1 52 52 THR CA C 52 66.443 66.443 65.567 0.876 18226 4810 1 14 . 1 1 52 52 THR CB C 52 69.017 69.017 68.780 0.237 18226 4811 1 14 . 1 1 52 52 THR H H 52 8.101 8.101 8.085 0.016 18226 4812 1 14 . 1 1 53 53 VAL N N 53 120.231 120.231 121.029 -0.798 18226 4813 1 14 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.487 0.191 18226 4814 1 14 . 1 1 53 53 VAL C C 53 177.482 177.482 177.311 0.171 18226 4815 1 14 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.253 -0.095 18226 4816 1 14 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.548 0.219 18226 4817 1 14 . 1 1 53 53 VAL H H 53 7.905 7.905 7.418 0.487 18226 4818 1 14 . 1 1 54 54 PHE N N 54 118.609 118.609 117.222 1.387 18226 4819 1 14 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.015 0.218 18226 4820 1 14 . 1 1 54 54 PHE CA C 54 60.666 60.666 61.346 -0.680 18226 4821 1 14 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.091 1.167 18226 4822 1 14 . 1 1 54 54 PHE H H 54 8.025 8.025 8.533 -0.508 18226 4823 1 14 . 1 1 55 55 ARG N N 55 117.305 117.305 118.761 -1.456 18226 4824 1 14 . 1 1 55 55 ARG HA H 55 3.808 3.808 3.706 0.102 18226 4825 1 14 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.782 -0.072 18226 4826 1 14 . 1 1 55 55 ARG CB C 55 29.663 29.663 29.676 -0.013 18226 4827 1 14 . 1 1 55 55 ARG H H 55 8.025 8.025 6.978 1.047 18226 4828 1 14 . 1 1 56 56 LYS N N 56 118.321 118.321 119.885 -1.564 18226 4829 1 14 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.904 0.266 18226 4830 1 14 . 1 1 56 56 LYS CA C 56 57.440 57.440 59.201 -1.761 18226 4831 1 14 . 1 1 56 56 LYS CB C 56 32.929 32.929 32.227 0.702 18226 4832 1 14 . 1 1 56 56 LYS H H 56 7.717 7.717 7.970 -0.253 18226 4833 1 14 . 1 1 57 57 LYS N N 57 118.349 118.349 116.352 1.997 18226 4834 1 14 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.002 0.287 18226 4835 1 14 . 1 1 57 57 LYS C C 57 176.891 176.891 177.492 -0.601 18226 4836 1 14 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.834 -1.461 18226 4837 1 14 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.660 0.204 18226 4838 1 14 . 1 1 57 57 LYS H H 57 7.872 7.872 8.145 -0.273 18226 4839 1 14 . 1 1 58 58 GLY N N 58 107.442 107.442 106.137 1.305 18226 4840 1 14 . 1 1 58 58 GLY C C 58 173.263 173.263 173.763 -0.500 18226 4841 1 14 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.652 0.905 18226 4842 1 14 . 1 1 58 58 GLY H H 58 8.060 8.060 7.337 0.723 18226 4843 1 14 . 1 1 59 59 HIS N N 59 116.928 116.928 121.513 -4.585 18226 4844 1 14 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.273 0.395 18226 4845 1 14 . 1 1 59 59 HIS C C 59 173.935 173.935 175.681 -1.746 18226 4846 1 14 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.947 -3.862 18226 4847 1 14 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.975 -0.752 18226 4848 1 14 . 1 1 59 59 HIS H H 59 8.076 8.076 8.713 -0.637 18226 4849 1 14 . 1 1 60 60 HIS N N 60 119.187 119.187 116.872 2.315 18226 4850 1 14 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.691 -0.020 18226 4851 1 14 . 1 1 60 60 HIS C C 60 173.926 173.926 175.459 -1.533 18226 4852 1 14 . 1 1 60 60 HIS CA C 60 55.429 55.429 57.410 -1.981 18226 4853 1 14 . 1 1 60 60 HIS CB C 60 29.157 29.157 31.526 -2.369 18226 4854 1 14 . 1 1 60 60 HIS H H 60 8.547 8.547 8.358 0.189 18226 4855 1 14 . 1 1 61 61 HIS N N 61 120.017 120.017 116.890 3.127 18226 4856 1 14 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.817 -0.150 18226 4857 1 14 . 1 1 61 61 HIS C C 61 173.994 173.994 173.765 0.229 18226 4858 1 14 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.988 -0.555 18226 4859 1 14 . 1 1 61 61 HIS CB C 61 29.201 29.201 30.519 -1.318 18226 4860 1 14 . 1 1 61 61 HIS H H 61 8.662 8.662 8.167 0.495 18226 4861 1 14 . 1 1 62 62 HIS N N 62 120.463 120.463 124.959 -4.496 18226 4862 1 14 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.078 0.579 18226 4863 1 14 . 1 1 62 62 HIS C C 62 173.939 173.939 173.635 0.304 18226 4864 1 14 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.755 -0.379 18226 4865 1 14 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.561 -1.270 18226 4866 1 14 . 1 1 62 62 HIS H H 62 8.729 8.729 8.815 -0.086 18226 4867 1 14 . 1 1 63 63 HIS N N 63 120.370 120.370 115.607 4.763 18226 4868 1 14 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.726 -0.068 18226 4869 1 14 . 1 1 63 63 HIS C C 63 173.564 173.564 176.026 -2.462 18226 4870 1 14 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.121 0.487 18226 4871 1 14 . 1 1 63 63 HIS CB C 63 29.365 29.365 30.397 -1.032 18226 4872 1 14 . 1 1 63 63 HIS H H 63 8.619 8.619 8.060 0.559 18226 4873 1 15 . 1 1 2 2 GLU N N 2 123.545 123.545 119.387 4.158 18226 4874 1 15 . 1 1 2 2 GLU HA H 2 4.386 4.386 3.987 0.399 18226 4875 1 15 . 1 1 2 2 GLU C C 2 175.742 175.742 175.369 0.373 18226 4876 1 15 . 1 1 2 2 GLU CA C 2 56.363 56.363 57.625 -1.262 18226 4877 1 15 . 1 1 2 2 GLU CB C 2 29.755 29.755 28.855 0.900 18226 4878 1 15 . 1 1 2 2 GLU H H 2 8.765 8.765 8.550 0.215 18226 4879 1 15 . 1 1 3 3 GLU N N 3 122.227 122.227 113.498 8.729 18226 4880 1 15 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.012 0.321 18226 4881 1 15 . 1 1 3 3 GLU C C 3 176.636 176.636 175.921 0.715 18226 4882 1 15 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.687 -0.199 18226 4883 1 15 . 1 1 3 3 GLU CB C 3 29.757 29.757 28.015 1.742 18226 4884 1 15 . 1 1 3 3 GLU H H 3 8.550 8.550 8.478 0.072 18226 4885 1 15 . 1 1 4 4 GLY N N 4 110.108 110.108 105.827 4.281 18226 4886 1 15 . 1 1 4 4 GLY C C 4 174.548 174.548 175.131 -0.583 18226 4887 1 15 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.833 -0.358 18226 4888 1 15 . 1 1 4 4 GLY H H 4 8.453 8.453 7.590 0.863 18226 4889 1 15 . 1 1 5 5 GLY N N 5 108.466 108.466 108.967 -0.501 18226 4890 1 15 . 1 1 5 5 GLY C C 5 173.790 173.790 174.467 -0.677 18226 4891 1 15 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.916 0.448 18226 4892 1 15 . 1 1 5 5 GLY H H 5 8.168 8.168 8.684 -0.516 18226 4893 1 15 . 1 1 6 6 ASP N N 6 119.764 119.764 120.709 -0.945 18226 4894 1 15 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.641 -0.058 18226 4895 1 15 . 1 1 6 6 ASP C C 6 175.811 175.811 176.694 -0.883 18226 4896 1 15 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.281 -0.289 18226 4897 1 15 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.381 -1.124 18226 4898 1 15 . 1 1 6 6 ASP H H 6 8.187 8.187 8.574 -0.387 18226 4899 1 15 . 1 1 7 7 PHE N N 7 119.941 119.941 119.746 0.195 18226 4900 1 15 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.940 -0.374 18226 4901 1 15 . 1 1 7 7 PHE C C 7 175.636 175.636 173.982 1.654 18226 4902 1 15 . 1 1 7 7 PHE CA C 7 58.071 58.071 57.285 0.786 18226 4903 1 15 . 1 1 7 7 PHE CB C 7 39.319 39.319 40.408 -1.089 18226 4904 1 15 . 1 1 7 7 PHE H H 7 8.103 8.103 7.911 0.192 18226 4905 1 15 . 1 1 8 8 ASP N N 8 120.418 120.418 118.873 1.545 18226 4906 1 15 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.787 -0.250 18226 4907 1 15 . 1 1 8 8 ASP C C 8 175.548 175.548 174.860 0.688 18226 4908 1 15 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.179 0.194 18226 4909 1 15 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.365 -0.979 18226 4910 1 15 . 1 1 8 8 ASP H H 8 8.177 8.177 8.233 -0.056 18226 4911 1 15 . 1 1 9 9 ASN N N 9 118.260 118.260 116.624 1.636 18226 4912 1 15 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.725 -0.138 18226 4913 1 15 . 1 1 9 9 ASN C C 9 174.782 174.782 174.813 -0.031 18226 4914 1 15 . 1 1 9 9 ASN CA C 9 53.397 53.397 54.089 -0.692 18226 4915 1 15 . 1 1 9 9 ASN CB C 9 38.762 38.762 40.323 -1.561 18226 4916 1 15 . 1 1 9 9 ASN H H 9 8.057 8.057 8.484 -0.427 18226 4917 1 15 . 1 1 10 10 TYR N N 10 120.145 120.145 118.123 2.022 18226 4918 1 15 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.253 0.186 18226 4919 1 15 . 1 1 10 10 TYR C C 10 175.520 175.520 174.717 0.803 18226 4920 1 15 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.085 -0.716 18226 4921 1 15 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.844 0.905 18226 4922 1 15 . 1 1 10 10 TYR H H 10 7.951 7.951 8.560 -0.609 18226 4923 1 15 . 1 1 11 11 TYR N N 11 121.223 121.223 118.650 2.573 18226 4924 1 15 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.482 0.017 18226 4925 1 15 . 1 1 11 11 TYR C C 11 175.974 175.974 175.538 0.436 18226 4926 1 15 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.542 0.531 18226 4927 1 15 . 1 1 11 11 TYR CB C 11 38.671 38.671 38.240 0.431 18226 4928 1 15 . 1 1 11 11 TYR H H 11 7.971 7.971 7.446 0.525 18226 4929 1 15 . 1 1 12 12 GLY N N 12 109.861 109.861 112.242 -2.381 18226 4930 1 15 . 1 1 12 12 GLY C C 12 173.775 173.775 173.746 0.029 18226 4931 1 15 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.436 -0.056 18226 4932 1 15 . 1 1 12 12 GLY H H 12 7.769 7.769 8.590 -0.821 18226 4933 1 15 . 1 1 13 13 ALA N N 13 123.378 123.378 122.090 1.288 18226 4934 1 15 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.315 -0.013 18226 4935 1 15 . 1 1 13 13 ALA C C 13 177.509 177.509 174.876 2.633 18226 4936 1 15 . 1 1 13 13 ALA CA C 13 52.627 52.627 51.995 0.632 18226 4937 1 15 . 1 1 13 13 ALA CB C 13 19.444 19.444 20.042 -0.598 18226 4938 1 15 . 1 1 13 13 ALA H H 13 7.975 7.975 7.795 0.180 18226 4939 1 15 . 1 1 14 14 ASP N N 14 118.494 118.494 118.871 -0.377 18226 4940 1 15 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.474 0.160 18226 4941 1 15 . 1 1 14 14 ASP C C 14 175.747 175.747 174.922 0.825 18226 4942 1 15 . 1 1 14 14 ASP CA C 14 54.002 54.002 53.641 0.361 18226 4943 1 15 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.327 -0.165 18226 4944 1 15 . 1 1 14 14 ASP H H 14 8.307 8.307 8.034 0.273 18226 4945 1 15 . 1 1 15 15 ASN N N 15 118.834 118.834 119.666 -0.832 18226 4946 1 15 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.456 0.206 18226 4947 1 15 . 1 1 15 15 ASN C C 15 175.258 175.258 176.420 -1.162 18226 4948 1 15 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.548 -0.033 18226 4949 1 15 . 1 1 15 15 ASN CB C 15 38.757 38.757 36.714 2.043 18226 4950 1 15 . 1 1 15 15 ASN H H 15 8.221 8.221 8.815 -0.594 18226 4951 1 15 . 1 1 16 16 GLN N N 16 120.413 120.413 118.626 1.787 18226 4952 1 15 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.104 0.251 18226 4953 1 15 . 1 1 16 16 GLN C C 16 176.096 176.096 175.955 0.141 18226 4954 1 15 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.664 -1.424 18226 4955 1 15 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.376 0.994 18226 4956 1 15 . 1 1 16 16 GLN H H 16 8.295 8.295 8.505 -0.210 18226 4957 1 15 . 1 1 17 17 SER N N 17 116.692 116.692 114.993 1.699 18226 4958 1 15 . 1 1 17 17 SER HA H 17 4.428 4.428 4.473 -0.045 18226 4959 1 15 . 1 1 17 17 SER C C 17 174.523 174.523 173.759 0.764 18226 4960 1 15 . 1 1 17 17 SER CA C 17 58.683 58.683 57.673 1.010 18226 4961 1 15 . 1 1 17 17 SER CB C 17 63.794 63.794 63.406 0.388 18226 4962 1 15 . 1 1 17 17 SER H H 17 8.267 8.267 7.866 0.401 18226 4963 1 15 . 1 1 18 18 GLU N N 18 122.142 122.142 124.107 -1.965 18226 4964 1 15 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.196 0.167 18226 4965 1 15 . 1 1 18 18 GLU C C 18 175.937 175.937 176.637 -0.700 18226 4966 1 15 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.551 -1.246 18226 4967 1 15 . 1 1 18 18 GLU CB C 18 29.506 29.506 29.082 0.423 18226 4968 1 15 . 1 1 18 18 GLU H H 18 8.330 8.330 7.801 0.529 18226 4969 1 15 . 1 1 19 19 CYS N N 19 120.077 120.077 122.492 -2.415 18226 4970 1 15 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.794 -0.362 18226 4971 1 15 . 1 1 19 19 CYS C C 19 174.442 174.442 174.968 -0.526 18226 4972 1 15 . 1 1 19 19 CYS CA C 19 58.613 58.613 57.601 1.012 18226 4973 1 15 . 1 1 19 19 CYS CB C 19 27.999 27.999 28.773 -0.774 18226 4974 1 15 . 1 1 19 19 CYS H H 19 8.276 8.276 8.214 0.062 18226 4975 1 15 . 1 1 20 20 GLU N N 20 123.369 123.369 120.914 2.455 18226 4976 1 15 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.440 -0.137 18226 4977 1 15 . 1 1 20 20 GLU C C 20 175.858 175.858 175.320 0.538 18226 4978 1 15 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.873 -0.416 18226 4979 1 15 . 1 1 20 20 GLU CB C 20 29.150 29.150 27.687 1.463 18226 4980 1 15 . 1 1 20 20 GLU H H 20 8.400 8.400 8.837 -0.437 18226 4981 1 15 . 1 1 21 21 TYR N N 21 119.980 119.980 120.149 -0.169 18226 4982 1 15 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.706 -0.162 18226 4983 1 15 . 1 1 21 21 TYR C C 21 175.669 175.669 175.840 -0.171 18226 4984 1 15 . 1 1 21 21 TYR CA C 21 58.103 58.103 59.486 -1.383 18226 4985 1 15 . 1 1 21 21 TYR CB C 21 38.677 38.677 42.100 -3.423 18226 4986 1 15 . 1 1 21 21 TYR H H 21 7.991 7.991 8.366 -0.375 18226 4987 1 15 . 1 1 22 22 THR N N 22 113.984 113.984 110.205 3.779 18226 4988 1 15 . 1 1 22 22 THR HA H 22 4.164 4.164 4.602 -0.438 18226 4989 1 15 . 1 1 22 22 THR C C 22 174.259 174.259 174.578 -0.319 18226 4990 1 15 . 1 1 22 22 THR CA C 22 62.381 62.381 62.240 0.141 18226 4991 1 15 . 1 1 22 22 THR CB C 22 69.551 69.551 70.361 -0.810 18226 4992 1 15 . 1 1 22 22 THR H H 22 7.821 7.821 7.833 -0.012 18226 4993 1 15 . 1 1 23 23 ASP N N 23 121.930 121.930 121.712 0.218 18226 4994 1 15 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.816 -0.145 18226 4995 1 15 . 1 1 23 23 ASP C C 23 176.164 176.164 175.766 0.398 18226 4996 1 15 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.083 -0.402 18226 4997 1 15 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.806 -2.200 18226 4998 1 15 . 1 1 23 23 ASP H H 23 8.106 8.106 8.018 0.088 18226 4999 1 15 . 1 1 24 24 TRP N N 24 121.947 121.947 117.668 4.279 18226 5000 1 15 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.747 -0.265 18226 5001 1 15 . 1 1 24 24 TRP C C 24 176.496 176.496 175.236 1.260 18226 5002 1 15 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.853 0.385 18226 5003 1 15 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.759 -0.570 18226 5004 1 15 . 1 1 24 24 TRP H H 24 7.991 7.991 7.721 0.270 18226 5005 1 15 . 1 1 25 25 LYS N N 25 119.673 119.673 115.223 4.450 18226 5006 1 15 . 1 1 25 25 LYS HA H 25 3.989 3.989 3.874 0.115 18226 5007 1 15 . 1 1 25 25 LYS C C 25 176.770 176.770 175.854 0.916 18226 5008 1 15 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.622 1.845 18226 5009 1 15 . 1 1 25 25 LYS CB C 25 31.953 31.953 30.878 1.075 18226 5010 1 15 . 1 1 25 25 LYS H H 25 7.588 7.588 7.013 0.575 18226 5011 1 15 . 1 1 26 26 SER N N 26 114.157 114.157 113.715 0.442 18226 5012 1 15 . 1 1 26 26 SER HA H 26 4.462 4.462 4.462 -0.000 18226 5013 1 15 . 1 1 26 26 SER C C 26 175.126 175.126 174.913 0.213 18226 5014 1 15 . 1 1 26 26 SER CA C 26 58.673 58.673 58.236 0.437 18226 5015 1 15 . 1 1 26 26 SER CB C 26 63.801 63.801 63.510 0.291 18226 5016 1 15 . 1 1 26 26 SER H H 26 7.823 7.823 7.624 0.199 18226 5017 1 15 . 1 1 27 27 SER N N 27 117.353 117.353 117.974 -0.621 18226 5018 1 15 . 1 1 27 27 SER HA H 27 4.288 4.288 4.508 -0.220 18226 5019 1 15 . 1 1 27 27 SER C C 27 175.598 175.598 174.406 1.192 18226 5020 1 15 . 1 1 27 27 SER CA C 27 60.216 60.216 59.143 1.073 18226 5021 1 15 . 1 1 27 27 SER CB C 27 63.684 63.684 63.147 0.537 18226 5022 1 15 . 1 1 27 27 SER H H 27 8.178 8.178 8.293 -0.115 18226 5023 1 15 . 1 1 28 28 GLY N N 28 110.249 110.249 106.607 3.642 18226 5024 1 15 . 1 1 28 28 GLY C C 28 174.667 174.667 173.181 1.486 18226 5025 1 15 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.175 1.101 18226 5026 1 15 . 1 1 28 28 GLY H H 28 8.359 8.359 7.690 0.669 18226 5027 1 15 . 1 1 29 29 ALA N N 29 121.959 121.959 122.288 -0.329 18226 5028 1 15 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.611 -0.283 18226 5029 1 15 . 1 1 29 29 ALA C C 29 177.873 177.873 176.557 1.316 18226 5030 1 15 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.056 0.205 18226 5031 1 15 . 1 1 29 29 ALA CB C 29 19.637 19.637 20.247 -0.610 18226 5032 1 15 . 1 1 29 29 ALA H H 29 7.931 7.931 7.710 0.221 18226 5033 1 15 . 1 1 30 30 LEU N N 30 117.460 117.460 118.127 -0.667 18226 5034 1 15 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.388 -0.180 18226 5035 1 15 . 1 1 30 30 LEU CA C 30 57.392 57.392 56.632 0.760 18226 5036 1 15 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.645 -0.040 18226 5037 1 15 . 1 1 30 30 LEU H H 30 7.924 7.924 7.918 0.006 18226 5038 1 15 . 1 1 31 31 ILE N N 31 117.379 117.379 120.190 -2.811 18226 5039 1 15 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.229 -0.306 18226 5040 1 15 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.574 2.437 18226 5041 1 15 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.151 -0.928 18226 5042 1 15 . 1 1 31 31 ILE H H 31 8.100 8.100 8.280 -0.180 18226 5043 1 15 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.628 -0.310 18226 5044 1 15 . 1 1 32 32 PRO C C 32 178.706 178.706 175.806 2.900 18226 5045 1 15 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.194 2.837 18226 5046 1 15 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.296 0.971 18226 5047 1 15 . 1 1 33 33 ALA N N 33 119.040 119.040 121.360 -2.320 18226 5048 1 15 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.527 -0.332 18226 5049 1 15 . 1 1 33 33 ALA C C 33 179.052 179.052 177.093 1.959 18226 5050 1 15 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.425 2.968 18226 5051 1 15 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.236 -1.705 18226 5052 1 15 . 1 1 33 33 ALA H H 33 7.462 7.462 7.980 -0.518 18226 5053 1 15 . 1 1 34 34 ILE N N 34 118.037 118.037 114.126 3.911 18226 5054 1 15 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.315 -0.593 18226 5055 1 15 . 1 1 34 34 ILE C C 34 177.827 177.827 176.826 1.001 18226 5056 1 15 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.038 2.985 18226 5057 1 15 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.600 -2.259 18226 5058 1 15 . 1 1 34 34 ILE H H 34 8.176 8.176 7.508 0.668 18226 5059 1 15 . 1 1 35 35 TYR N N 35 118.783 118.783 120.038 -1.255 18226 5060 1 15 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.465 -0.320 18226 5061 1 15 . 1 1 35 35 TYR C C 35 178.062 178.062 177.146 0.916 18226 5062 1 15 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.998 0.550 18226 5063 1 15 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.013 -0.271 18226 5064 1 15 . 1 1 35 35 TYR H H 35 8.306 8.306 7.875 0.431 18226 5065 1 15 . 1 1 36 36 MET N N 36 118.068 118.068 118.906 -0.838 18226 5066 1 15 . 1 1 36 36 MET HA H 36 4.317 4.317 4.598 -0.281 18226 5067 1 15 . 1 1 36 36 MET C C 36 178.183 178.183 177.744 0.439 18226 5068 1 15 . 1 1 36 36 MET CA C 36 58.533 58.533 57.457 1.076 18226 5069 1 15 . 1 1 36 36 MET CB C 36 32.288 32.288 32.284 0.004 18226 5070 1 15 . 1 1 36 36 MET H H 36 8.090 8.090 8.049 0.041 18226 5071 1 15 . 1 1 37 37 LEU N N 37 120.316 120.316 119.615 0.701 18226 5072 1 15 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.024 0.091 18226 5073 1 15 . 1 1 37 37 LEU C C 37 178.353 178.353 178.153 0.200 18226 5074 1 15 . 1 1 37 37 LEU CA C 37 58.330 58.330 57.440 0.891 18226 5075 1 15 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.151 0.763 18226 5076 1 15 . 1 1 37 37 LEU H H 37 8.106 8.106 8.220 -0.114 18226 5077 1 15 . 1 1 38 38 VAL N N 38 118.385 118.385 117.926 0.459 18226 5078 1 15 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.785 -0.256 18226 5079 1 15 . 1 1 38 38 VAL C C 38 178.216 178.216 177.308 0.908 18226 5080 1 15 . 1 1 38 38 VAL CA C 38 67.042 67.042 65.674 1.368 18226 5081 1 15 . 1 1 38 38 VAL CB C 38 31.625 31.625 31.994 -0.369 18226 5082 1 15 . 1 1 38 38 VAL H H 38 8.305 8.305 7.572 0.733 18226 5083 1 15 . 1 1 39 39 PHE N N 39 120.216 120.216 119.544 0.672 18226 5084 1 15 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.194 0.067 18226 5085 1 15 . 1 1 39 39 PHE C C 39 178.597 178.597 176.293 2.304 18226 5086 1 15 . 1 1 39 39 PHE CA C 39 61.320 61.320 61.808 -0.488 18226 5087 1 15 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.160 -0.271 18226 5088 1 15 . 1 1 39 39 PHE H H 39 8.196 8.196 7.626 0.570 18226 5089 1 15 . 1 1 40 40 LEU N N 40 120.772 120.772 117.463 3.309 18226 5090 1 15 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.572 -0.522 18226 5091 1 15 . 1 1 40 40 LEU C C 40 179.666 179.666 175.914 3.752 18226 5092 1 15 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.381 3.525 18226 5093 1 15 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.588 0.752 18226 5094 1 15 . 1 1 40 40 LEU H H 40 8.452 8.452 7.562 0.890 18226 5095 1 15 . 1 1 41 41 LEU N N 41 119.185 119.185 120.202 -1.017 18226 5096 1 15 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.590 -0.491 18226 5097 1 15 . 1 1 41 41 LEU C C 41 178.878 178.878 177.446 1.432 18226 5098 1 15 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.147 1.239 18226 5099 1 15 . 1 1 41 41 LEU CB C 41 41.855 41.855 44.570 -2.715 18226 5100 1 15 . 1 1 41 41 LEU H H 41 8.435 8.435 8.319 0.116 18226 5101 1 15 . 1 1 42 42 GLY N N 42 105.718 105.718 106.952 -1.234 18226 5102 1 15 . 1 1 42 42 GLY C C 42 174.908 174.908 174.268 0.640 18226 5103 1 15 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.779 -0.137 18226 5104 1 15 . 1 1 42 42 GLY H H 42 8.208 8.208 7.810 0.398 18226 5105 1 15 . 1 1 43 43 THR N N 43 111.959 111.959 112.789 -0.830 18226 5106 1 15 . 1 1 43 43 THR HA H 43 4.348 4.348 4.394 -0.046 18226 5107 1 15 . 1 1 43 43 THR C C 43 175.665 175.665 175.376 0.289 18226 5108 1 15 . 1 1 43 43 THR CA C 43 63.097 63.097 61.624 1.473 18226 5109 1 15 . 1 1 43 43 THR CB C 43 69.867 69.867 69.844 0.023 18226 5110 1 15 . 1 1 43 43 THR H H 43 7.789 7.789 7.565 0.224 18226 5111 1 15 . 1 1 44 44 THR N N 44 113.271 113.271 114.735 -1.464 18226 5112 1 15 . 1 1 44 44 THR HA H 44 4.308 4.308 3.911 0.397 18226 5113 1 15 . 1 1 44 44 THR C C 44 175.754 175.754 175.402 0.352 18226 5114 1 15 . 1 1 44 44 THR CA C 44 63.194 63.194 63.377 -0.183 18226 5115 1 15 . 1 1 44 44 THR CB C 44 70.171 70.171 67.690 2.481 18226 5116 1 15 . 1 1 44 44 THR H H 44 7.833 7.833 8.333 -0.500 18226 5117 1 15 . 1 1 45 45 GLY N N 45 109.879 109.879 108.540 1.339 18226 5118 1 15 . 1 1 45 45 GLY C C 45 175.221 175.221 173.950 1.271 18226 5119 1 15 . 1 1 45 45 GLY CA C 45 46.539 46.539 44.895 1.644 18226 5120 1 15 . 1 1 45 45 GLY H H 45 8.259 8.259 8.256 0.003 18226 5121 1 15 . 1 1 46 46 ASN N N 46 117.998 117.998 116.885 1.113 18226 5122 1 15 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.872 -0.260 18226 5123 1 15 . 1 1 46 46 ASN C C 46 176.215 176.215 176.119 0.096 18226 5124 1 15 . 1 1 46 46 ASN CA C 46 54.840 54.840 54.027 0.813 18226 5125 1 15 . 1 1 46 46 ASN CB C 46 38.566 38.566 40.308 -1.742 18226 5126 1 15 . 1 1 46 46 ASN H H 46 8.235 8.235 8.587 -0.352 18226 5127 1 15 . 1 1 47 47 GLY N N 47 106.990 106.990 107.844 -0.854 18226 5128 1 15 . 1 1 47 47 GLY C C 47 174.659 174.659 174.789 -0.130 18226 5129 1 15 . 1 1 47 47 GLY CA C 47 46.979 46.979 46.037 0.942 18226 5130 1 15 . 1 1 47 47 GLY H H 47 8.425 8.425 7.845 0.580 18226 5131 1 15 . 1 1 48 48 LEU N N 48 120.699 120.699 119.448 1.251 18226 5132 1 15 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.410 -0.110 18226 5133 1 15 . 1 1 48 48 LEU C C 48 179.482 179.482 178.053 1.429 18226 5134 1 15 . 1 1 48 48 LEU CA C 48 57.445 57.445 56.209 1.236 18226 5135 1 15 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.788 -0.222 18226 5136 1 15 . 1 1 48 48 LEU H H 48 7.956 7.956 7.762 0.194 18226 5137 1 15 . 1 1 49 49 VAL N N 49 120.101 120.101 118.550 1.551 18226 5138 1 15 . 1 1 49 49 VAL HA H 49 3.879 3.879 3.990 -0.111 18226 5139 1 15 . 1 1 49 49 VAL C C 49 177.535 177.535 177.840 -0.305 18226 5140 1 15 . 1 1 49 49 VAL CA C 49 65.862 65.862 65.349 0.513 18226 5141 1 15 . 1 1 49 49 VAL CB C 49 31.779 31.779 31.857 -0.078 18226 5142 1 15 . 1 1 49 49 VAL H H 49 7.919 7.919 7.512 0.407 18226 5143 1 15 . 1 1 50 50 LEU N N 50 119.268 119.268 116.262 3.006 18226 5144 1 15 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.416 -0.373 18226 5145 1 15 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.830 1.015 18226 5146 1 15 . 1 1 50 50 LEU CB C 50 41.877 41.877 40.678 1.198 18226 5147 1 15 . 1 1 50 50 LEU H H 50 7.731 7.731 7.487 0.244 18226 5148 1 15 . 1 1 51 51 TRP N N 51 118.033 118.033 120.418 -2.385 18226 5149 1 15 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.729 -0.137 18226 5150 1 15 . 1 1 51 51 TRP C C 51 177.302 177.302 176.397 0.905 18226 5151 1 15 . 1 1 51 51 TRP CA C 51 59.789 59.789 58.952 0.837 18226 5152 1 15 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.949 0.258 18226 5153 1 15 . 1 1 51 51 TRP H H 51 8.070 8.070 7.275 0.795 18226 5154 1 15 . 1 1 52 52 THR N N 52 113.014 113.014 114.161 -1.147 18226 5155 1 15 . 1 1 52 52 THR HA H 52 3.746 3.746 4.427 -0.681 18226 5156 1 15 . 1 1 52 52 THR C C 52 176.361 176.361 174.136 2.225 18226 5157 1 15 . 1 1 52 52 THR CA C 52 66.443 66.443 62.382 4.061 18226 5158 1 15 . 1 1 52 52 THR CB C 52 69.017 69.017 68.158 0.859 18226 5159 1 15 . 1 1 52 52 THR H H 52 8.101 8.101 7.787 0.314 18226 5160 1 15 . 1 1 53 53 VAL N N 53 120.231 120.231 119.825 0.406 18226 5161 1 15 . 1 1 53 53 VAL HA H 53 3.678 3.678 4.048 -0.370 18226 5162 1 15 . 1 1 53 53 VAL C C 53 177.482 177.482 175.752 1.730 18226 5163 1 15 . 1 1 53 53 VAL CA C 53 66.158 66.158 63.049 3.109 18226 5164 1 15 . 1 1 53 53 VAL CB C 53 31.767 31.767 33.156 -1.389 18226 5165 1 15 . 1 1 53 53 VAL H H 53 7.905 7.905 7.397 0.508 18226 5166 1 15 . 1 1 54 54 PHE N N 54 118.609 118.609 116.049 2.560 18226 5167 1 15 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.775 -0.542 18226 5168 1 15 . 1 1 54 54 PHE CA C 54 60.666 60.666 57.424 3.242 18226 5169 1 15 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.180 1.078 18226 5170 1 15 . 1 1 54 54 PHE H H 54 8.025 8.025 7.599 0.426 18226 5171 1 15 . 1 1 55 55 ARG N N 55 117.305 117.305 120.770 -3.465 18226 5172 1 15 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.178 -0.370 18226 5173 1 15 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.292 0.418 18226 5174 1 15 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.206 -1.544 18226 5175 1 15 . 1 1 55 55 ARG H H 55 8.025 8.025 7.503 0.522 18226 5176 1 15 . 1 1 56 56 LYS N N 56 118.321 118.321 120.176 -1.855 18226 5177 1 15 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.102 0.068 18226 5178 1 15 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.307 -0.867 18226 5179 1 15 . 1 1 56 56 LYS CB C 56 32.929 32.929 32.263 0.666 18226 5180 1 15 . 1 1 56 56 LYS H H 56 7.717 7.717 8.304 -0.587 18226 5181 1 15 . 1 1 57 57 LYS N N 57 118.349 118.349 117.985 0.364 18226 5182 1 15 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.096 0.193 18226 5183 1 15 . 1 1 57 57 LYS C C 57 176.891 176.891 176.636 0.255 18226 5184 1 15 . 1 1 57 57 LYS CA C 57 56.373 56.373 56.626 -0.253 18226 5185 1 15 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.622 0.242 18226 5186 1 15 . 1 1 57 57 LYS H H 57 7.872 7.872 8.092 -0.220 18226 5187 1 15 . 1 1 58 58 GLY N N 58 107.442 107.442 105.937 1.505 18226 5188 1 15 . 1 1 58 58 GLY C C 58 173.263 173.263 174.849 -1.586 18226 5189 1 15 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.308 1.249 18226 5190 1 15 . 1 1 58 58 GLY H H 58 8.060 8.060 7.480 0.580 18226 5191 1 15 . 1 1 59 59 HIS N N 59 116.928 116.928 122.999 -6.071 18226 5192 1 15 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.325 0.343 18226 5193 1 15 . 1 1 59 59 HIS C C 59 173.935 173.935 174.827 -0.892 18226 5194 1 15 . 1 1 59 59 HIS CA C 59 55.085 55.085 57.773 -2.688 18226 5195 1 15 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.468 -0.245 18226 5196 1 15 . 1 1 59 59 HIS H H 59 8.076 8.076 8.797 -0.721 18226 5197 1 15 . 1 1 60 60 HIS N N 60 119.187 119.187 117.804 1.383 18226 5198 1 15 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.141 0.530 18226 5199 1 15 . 1 1 60 60 HIS C C 60 173.926 173.926 175.484 -1.558 18226 5200 1 15 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.551 -1.122 18226 5201 1 15 . 1 1 60 60 HIS CB C 60 29.157 29.157 30.026 -0.869 18226 5202 1 15 . 1 1 60 60 HIS H H 60 8.547 8.547 7.326 1.221 18226 5203 1 15 . 1 1 61 61 HIS N N 61 120.017 120.017 116.288 3.729 18226 5204 1 15 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.150 0.517 18226 5205 1 15 . 1 1 61 61 HIS C C 61 173.994 173.994 174.100 -0.106 18226 5206 1 15 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.312 -0.879 18226 5207 1 15 . 1 1 61 61 HIS CB C 61 29.201 29.201 28.230 0.972 18226 5208 1 15 . 1 1 61 61 HIS H H 61 8.662 8.662 7.906 0.756 18226 5209 1 15 . 1 1 62 62 HIS N N 62 120.463 120.463 118.141 2.322 18226 5210 1 15 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.238 0.419 18226 5211 1 15 . 1 1 62 62 HIS C C 62 173.939 173.939 174.625 -0.686 18226 5212 1 15 . 1 1 62 62 HIS CA C 62 55.376 55.376 56.249 -0.873 18226 5213 1 15 . 1 1 62 62 HIS CB C 62 29.291 29.291 29.401 -0.110 18226 5214 1 15 . 1 1 62 62 HIS H H 62 8.729 8.729 7.893 0.836 18226 5215 1 15 . 1 1 63 63 HIS N N 63 120.370 120.370 115.526 4.844 18226 5216 1 15 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.568 0.090 18226 5217 1 15 . 1 1 63 63 HIS C C 63 173.564 173.564 175.334 -1.770 18226 5218 1 15 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.051 0.557 18226 5219 1 15 . 1 1 63 63 HIS CB C 63 29.365 29.365 30.199 -0.834 18226 5220 1 15 . 1 1 63 63 HIS H H 63 8.619 8.619 7.699 0.920 18226 5221 1 16 . 1 1 2 2 GLU N N 2 123.545 123.545 122.693 0.852 18226 5222 1 16 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.309 0.077 18226 5223 1 16 . 1 1 2 2 GLU C C 2 175.742 175.742 177.308 -1.566 18226 5224 1 16 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.423 -0.060 18226 5225 1 16 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.670 0.085 18226 5226 1 16 . 1 1 2 2 GLU H H 2 8.765 8.765 8.652 0.113 18226 5227 1 16 . 1 1 3 3 GLU N N 3 122.227 122.227 123.803 -1.576 18226 5228 1 16 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.060 0.273 18226 5229 1 16 . 1 1 3 3 GLU C C 3 176.636 176.636 177.348 -0.712 18226 5230 1 16 . 1 1 3 3 GLU CA C 3 56.488 56.488 57.955 -1.467 18226 5231 1 16 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.918 -0.161 18226 5232 1 16 . 1 1 3 3 GLU H H 3 8.550 8.550 8.873 -0.323 18226 5233 1 16 . 1 1 4 4 GLY N N 4 110.108 110.108 105.958 4.150 18226 5234 1 16 . 1 1 4 4 GLY C C 4 174.548 174.548 173.996 0.552 18226 5235 1 16 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.637 0.838 18226 5236 1 16 . 1 1 4 4 GLY H H 4 8.453 8.453 8.160 0.293 18226 5237 1 16 . 1 1 5 5 GLY N N 5 108.466 108.466 108.992 -0.526 18226 5238 1 16 . 1 1 5 5 GLY C C 5 173.790 173.790 173.514 0.276 18226 5239 1 16 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.158 0.206 18226 5240 1 16 . 1 1 5 5 GLY H H 5 8.168 8.168 7.951 0.217 18226 5241 1 16 . 1 1 6 6 ASP N N 6 119.764 119.764 119.281 0.483 18226 5242 1 16 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.491 0.092 18226 5243 1 16 . 1 1 6 6 ASP C C 6 175.811 175.811 175.646 0.165 18226 5244 1 16 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.601 -0.609 18226 5245 1 16 . 1 1 6 6 ASP CB C 6 40.257 40.257 40.381 -0.124 18226 5246 1 16 . 1 1 6 6 ASP H H 6 8.187 8.187 8.221 -0.034 18226 5247 1 16 . 1 1 7 7 PHE N N 7 119.941 119.941 116.301 3.640 18226 5248 1 16 . 1 1 7 7 PHE HA H 7 4.566 4.566 3.809 0.757 18226 5249 1 16 . 1 1 7 7 PHE C C 7 175.636 175.636 173.825 1.811 18226 5250 1 16 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.983 -0.912 18226 5251 1 16 . 1 1 7 7 PHE CB C 7 39.319 39.319 38.430 0.889 18226 5252 1 16 . 1 1 7 7 PHE H H 7 8.103 8.103 7.960 0.143 18226 5253 1 16 . 1 1 8 8 ASP N N 8 120.418 120.418 120.509 -0.091 18226 5254 1 16 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.733 -0.196 18226 5255 1 16 . 1 1 8 8 ASP C C 8 175.548 175.548 174.437 1.111 18226 5256 1 16 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.298 0.075 18226 5257 1 16 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.872 -1.486 18226 5258 1 16 . 1 1 8 8 ASP H H 8 8.177 8.177 7.866 0.311 18226 5259 1 16 . 1 1 9 9 ASN N N 9 118.260 118.260 117.991 0.269 18226 5260 1 16 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.769 -0.182 18226 5261 1 16 . 1 1 9 9 ASN C C 9 174.782 174.782 173.818 0.964 18226 5262 1 16 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.830 -0.433 18226 5263 1 16 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.259 -0.497 18226 5264 1 16 . 1 1 9 9 ASN H H 9 8.057 8.057 7.681 0.376 18226 5265 1 16 . 1 1 10 10 TYR N N 10 120.145 120.145 119.951 0.194 18226 5266 1 16 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.087 0.352 18226 5267 1 16 . 1 1 10 10 TYR C C 10 175.520 175.520 174.242 1.278 18226 5268 1 16 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.484 -1.115 18226 5269 1 16 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.888 0.861 18226 5270 1 16 . 1 1 10 10 TYR H H 10 7.951 7.951 8.659 -0.708 18226 5271 1 16 . 1 1 11 11 TYR N N 11 121.223 121.223 120.987 0.236 18226 5272 1 16 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.406 0.093 18226 5273 1 16 . 1 1 11 11 TYR C C 11 175.974 175.974 176.346 -0.372 18226 5274 1 16 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.328 0.745 18226 5275 1 16 . 1 1 11 11 TYR CB C 11 38.671 38.671 36.797 1.873 18226 5276 1 16 . 1 1 11 11 TYR H H 11 7.971 7.971 7.836 0.135 18226 5277 1 16 . 1 1 12 12 GLY N N 12 109.861 109.861 114.678 -4.817 18226 5278 1 16 . 1 1 12 12 GLY C C 12 173.775 173.775 173.643 0.132 18226 5279 1 16 . 1 1 12 12 GLY CA C 12 45.380 45.380 44.805 0.575 18226 5280 1 16 . 1 1 12 12 GLY H H 12 7.769 7.769 8.213 -0.444 18226 5281 1 16 . 1 1 13 13 ALA N N 13 123.378 123.378 122.016 1.362 18226 5282 1 16 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.217 0.085 18226 5283 1 16 . 1 1 13 13 ALA C C 13 177.509 177.509 175.552 1.957 18226 5284 1 16 . 1 1 13 13 ALA CA C 13 52.627 52.627 51.643 0.984 18226 5285 1 16 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.584 -0.140 18226 5286 1 16 . 1 1 13 13 ALA H H 13 7.975 7.975 7.757 0.218 18226 5287 1 16 . 1 1 14 14 ASP N N 14 118.494 118.494 120.254 -1.760 18226 5288 1 16 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.619 0.015 18226 5289 1 16 . 1 1 14 14 ASP C C 14 175.747 175.747 175.929 -0.182 18226 5290 1 16 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.947 -0.945 18226 5291 1 16 . 1 1 14 14 ASP CB C 14 40.162 40.162 41.622 -1.460 18226 5292 1 16 . 1 1 14 14 ASP H H 14 8.307 8.307 8.362 -0.055 18226 5293 1 16 . 1 1 15 15 ASN N N 15 118.834 118.834 117.740 1.094 18226 5294 1 16 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.713 -0.051 18226 5295 1 16 . 1 1 15 15 ASN C C 15 175.258 175.258 174.704 0.554 18226 5296 1 16 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.249 0.266 18226 5297 1 16 . 1 1 15 15 ASN CB C 15 38.757 38.757 39.139 -0.382 18226 5298 1 16 . 1 1 15 15 ASN H H 15 8.221 8.221 7.952 0.269 18226 5299 1 16 . 1 1 16 16 GLN N N 16 120.413 120.413 123.075 -2.662 18226 5300 1 16 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.513 -0.158 18226 5301 1 16 . 1 1 16 16 GLN C C 16 176.096 176.096 176.195 -0.099 18226 5302 1 16 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.363 -1.123 18226 5303 1 16 . 1 1 16 16 GLN CB C 16 29.370 29.370 29.367 0.003 18226 5304 1 16 . 1 1 16 16 GLN H H 16 8.295 8.295 8.720 -0.425 18226 5305 1 16 . 1 1 17 17 SER N N 17 116.692 116.692 112.171 4.521 18226 5306 1 16 . 1 1 17 17 SER HA H 17 4.428 4.428 4.637 -0.209 18226 5307 1 16 . 1 1 17 17 SER C C 17 174.523 174.523 172.997 1.526 18226 5308 1 16 . 1 1 17 17 SER CA C 17 58.683 58.683 58.667 0.016 18226 5309 1 16 . 1 1 17 17 SER CB C 17 63.794 63.794 63.296 0.498 18226 5310 1 16 . 1 1 17 17 SER H H 17 8.267 8.267 7.922 0.345 18226 5311 1 16 . 1 1 18 18 GLU N N 18 122.142 122.142 121.069 1.073 18226 5312 1 16 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.830 -0.467 18226 5313 1 16 . 1 1 18 18 GLU C C 18 175.937 175.937 175.448 0.489 18226 5314 1 16 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.265 0.040 18226 5315 1 16 . 1 1 18 18 GLU CB C 18 29.506 29.506 33.665 -4.159 18226 5316 1 16 . 1 1 18 18 GLU H H 18 8.330 8.330 9.527 -1.197 18226 5317 1 16 . 1 1 19 19 CYS N N 19 120.077 120.077 117.247 2.830 18226 5318 1 16 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.115 0.317 18226 5319 1 16 . 1 1 19 19 CYS C C 19 174.442 174.442 174.958 -0.516 18226 5320 1 16 . 1 1 19 19 CYS CA C 19 58.613 58.613 60.905 -2.292 18226 5321 1 16 . 1 1 19 19 CYS CB C 19 27.999 27.999 27.475 0.524 18226 5322 1 16 . 1 1 19 19 CYS H H 19 8.276 8.276 8.936 -0.660 18226 5323 1 16 . 1 1 20 20 GLU N N 20 123.369 123.369 117.494 5.875 18226 5324 1 16 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.392 -0.089 18226 5325 1 16 . 1 1 20 20 GLU C C 20 175.858 175.858 175.697 0.161 18226 5326 1 16 . 1 1 20 20 GLU CA C 20 56.457 56.457 57.062 -0.605 18226 5327 1 16 . 1 1 20 20 GLU CB C 20 29.150 29.150 30.098 -0.948 18226 5328 1 16 . 1 1 20 20 GLU H H 20 8.400 8.400 8.368 0.032 18226 5329 1 16 . 1 1 21 21 TYR N N 21 119.980 119.980 118.377 1.603 18226 5330 1 16 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.879 -0.335 18226 5331 1 16 . 1 1 21 21 TYR C C 21 175.669 175.669 174.148 1.521 18226 5332 1 16 . 1 1 21 21 TYR CA C 21 58.103 58.103 58.164 -0.061 18226 5333 1 16 . 1 1 21 21 TYR CB C 21 38.677 38.677 39.629 -0.952 18226 5334 1 16 . 1 1 21 21 TYR H H 21 7.991 7.991 8.152 -0.161 18226 5335 1 16 . 1 1 22 22 THR N N 22 113.984 113.984 110.110 3.874 18226 5336 1 16 . 1 1 22 22 THR HA H 22 4.164 4.164 4.644 -0.480 18226 5337 1 16 . 1 1 22 22 THR C C 22 174.259 174.259 174.506 -0.247 18226 5338 1 16 . 1 1 22 22 THR CA C 22 62.381 62.381 61.684 0.697 18226 5339 1 16 . 1 1 22 22 THR CB C 22 69.551 69.551 69.310 0.241 18226 5340 1 16 . 1 1 22 22 THR H H 22 7.821 7.821 7.961 -0.140 18226 5341 1 16 . 1 1 23 23 ASP N N 23 121.930 121.930 120.834 1.096 18226 5342 1 16 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.619 0.052 18226 5343 1 16 . 1 1 23 23 ASP C C 23 176.164 176.164 176.182 -0.018 18226 5344 1 16 . 1 1 23 23 ASP CA C 23 53.681 53.681 53.697 -0.016 18226 5345 1 16 . 1 1 23 23 ASP CB C 23 39.606 39.606 40.916 -1.310 18226 5346 1 16 . 1 1 23 23 ASP H H 23 8.106 8.106 8.342 -0.236 18226 5347 1 16 . 1 1 24 24 TRP N N 24 121.947 121.947 120.312 1.635 18226 5348 1 16 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.574 -0.092 18226 5349 1 16 . 1 1 24 24 TRP C C 24 176.496 176.496 175.658 0.838 18226 5350 1 16 . 1 1 24 24 TRP CA C 24 58.238 58.238 58.827 -0.589 18226 5351 1 16 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.122 0.067 18226 5352 1 16 . 1 1 24 24 TRP H H 24 7.991 7.991 8.274 -0.283 18226 5353 1 16 . 1 1 25 25 LYS N N 25 119.673 119.673 116.064 3.609 18226 5354 1 16 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.047 -0.058 18226 5355 1 16 . 1 1 25 25 LYS C C 25 176.770 176.770 176.299 0.471 18226 5356 1 16 . 1 1 25 25 LYS CA C 25 57.467 57.467 54.672 2.795 18226 5357 1 16 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.870 0.083 18226 5358 1 16 . 1 1 25 25 LYS H H 25 7.588 7.588 7.295 0.293 18226 5359 1 16 . 1 1 26 26 SER N N 26 114.157 114.157 116.187 -2.030 18226 5360 1 16 . 1 1 26 26 SER HA H 26 4.462 4.462 4.050 0.412 18226 5361 1 16 . 1 1 26 26 SER C C 26 175.126 175.126 173.870 1.256 18226 5362 1 16 . 1 1 26 26 SER CA C 26 58.673 58.673 59.591 -0.918 18226 5363 1 16 . 1 1 26 26 SER CB C 26 63.801 63.801 61.878 1.923 18226 5364 1 16 . 1 1 26 26 SER H H 26 7.823 7.823 8.030 -0.207 18226 5365 1 16 . 1 1 27 27 SER N N 27 117.353 117.353 115.976 1.377 18226 5366 1 16 . 1 1 27 27 SER HA H 27 4.288 4.288 4.494 -0.206 18226 5367 1 16 . 1 1 27 27 SER C C 27 175.598 175.598 173.511 2.087 18226 5368 1 16 . 1 1 27 27 SER CA C 27 60.216 60.216 58.406 1.810 18226 5369 1 16 . 1 1 27 27 SER CB C 27 63.684 63.684 64.058 -0.374 18226 5370 1 16 . 1 1 27 27 SER H H 27 8.178 8.178 8.493 -0.315 18226 5371 1 16 . 1 1 28 28 GLY N N 28 110.249 110.249 108.288 1.961 18226 5372 1 16 . 1 1 28 28 GLY C C 28 174.667 174.667 172.764 1.903 18226 5373 1 16 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.655 0.621 18226 5374 1 16 . 1 1 28 28 GLY H H 28 8.359 8.359 8.197 0.162 18226 5375 1 16 . 1 1 29 29 ALA N N 29 121.959 121.959 121.210 0.749 18226 5376 1 16 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.576 -0.248 18226 5377 1 16 . 1 1 29 29 ALA C C 29 177.873 177.873 176.234 1.639 18226 5378 1 16 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.428 0.833 18226 5379 1 16 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.341 0.296 18226 5380 1 16 . 1 1 29 29 ALA H H 29 7.931 7.931 7.921 0.010 18226 5381 1 16 . 1 1 30 30 LEU N N 30 117.460 117.460 113.775 3.685 18226 5382 1 16 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.712 -0.504 18226 5383 1 16 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.312 2.080 18226 5384 1 16 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.334 0.271 18226 5385 1 16 . 1 1 30 30 LEU H H 30 7.924 7.924 7.738 0.186 18226 5386 1 16 . 1 1 31 31 ILE N N 31 117.379 117.379 120.985 -3.606 18226 5387 1 16 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.378 -0.455 18226 5388 1 16 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.795 2.216 18226 5389 1 16 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.578 -1.355 18226 5390 1 16 . 1 1 31 31 ILE H H 31 8.100 8.100 8.025 0.075 18226 5391 1 16 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.629 -0.311 18226 5392 1 16 . 1 1 32 32 PRO C C 32 178.706 178.706 177.942 0.764 18226 5393 1 16 . 1 1 32 32 PRO CA C 32 66.031 66.031 64.651 1.380 18226 5394 1 16 . 1 1 32 32 PRO CB C 32 31.267 31.267 31.108 0.159 18226 5395 1 16 . 1 1 33 33 ALA N N 33 119.040 119.040 121.375 -2.335 18226 5396 1 16 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.230 -0.035 18226 5397 1 16 . 1 1 33 33 ALA C C 33 179.052 179.052 177.627 1.425 18226 5398 1 16 . 1 1 33 33 ALA CA C 33 55.393 55.393 54.107 1.286 18226 5399 1 16 . 1 1 33 33 ALA CB C 33 18.531 18.531 18.038 0.493 18226 5400 1 16 . 1 1 33 33 ALA H H 33 7.462 7.462 8.656 -1.194 18226 5401 1 16 . 1 1 34 34 ILE N N 34 118.037 118.037 111.796 6.241 18226 5402 1 16 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.155 -0.433 18226 5403 1 16 . 1 1 34 34 ILE C C 34 177.827 177.827 177.195 0.632 18226 5404 1 16 . 1 1 34 34 ILE CA C 34 65.023 65.023 61.990 3.033 18226 5405 1 16 . 1 1 34 34 ILE CB C 34 37.341 37.341 38.768 -1.427 18226 5406 1 16 . 1 1 34 34 ILE H H 34 8.176 8.176 7.230 0.946 18226 5407 1 16 . 1 1 35 35 TYR N N 35 118.783 118.783 120.745 -1.962 18226 5408 1 16 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.131 0.014 18226 5409 1 16 . 1 1 35 35 TYR C C 35 178.062 178.062 177.769 0.293 18226 5410 1 16 . 1 1 35 35 TYR CA C 35 61.548 61.548 62.906 -1.358 18226 5411 1 16 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.295 -0.553 18226 5412 1 16 . 1 1 35 35 TYR H H 35 8.306 8.306 7.689 0.617 18226 5413 1 16 . 1 1 36 36 MET N N 36 118.068 118.068 118.381 -0.313 18226 5414 1 16 . 1 1 36 36 MET HA H 36 4.317 4.317 4.153 0.164 18226 5415 1 16 . 1 1 36 36 MET C C 36 178.183 178.183 178.432 -0.249 18226 5416 1 16 . 1 1 36 36 MET CA C 36 58.533 58.533 58.535 -0.002 18226 5417 1 16 . 1 1 36 36 MET CB C 36 32.288 32.288 31.631 0.657 18226 5418 1 16 . 1 1 36 36 MET H H 36 8.090 8.090 7.795 0.295 18226 5419 1 16 . 1 1 37 37 LEU N N 37 120.316 120.316 116.701 3.615 18226 5420 1 16 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.094 0.021 18226 5421 1 16 . 1 1 37 37 LEU C C 37 178.353 178.353 178.283 0.070 18226 5422 1 16 . 1 1 37 37 LEU CA C 37 58.330 58.330 57.667 0.663 18226 5423 1 16 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.082 0.832 18226 5424 1 16 . 1 1 37 37 LEU H H 37 8.106 8.106 8.642 -0.536 18226 5425 1 16 . 1 1 38 38 VAL N N 38 118.385 118.385 117.514 0.871 18226 5426 1 16 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.882 -0.353 18226 5427 1 16 . 1 1 38 38 VAL C C 38 178.216 178.216 177.602 0.614 18226 5428 1 16 . 1 1 38 38 VAL CA C 38 67.042 67.042 65.458 1.584 18226 5429 1 16 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.091 -0.466 18226 5430 1 16 . 1 1 38 38 VAL H H 38 8.305 8.305 7.091 1.214 18226 5431 1 16 . 1 1 39 39 PHE N N 39 120.216 120.216 120.901 -0.685 18226 5432 1 16 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.142 0.119 18226 5433 1 16 . 1 1 39 39 PHE C C 39 178.597 178.597 176.221 2.376 18226 5434 1 16 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.599 -1.279 18226 5435 1 16 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.268 -0.379 18226 5436 1 16 . 1 1 39 39 PHE H H 39 8.196 8.196 8.761 -0.565 18226 5437 1 16 . 1 1 40 40 LEU N N 40 120.772 120.772 116.743 4.029 18226 5438 1 16 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.469 -0.419 18226 5439 1 16 . 1 1 40 40 LEU C C 40 179.666 179.666 175.782 3.884 18226 5440 1 16 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.393 3.513 18226 5441 1 16 . 1 1 40 40 LEU CB C 40 42.340 42.340 42.073 0.267 18226 5442 1 16 . 1 1 40 40 LEU H H 40 8.452 8.452 7.579 0.873 18226 5443 1 16 . 1 1 41 41 LEU N N 41 119.185 119.185 119.847 -0.662 18226 5444 1 16 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.514 -0.415 18226 5445 1 16 . 1 1 41 41 LEU C C 41 178.878 178.878 176.674 2.204 18226 5446 1 16 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.432 0.954 18226 5447 1 16 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.167 -1.312 18226 5448 1 16 . 1 1 41 41 LEU H H 41 8.435 8.435 8.198 0.237 18226 5449 1 16 . 1 1 42 42 GLY N N 42 105.718 105.718 106.618 -0.900 18226 5450 1 16 . 1 1 42 42 GLY C C 42 174.908 174.908 174.693 0.215 18226 5451 1 16 . 1 1 42 42 GLY CA C 42 46.642 46.642 47.024 -0.382 18226 5452 1 16 . 1 1 42 42 GLY H H 42 8.208 8.208 8.063 0.145 18226 5453 1 16 . 1 1 43 43 THR N N 43 111.959 111.959 112.541 -0.582 18226 5454 1 16 . 1 1 43 43 THR HA H 43 4.348 4.348 4.318 0.030 18226 5455 1 16 . 1 1 43 43 THR C C 43 175.665 175.665 174.812 0.853 18226 5456 1 16 . 1 1 43 43 THR CA C 43 63.097 63.097 62.205 0.892 18226 5457 1 16 . 1 1 43 43 THR CB C 43 69.867 69.867 69.180 0.687 18226 5458 1 16 . 1 1 43 43 THR H H 43 7.789 7.789 7.329 0.460 18226 5459 1 16 . 1 1 44 44 THR N N 44 113.271 113.271 116.956 -3.685 18226 5460 1 16 . 1 1 44 44 THR HA H 44 4.308 4.308 3.909 0.399 18226 5461 1 16 . 1 1 44 44 THR C C 44 175.754 175.754 176.771 -1.017 18226 5462 1 16 . 1 1 44 44 THR CA C 44 63.194 63.194 65.488 -2.294 18226 5463 1 16 . 1 1 44 44 THR CB C 44 70.171 70.171 67.618 2.553 18226 5464 1 16 . 1 1 44 44 THR H H 44 7.833 7.833 7.567 0.266 18226 5465 1 16 . 1 1 45 45 GLY N N 45 109.879 109.879 110.759 -0.880 18226 5466 1 16 . 1 1 45 45 GLY C C 45 175.221 175.221 176.446 -1.225 18226 5467 1 16 . 1 1 45 45 GLY CA C 45 46.539 46.539 47.172 -0.632 18226 5468 1 16 . 1 1 45 45 GLY H H 45 8.259 8.259 8.264 -0.005 18226 5469 1 16 . 1 1 46 46 ASN N N 46 117.998 117.998 119.941 -1.943 18226 5470 1 16 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.569 0.043 18226 5471 1 16 . 1 1 46 46 ASN C C 46 176.215 176.215 176.536 -0.321 18226 5472 1 16 . 1 1 46 46 ASN CA C 46 54.840 54.840 54.703 0.137 18226 5473 1 16 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.182 0.384 18226 5474 1 16 . 1 1 46 46 ASN H H 46 8.235 8.235 8.159 0.076 18226 5475 1 16 . 1 1 47 47 GLY N N 47 106.990 106.990 105.290 1.700 18226 5476 1 16 . 1 1 47 47 GLY C C 47 174.659 174.659 174.259 0.400 18226 5477 1 16 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.280 1.699 18226 5478 1 16 . 1 1 47 47 GLY H H 47 8.425 8.425 8.082 0.343 18226 5479 1 16 . 1 1 48 48 LEU N N 48 120.699 120.699 115.465 5.234 18226 5480 1 16 . 1 1 48 48 LEU HA H 48 4.300 4.300 5.035 -0.735 18226 5481 1 16 . 1 1 48 48 LEU C C 48 179.482 179.482 176.011 3.471 18226 5482 1 16 . 1 1 48 48 LEU CA C 48 57.445 57.445 54.852 2.593 18226 5483 1 16 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.206 -0.639 18226 5484 1 16 . 1 1 48 48 LEU H H 48 7.956 7.956 7.488 0.468 18226 5485 1 16 . 1 1 49 49 VAL N N 49 120.101 120.101 118.427 1.674 18226 5486 1 16 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.147 -0.268 18226 5487 1 16 . 1 1 49 49 VAL C C 49 177.535 177.535 176.590 0.945 18226 5488 1 16 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.851 2.011 18226 5489 1 16 . 1 1 49 49 VAL CB C 49 31.779 31.779 33.768 -1.989 18226 5490 1 16 . 1 1 49 49 VAL H H 49 7.919 7.919 7.725 0.194 18226 5491 1 16 . 1 1 50 50 LEU N N 50 119.268 119.268 115.655 3.613 18226 5492 1 16 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.633 -0.590 18226 5493 1 16 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.621 1.224 18226 5494 1 16 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.678 -0.801 18226 5495 1 16 . 1 1 50 50 LEU H H 50 7.731 7.731 8.021 -0.290 18226 5496 1 16 . 1 1 51 51 TRP N N 51 118.033 118.033 122.739 -4.706 18226 5497 1 16 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.541 0.051 18226 5498 1 16 . 1 1 51 51 TRP C C 51 177.302 177.302 177.168 0.134 18226 5499 1 16 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.368 0.421 18226 5500 1 16 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.192 1.015 18226 5501 1 16 . 1 1 51 51 TRP H H 51 8.070 8.070 7.851 0.219 18226 5502 1 16 . 1 1 52 52 THR N N 52 113.014 113.014 115.285 -2.271 18226 5503 1 16 . 1 1 52 52 THR HA H 52 3.746 3.746 3.693 0.053 18226 5504 1 16 . 1 1 52 52 THR C C 52 176.361 176.361 175.797 0.564 18226 5505 1 16 . 1 1 52 52 THR CA C 52 66.443 66.443 66.080 0.363 18226 5506 1 16 . 1 1 52 52 THR CB C 52 69.017 69.017 68.478 0.539 18226 5507 1 16 . 1 1 52 52 THR H H 52 8.101 8.101 8.223 -0.122 18226 5508 1 16 . 1 1 53 53 VAL N N 53 120.231 120.231 119.410 0.821 18226 5509 1 16 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.597 0.081 18226 5510 1 16 . 1 1 53 53 VAL C C 53 177.482 177.482 177.819 -0.337 18226 5511 1 16 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.001 0.157 18226 5512 1 16 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.121 0.646 18226 5513 1 16 . 1 1 53 53 VAL H H 53 7.905 7.905 7.478 0.427 18226 5514 1 16 . 1 1 54 54 PHE N N 54 118.609 118.609 119.039 -0.430 18226 5515 1 16 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.279 -0.046 18226 5516 1 16 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.856 1.810 18226 5517 1 16 . 1 1 54 54 PHE CB C 54 39.258 39.258 37.063 2.195 18226 5518 1 16 . 1 1 54 54 PHE H H 54 8.025 8.025 7.626 0.399 18226 5519 1 16 . 1 1 55 55 ARG N N 55 117.305 117.305 119.766 -2.461 18226 5520 1 16 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.025 -0.217 18226 5521 1 16 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.179 0.531 18226 5522 1 16 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.400 -1.737 18226 5523 1 16 . 1 1 55 55 ARG H H 55 8.025 8.025 8.011 0.014 18226 5524 1 16 . 1 1 56 56 LYS N N 56 118.321 118.321 120.338 -2.017 18226 5525 1 16 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.129 0.041 18226 5526 1 16 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.752 -1.312 18226 5527 1 16 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.654 1.275 18226 5528 1 16 . 1 1 56 56 LYS H H 56 7.717 7.717 8.015 -0.298 18226 5529 1 16 . 1 1 57 57 LYS N N 57 118.349 118.349 119.079 -0.730 18226 5530 1 16 . 1 1 57 57 LYS HA H 57 4.289 4.289 3.992 0.297 18226 5531 1 16 . 1 1 57 57 LYS C C 57 176.891 176.891 177.331 -0.440 18226 5532 1 16 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.967 -1.594 18226 5533 1 16 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.140 0.724 18226 5534 1 16 . 1 1 57 57 LYS H H 57 7.872 7.872 7.752 0.120 18226 5535 1 16 . 1 1 58 58 GLY N N 58 107.442 107.442 105.050 2.392 18226 5536 1 16 . 1 1 58 58 GLY C C 58 173.263 173.263 173.800 -0.537 18226 5537 1 16 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.994 0.563 18226 5538 1 16 . 1 1 58 58 GLY H H 58 8.060 8.060 7.683 0.377 18226 5539 1 16 . 1 1 59 59 HIS N N 59 116.928 116.928 118.170 -1.242 18226 5540 1 16 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.009 0.659 18226 5541 1 16 . 1 1 59 59 HIS C C 59 173.935 173.935 174.681 -0.746 18226 5542 1 16 . 1 1 59 59 HIS CA C 59 55.085 55.085 60.088 -5.003 18226 5543 1 16 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.056 0.167 18226 5544 1 16 . 1 1 59 59 HIS H H 59 8.076 8.076 7.701 0.375 18226 5545 1 16 . 1 1 60 60 HIS N N 60 119.187 119.187 116.199 2.988 18226 5546 1 16 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.742 -0.071 18226 5547 1 16 . 1 1 60 60 HIS C C 60 173.926 173.926 175.487 -1.561 18226 5548 1 16 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.571 -1.141 18226 5549 1 16 . 1 1 60 60 HIS CB C 60 29.157 29.157 33.912 -4.755 18226 5550 1 16 . 1 1 60 60 HIS H H 60 8.547 8.547 8.699 -0.152 18226 5551 1 16 . 1 1 61 61 HIS N N 61 120.017 120.017 116.243 3.774 18226 5552 1 16 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.573 0.094 18226 5553 1 16 . 1 1 61 61 HIS C C 61 173.994 173.994 174.397 -0.403 18226 5554 1 16 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.991 -0.558 18226 5555 1 16 . 1 1 61 61 HIS CB C 61 29.201 29.201 31.611 -2.410 18226 5556 1 16 . 1 1 61 61 HIS H H 61 8.662 8.662 8.486 0.176 18226 5557 1 16 . 1 1 62 62 HIS N N 62 120.463 120.463 122.303 -1.840 18226 5558 1 16 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.709 -0.052 18226 5559 1 16 . 1 1 62 62 HIS C C 62 173.939 173.939 175.204 -1.265 18226 5560 1 16 . 1 1 62 62 HIS CA C 62 55.376 55.376 57.053 -1.677 18226 5561 1 16 . 1 1 62 62 HIS CB C 62 29.291 29.291 29.853 -0.562 18226 5562 1 16 . 1 1 62 62 HIS H H 62 8.729 8.729 9.124 -0.395 18226 5563 1 16 . 1 1 63 63 HIS N N 63 120.370 120.370 118.849 1.521 18226 5564 1 16 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.260 0.398 18226 5565 1 16 . 1 1 63 63 HIS C C 63 173.564 173.564 174.842 -1.278 18226 5566 1 16 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.957 -0.349 18226 5567 1 16 . 1 1 63 63 HIS CB C 63 29.365 29.365 28.677 0.688 18226 5568 1 16 . 1 1 63 63 HIS H H 63 8.619 8.619 8.794 -0.175 18226 5569 1 17 . 1 1 2 2 GLU N N 2 123.545 123.545 119.784 3.761 18226 5570 1 17 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.538 -0.152 18226 5571 1 17 . 1 1 2 2 GLU C C 2 175.742 175.742 175.585 0.157 18226 5572 1 17 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.606 -0.243 18226 5573 1 17 . 1 1 2 2 GLU CB C 2 29.755 29.755 32.266 -2.511 18226 5574 1 17 . 1 1 2 2 GLU H H 2 8.765 8.765 8.732 0.033 18226 5575 1 17 . 1 1 3 3 GLU N N 3 122.227 122.227 120.065 2.162 18226 5576 1 17 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.518 -0.185 18226 5577 1 17 . 1 1 3 3 GLU C C 3 176.636 176.636 175.333 1.303 18226 5578 1 17 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.125 0.363 18226 5579 1 17 . 1 1 3 3 GLU CB C 3 29.757 29.757 31.132 -1.375 18226 5580 1 17 . 1 1 3 3 GLU H H 3 8.550 8.550 8.118 0.432 18226 5581 1 17 . 1 1 4 4 GLY N N 4 110.108 110.108 109.621 0.487 18226 5582 1 17 . 1 1 4 4 GLY C C 4 174.548 174.548 173.964 0.584 18226 5583 1 17 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.525 -0.050 18226 5584 1 17 . 1 1 4 4 GLY H H 4 8.453 8.453 8.353 0.100 18226 5585 1 17 . 1 1 5 5 GLY N N 5 108.466 108.466 109.017 -0.551 18226 5586 1 17 . 1 1 5 5 GLY C C 5 173.790 173.790 173.732 0.058 18226 5587 1 17 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.130 0.234 18226 5588 1 17 . 1 1 5 5 GLY H H 5 8.168 8.168 8.540 -0.372 18226 5589 1 17 . 1 1 6 6 ASP N N 6 119.764 119.764 120.425 -0.661 18226 5590 1 17 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.523 0.060 18226 5591 1 17 . 1 1 6 6 ASP C C 6 175.811 175.811 174.533 1.278 18226 5592 1 17 . 1 1 6 6 ASP CA C 6 53.992 53.992 53.950 0.042 18226 5593 1 17 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.147 -0.890 18226 5594 1 17 . 1 1 6 6 ASP H H 6 8.187 8.187 8.253 -0.066 18226 5595 1 17 . 1 1 7 7 PHE N N 7 119.941 119.941 119.525 0.416 18226 5596 1 17 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.818 -0.252 18226 5597 1 17 . 1 1 7 7 PHE C C 7 175.636 175.636 173.555 2.081 18226 5598 1 17 . 1 1 7 7 PHE CA C 7 58.071 58.071 57.441 0.630 18226 5599 1 17 . 1 1 7 7 PHE CB C 7 39.319 39.319 40.065 -0.746 18226 5600 1 17 . 1 1 7 7 PHE H H 7 8.103 8.103 7.610 0.493 18226 5601 1 17 . 1 1 8 8 ASP N N 8 120.418 120.418 121.487 -1.069 18226 5602 1 17 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.584 -0.047 18226 5603 1 17 . 1 1 8 8 ASP C C 8 175.548 175.548 174.554 0.994 18226 5604 1 17 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.325 0.048 18226 5605 1 17 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.684 -0.298 18226 5606 1 17 . 1 1 8 8 ASP H H 8 8.177 8.177 8.233 -0.056 18226 5607 1 17 . 1 1 9 9 ASN N N 9 118.260 118.260 117.387 0.873 18226 5608 1 17 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.641 -0.054 18226 5609 1 17 . 1 1 9 9 ASN C C 9 174.782 174.782 175.530 -0.748 18226 5610 1 17 . 1 1 9 9 ASN CA C 9 53.397 53.397 52.916 0.481 18226 5611 1 17 . 1 1 9 9 ASN CB C 9 38.762 38.762 38.508 0.254 18226 5612 1 17 . 1 1 9 9 ASN H H 9 8.057 8.057 8.220 -0.164 18226 5613 1 17 . 1 1 10 10 TYR N N 10 120.145 120.145 118.025 2.120 18226 5614 1 17 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.502 -0.063 18226 5615 1 17 . 1 1 10 10 TYR C C 10 175.520 175.520 176.292 -0.772 18226 5616 1 17 . 1 1 10 10 TYR CA C 10 58.369 58.369 57.669 0.700 18226 5617 1 17 . 1 1 10 10 TYR CB C 10 38.749 38.749 38.211 0.538 18226 5618 1 17 . 1 1 10 10 TYR H H 10 7.951 7.951 7.780 0.171 18226 5619 1 17 . 1 1 11 11 TYR N N 11 121.223 121.223 120.545 0.678 18226 5620 1 17 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.397 0.102 18226 5621 1 17 . 1 1 11 11 TYR C C 11 175.974 175.974 175.717 0.257 18226 5622 1 17 . 1 1 11 11 TYR CA C 11 58.073 58.073 59.318 -1.245 18226 5623 1 17 . 1 1 11 11 TYR CB C 11 38.671 38.671 36.282 2.389 18226 5624 1 17 . 1 1 11 11 TYR H H 11 7.971 7.971 8.408 -0.437 18226 5625 1 17 . 1 1 12 12 GLY N N 12 109.861 109.861 110.174 -0.313 18226 5626 1 17 . 1 1 12 12 GLY C C 12 173.775 173.775 172.977 0.798 18226 5627 1 17 . 1 1 12 12 GLY CA C 12 45.380 45.380 46.356 -0.976 18226 5628 1 17 . 1 1 12 12 GLY H H 12 7.769 7.769 8.482 -0.713 18226 5629 1 17 . 1 1 13 13 ALA N N 13 123.378 123.378 124.173 -0.795 18226 5630 1 17 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.474 -0.172 18226 5631 1 17 . 1 1 13 13 ALA C C 13 177.509 177.509 176.416 1.093 18226 5632 1 17 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.522 0.105 18226 5633 1 17 . 1 1 13 13 ALA CB C 13 19.444 19.444 18.497 0.947 18226 5634 1 17 . 1 1 13 13 ALA H H 13 7.975 7.975 7.903 0.072 18226 5635 1 17 . 1 1 14 14 ASP N N 14 118.494 118.494 120.199 -1.705 18226 5636 1 17 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.547 0.087 18226 5637 1 17 . 1 1 14 14 ASP C C 14 175.747 175.747 176.492 -0.745 18226 5638 1 17 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.776 -0.774 18226 5639 1 17 . 1 1 14 14 ASP CB C 14 40.162 40.162 41.552 -1.390 18226 5640 1 17 . 1 1 14 14 ASP H H 14 8.307 8.307 8.967 -0.660 18226 5641 1 17 . 1 1 15 15 ASN N N 15 118.834 118.834 117.351 1.483 18226 5642 1 17 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.801 -0.139 18226 5643 1 17 . 1 1 15 15 ASN C C 15 175.258 175.258 174.172 1.086 18226 5644 1 17 . 1 1 15 15 ASN CA C 15 53.515 53.515 54.162 -0.647 18226 5645 1 17 . 1 1 15 15 ASN CB C 15 38.757 38.757 39.201 -0.444 18226 5646 1 17 . 1 1 15 15 ASN H H 15 8.221 8.221 8.026 0.195 18226 5647 1 17 . 1 1 16 16 GLN N N 16 120.413 120.413 123.026 -2.613 18226 5648 1 17 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.339 0.016 18226 5649 1 17 . 1 1 16 16 GLN C C 16 176.096 176.096 175.372 0.724 18226 5650 1 17 . 1 1 16 16 GLN CA C 16 56.240 56.240 55.925 0.316 18226 5651 1 17 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.854 0.516 18226 5652 1 17 . 1 1 16 16 GLN H H 16 8.295 8.295 8.570 -0.275 18226 5653 1 17 . 1 1 17 17 SER N N 17 116.692 116.692 111.730 4.962 18226 5654 1 17 . 1 1 17 17 SER HA H 17 4.428 4.428 4.117 0.311 18226 5655 1 17 . 1 1 17 17 SER C C 17 174.523 174.523 173.676 0.847 18226 5656 1 17 . 1 1 17 17 SER CA C 17 58.683 58.683 58.548 0.135 18226 5657 1 17 . 1 1 17 17 SER CB C 17 63.794 63.794 62.778 1.016 18226 5658 1 17 . 1 1 17 17 SER H H 17 8.267 8.267 7.964 0.303 18226 5659 1 17 . 1 1 18 18 GLU N N 18 122.142 122.142 120.594 1.548 18226 5660 1 17 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.382 -0.019 18226 5661 1 17 . 1 1 18 18 GLU C C 18 175.937 175.937 177.305 -1.368 18226 5662 1 17 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.554 -1.249 18226 5663 1 17 . 1 1 18 18 GLU CB C 18 29.506 29.506 30.601 -1.095 18226 5664 1 17 . 1 1 18 18 GLU H H 18 8.330 8.330 8.408 -0.078 18226 5665 1 17 . 1 1 19 19 CYS N N 19 120.077 120.077 117.442 2.635 18226 5666 1 17 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.552 -0.120 18226 5667 1 17 . 1 1 19 19 CYS C C 19 174.442 174.442 174.943 -0.501 18226 5668 1 17 . 1 1 19 19 CYS CA C 19 58.613 58.613 60.043 -1.430 18226 5669 1 17 . 1 1 19 19 CYS CB C 19 27.999 27.999 25.989 2.010 18226 5670 1 17 . 1 1 19 19 CYS H H 19 8.276 8.276 9.151 -0.875 18226 5671 1 17 . 1 1 20 20 GLU N N 20 123.369 123.369 122.024 1.345 18226 5672 1 17 . 1 1 20 20 GLU HA H 20 4.303 4.303 3.806 0.497 18226 5673 1 17 . 1 1 20 20 GLU C C 20 175.858 175.858 174.219 1.639 18226 5674 1 17 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.390 0.067 18226 5675 1 17 . 1 1 20 20 GLU CB C 20 29.150 29.150 28.002 1.149 18226 5676 1 17 . 1 1 20 20 GLU H H 20 8.400 8.400 7.569 0.831 18226 5677 1 17 . 1 1 21 21 TYR N N 21 119.980 119.980 119.882 0.098 18226 5678 1 17 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.723 -0.179 18226 5679 1 17 . 1 1 21 21 TYR C C 21 175.669 175.669 176.037 -0.368 18226 5680 1 17 . 1 1 21 21 TYR CA C 21 58.103 58.103 59.076 -0.973 18226 5681 1 17 . 1 1 21 21 TYR CB C 21 38.677 38.677 40.931 -2.254 18226 5682 1 17 . 1 1 21 21 TYR H H 21 7.991 7.991 8.110 -0.119 18226 5683 1 17 . 1 1 22 22 THR N N 22 113.984 113.984 113.154 0.830 18226 5684 1 17 . 1 1 22 22 THR HA H 22 4.164 4.164 4.699 -0.535 18226 5685 1 17 . 1 1 22 22 THR C C 22 174.259 174.259 173.444 0.815 18226 5686 1 17 . 1 1 22 22 THR CA C 22 62.381 62.381 62.371 0.010 18226 5687 1 17 . 1 1 22 22 THR CB C 22 69.551 69.551 69.448 0.103 18226 5688 1 17 . 1 1 22 22 THR H H 22 7.821 7.821 8.326 -0.505 18226 5689 1 17 . 1 1 23 23 ASP N N 23 121.930 121.930 119.692 2.238 18226 5690 1 17 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.879 -0.208 18226 5691 1 17 . 1 1 23 23 ASP C C 23 176.164 176.164 175.810 0.354 18226 5692 1 17 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.064 -0.383 18226 5693 1 17 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.839 -2.233 18226 5694 1 17 . 1 1 23 23 ASP H H 23 8.106 8.106 8.016 0.090 18226 5695 1 17 . 1 1 24 24 TRP N N 24 121.947 121.947 119.576 2.371 18226 5696 1 17 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.910 -0.428 18226 5697 1 17 . 1 1 24 24 TRP C C 24 176.496 176.496 175.646 0.850 18226 5698 1 17 . 1 1 24 24 TRP CA C 24 58.238 58.238 56.508 1.730 18226 5699 1 17 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.574 -0.385 18226 5700 1 17 . 1 1 24 24 TRP H H 24 7.991 7.991 8.392 -0.401 18226 5701 1 17 . 1 1 25 25 LYS N N 25 119.673 119.673 116.555 3.118 18226 5702 1 17 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.128 -0.139 18226 5703 1 17 . 1 1 25 25 LYS C C 25 176.770 176.770 175.390 1.380 18226 5704 1 17 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.698 1.769 18226 5705 1 17 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.639 0.314 18226 5706 1 17 . 1 1 25 25 LYS H H 25 7.588 7.588 7.541 0.047 18226 5707 1 17 . 1 1 26 26 SER N N 26 114.157 114.157 115.056 -0.899 18226 5708 1 17 . 1 1 26 26 SER HA H 26 4.462 4.462 4.600 -0.138 18226 5709 1 17 . 1 1 26 26 SER C C 26 175.126 175.126 173.474 1.652 18226 5710 1 17 . 1 1 26 26 SER CA C 26 58.673 58.673 58.239 0.434 18226 5711 1 17 . 1 1 26 26 SER CB C 26 63.801 63.801 63.990 -0.189 18226 5712 1 17 . 1 1 26 26 SER H H 26 7.823 7.823 7.591 0.232 18226 5713 1 17 . 1 1 27 27 SER N N 27 117.353 117.353 115.894 1.459 18226 5714 1 17 . 1 1 27 27 SER HA H 27 4.288 4.288 4.169 0.119 18226 5715 1 17 . 1 1 27 27 SER C C 27 175.598 175.598 174.318 1.280 18226 5716 1 17 . 1 1 27 27 SER CA C 27 60.216 60.216 59.562 0.654 18226 5717 1 17 . 1 1 27 27 SER CB C 27 63.684 63.684 61.870 1.814 18226 5718 1 17 . 1 1 27 27 SER H H 27 8.178 8.178 8.655 -0.477 18226 5719 1 17 . 1 1 28 28 GLY N N 28 110.249 110.249 104.954 5.295 18226 5720 1 17 . 1 1 28 28 GLY C C 28 174.667 174.667 173.110 1.557 18226 5721 1 17 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.843 0.433 18226 5722 1 17 . 1 1 28 28 GLY H H 28 8.359 8.359 7.559 0.800 18226 5723 1 17 . 1 1 29 29 ALA N N 29 121.959 121.959 121.587 0.372 18226 5724 1 17 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.500 -0.172 18226 5725 1 17 . 1 1 29 29 ALA C C 29 177.873 177.873 176.470 1.403 18226 5726 1 17 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.223 0.038 18226 5727 1 17 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.960 -0.323 18226 5728 1 17 . 1 1 29 29 ALA H H 29 7.931 7.931 8.326 -0.395 18226 5729 1 17 . 1 1 30 30 LEU N N 30 117.460 117.460 117.694 -0.234 18226 5730 1 17 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.400 -0.192 18226 5731 1 17 . 1 1 30 30 LEU CA C 30 57.392 57.392 56.251 1.141 18226 5732 1 17 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.398 0.207 18226 5733 1 17 . 1 1 30 30 LEU H H 30 7.924 7.924 7.850 0.074 18226 5734 1 17 . 1 1 31 31 ILE N N 31 117.379 117.379 120.428 -3.049 18226 5735 1 17 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.130 -0.207 18226 5736 1 17 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.472 2.539 18226 5737 1 17 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.075 -0.852 18226 5738 1 17 . 1 1 31 31 ILE H H 31 8.100 8.100 8.211 -0.111 18226 5739 1 17 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.607 -0.289 18226 5740 1 17 . 1 1 32 32 PRO C C 32 178.706 178.706 175.792 2.914 18226 5741 1 17 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.210 2.821 18226 5742 1 17 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.265 1.002 18226 5743 1 17 . 1 1 33 33 ALA N N 33 119.040 119.040 121.272 -2.232 18226 5744 1 17 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.510 -0.315 18226 5745 1 17 . 1 1 33 33 ALA C C 33 179.052 179.052 177.276 1.776 18226 5746 1 17 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.607 2.786 18226 5747 1 17 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.409 -1.878 18226 5748 1 17 . 1 1 33 33 ALA H H 33 7.462 7.462 7.922 -0.460 18226 5749 1 17 . 1 1 34 34 ILE N N 34 118.037 118.037 113.185 4.852 18226 5750 1 17 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.354 -0.632 18226 5751 1 17 . 1 1 34 34 ILE C C 34 177.827 177.827 176.388 1.439 18226 5752 1 17 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.014 3.010 18226 5753 1 17 . 1 1 34 34 ILE CB C 34 37.341 37.341 40.105 -2.764 18226 5754 1 17 . 1 1 34 34 ILE H H 34 8.176 8.176 7.461 0.715 18226 5755 1 17 . 1 1 35 35 TYR N N 35 118.783 118.783 120.559 -1.776 18226 5756 1 17 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.733 -0.588 18226 5757 1 17 . 1 1 35 35 TYR C C 35 178.062 178.062 176.030 2.032 18226 5758 1 17 . 1 1 35 35 TYR CA C 35 61.548 61.548 59.597 1.951 18226 5759 1 17 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.356 -0.614 18226 5760 1 17 . 1 1 35 35 TYR H H 35 8.306 8.306 7.957 0.349 18226 5761 1 17 . 1 1 36 36 MET N N 36 118.068 118.068 117.665 0.403 18226 5762 1 17 . 1 1 36 36 MET HA H 36 4.317 4.317 4.580 -0.263 18226 5763 1 17 . 1 1 36 36 MET C C 36 178.183 178.183 175.677 2.506 18226 5764 1 17 . 1 1 36 36 MET CA C 36 58.533 58.533 55.941 2.592 18226 5765 1 17 . 1 1 36 36 MET CB C 36 32.288 32.288 33.594 -1.306 18226 5766 1 17 . 1 1 36 36 MET H H 36 8.090 8.090 8.203 -0.113 18226 5767 1 17 . 1 1 37 37 LEU N N 37 120.316 120.316 118.896 1.420 18226 5768 1 17 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.531 -0.416 18226 5769 1 17 . 1 1 37 37 LEU C C 37 178.353 178.353 176.697 1.656 18226 5770 1 17 . 1 1 37 37 LEU CA C 37 58.330 58.330 55.282 3.048 18226 5771 1 17 . 1 1 37 37 LEU CB C 37 41.914 41.914 42.341 -0.427 18226 5772 1 17 . 1 1 37 37 LEU H H 37 8.106 8.106 7.660 0.446 18226 5773 1 17 . 1 1 38 38 VAL N N 38 118.385 118.385 116.302 2.083 18226 5774 1 17 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.153 -0.624 18226 5775 1 17 . 1 1 38 38 VAL C C 38 178.216 178.216 177.220 0.996 18226 5776 1 17 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.435 3.607 18226 5777 1 17 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.765 -1.140 18226 5778 1 17 . 1 1 38 38 VAL H H 38 8.305 8.305 7.237 1.068 18226 5779 1 17 . 1 1 39 39 PHE N N 39 120.216 120.216 121.909 -1.693 18226 5780 1 17 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.141 0.120 18226 5781 1 17 . 1 1 39 39 PHE C C 39 178.597 178.597 174.835 3.762 18226 5782 1 17 . 1 1 39 39 PHE CA C 39 61.320 61.320 60.904 0.416 18226 5783 1 17 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.578 -0.689 18226 5784 1 17 . 1 1 39 39 PHE H H 39 8.196 8.196 7.996 0.200 18226 5785 1 17 . 1 1 40 40 LEU N N 40 120.772 120.772 111.671 9.101 18226 5786 1 17 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.542 -0.492 18226 5787 1 17 . 1 1 40 40 LEU C C 40 179.666 179.666 175.305 4.361 18226 5788 1 17 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.225 3.681 18226 5789 1 17 . 1 1 40 40 LEU CB C 40 42.340 42.340 40.935 1.405 18226 5790 1 17 . 1 1 40 40 LEU H H 40 8.452 8.452 7.616 0.836 18226 5791 1 17 . 1 1 41 41 LEU N N 41 119.185 119.185 119.288 -0.103 18226 5792 1 17 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.695 -0.596 18226 5793 1 17 . 1 1 41 41 LEU C C 41 178.878 178.878 177.367 1.511 18226 5794 1 17 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.211 1.175 18226 5795 1 17 . 1 1 41 41 LEU CB C 41 41.855 41.855 44.766 -2.910 18226 5796 1 17 . 1 1 41 41 LEU H H 41 8.435 8.435 7.711 0.724 18226 5797 1 17 . 1 1 42 42 GLY N N 42 105.718 105.718 106.647 -0.929 18226 5798 1 17 . 1 1 42 42 GLY C C 42 174.908 174.908 174.253 0.655 18226 5799 1 17 . 1 1 42 42 GLY CA C 42 46.642 46.642 45.559 1.083 18226 5800 1 17 . 1 1 42 42 GLY H H 42 8.208 8.208 7.858 0.350 18226 5801 1 17 . 1 1 43 43 THR N N 43 111.959 111.959 113.488 -1.529 18226 5802 1 17 . 1 1 43 43 THR HA H 43 4.348 4.348 4.210 0.138 18226 5803 1 17 . 1 1 43 43 THR C C 43 175.665 175.665 175.532 0.133 18226 5804 1 17 . 1 1 43 43 THR CA C 43 63.097 63.097 63.425 -0.328 18226 5805 1 17 . 1 1 43 43 THR CB C 43 69.867 69.867 69.156 0.711 18226 5806 1 17 . 1 1 43 43 THR H H 43 7.789 7.789 7.516 0.273 18226 5807 1 17 . 1 1 44 44 THR N N 44 113.271 113.271 118.182 -4.911 18226 5808 1 17 . 1 1 44 44 THR HA H 44 4.308 4.308 4.022 0.286 18226 5809 1 17 . 1 1 44 44 THR C C 44 175.754 175.754 175.487 0.267 18226 5810 1 17 . 1 1 44 44 THR CA C 44 63.194 63.194 64.510 -1.316 18226 5811 1 17 . 1 1 44 44 THR CB C 44 70.171 70.171 68.750 1.421 18226 5812 1 17 . 1 1 44 44 THR H H 44 7.833 7.833 8.394 -0.561 18226 5813 1 17 . 1 1 45 45 GLY N N 45 109.879 109.879 106.666 3.213 18226 5814 1 17 . 1 1 45 45 GLY C C 45 175.221 175.221 173.659 1.562 18226 5815 1 17 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.161 1.378 18226 5816 1 17 . 1 1 45 45 GLY H H 45 8.259 8.259 8.188 0.071 18226 5817 1 17 . 1 1 46 46 ASN N N 46 117.998 117.998 116.608 1.390 18226 5818 1 17 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.928 -0.316 18226 5819 1 17 . 1 1 46 46 ASN C C 46 176.215 176.215 175.169 1.046 18226 5820 1 17 . 1 1 46 46 ASN CA C 46 54.840 54.840 52.735 2.105 18226 5821 1 17 . 1 1 46 46 ASN CB C 46 38.566 38.566 39.105 -0.539 18226 5822 1 17 . 1 1 46 46 ASN H H 46 8.235 8.235 8.269 -0.034 18226 5823 1 17 . 1 1 47 47 GLY N N 47 106.990 106.990 107.227 -0.237 18226 5824 1 17 . 1 1 47 47 GLY C C 47 174.659 174.659 174.499 0.160 18226 5825 1 17 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.219 1.760 18226 5826 1 17 . 1 1 47 47 GLY H H 47 8.425 8.425 8.248 0.177 18226 5827 1 17 . 1 1 48 48 LEU N N 48 120.699 120.699 116.679 4.020 18226 5828 1 17 . 1 1 48 48 LEU HA H 48 4.300 4.300 5.075 -0.775 18226 5829 1 17 . 1 1 48 48 LEU C C 48 179.482 179.482 176.084 3.398 18226 5830 1 17 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.368 2.077 18226 5831 1 17 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.908 -1.342 18226 5832 1 17 . 1 1 48 48 LEU H H 48 7.956 7.956 7.541 0.415 18226 5833 1 17 . 1 1 49 49 VAL N N 49 120.101 120.101 118.211 1.890 18226 5834 1 17 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.209 -0.330 18226 5835 1 17 . 1 1 49 49 VAL C C 49 177.535 177.535 176.093 1.442 18226 5836 1 17 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.332 2.530 18226 5837 1 17 . 1 1 49 49 VAL CB C 49 31.779 31.779 34.555 -2.776 18226 5838 1 17 . 1 1 49 49 VAL H H 49 7.919 7.919 8.144 -0.225 18226 5839 1 17 . 1 1 50 50 LEU N N 50 119.268 119.268 122.491 -3.223 18226 5840 1 17 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.656 -0.613 18226 5841 1 17 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.629 0.216 18226 5842 1 17 . 1 1 50 50 LEU CB C 50 41.877 41.877 41.943 -0.066 18226 5843 1 17 . 1 1 50 50 LEU H H 50 7.731 7.731 8.068 -0.337 18226 5844 1 17 . 1 1 51 51 TRP N N 51 118.033 118.033 119.844 -1.811 18226 5845 1 17 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.766 -0.174 18226 5846 1 17 . 1 1 51 51 TRP C C 51 177.302 177.302 176.476 0.826 18226 5847 1 17 . 1 1 51 51 TRP CA C 51 59.789 59.789 60.126 -0.336 18226 5848 1 17 . 1 1 51 51 TRP CB C 51 30.207 30.207 28.470 1.737 18226 5849 1 17 . 1 1 51 51 TRP H H 51 8.070 8.070 8.564 -0.494 18226 5850 1 17 . 1 1 52 52 THR N N 52 113.014 113.014 113.081 -0.067 18226 5851 1 17 . 1 1 52 52 THR HA H 52 3.746 3.746 3.773 -0.027 18226 5852 1 17 . 1 1 52 52 THR C C 52 176.361 176.361 175.703 0.658 18226 5853 1 17 . 1 1 52 52 THR CA C 52 66.443 66.443 63.152 3.291 18226 5854 1 17 . 1 1 52 52 THR CB C 52 69.017 69.017 68.435 0.582 18226 5855 1 17 . 1 1 52 52 THR H H 52 8.101 8.101 7.960 0.141 18226 5856 1 17 . 1 1 53 53 VAL N N 53 120.231 120.231 122.305 -2.074 18226 5857 1 17 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.787 -0.109 18226 5858 1 17 . 1 1 53 53 VAL C C 53 177.482 177.482 176.837 0.645 18226 5859 1 17 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.388 -0.230 18226 5860 1 17 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.928 -0.161 18226 5861 1 17 . 1 1 53 53 VAL H H 53 7.905 7.905 7.818 0.087 18226 5862 1 17 . 1 1 54 54 PHE N N 54 118.609 118.609 116.322 2.287 18226 5863 1 17 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.432 -0.199 18226 5864 1 17 . 1 1 54 54 PHE CA C 54 60.666 60.666 57.284 3.382 18226 5865 1 17 . 1 1 54 54 PHE CB C 54 39.258 39.258 37.907 1.351 18226 5866 1 17 . 1 1 54 54 PHE H H 54 8.025 8.025 7.836 0.189 18226 5867 1 17 . 1 1 55 55 ARG N N 55 117.305 117.305 121.005 -3.700 18226 5868 1 17 . 1 1 55 55 ARG HA H 55 3.808 3.808 3.720 0.088 18226 5869 1 17 . 1 1 55 55 ARG CA C 55 57.710 57.710 56.531 1.179 18226 5870 1 17 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.999 -1.336 18226 5871 1 17 . 1 1 55 55 ARG H H 55 8.025 8.025 7.124 0.901 18226 5872 1 17 . 1 1 56 56 LYS N N 56 118.321 118.321 119.464 -1.143 18226 5873 1 17 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.022 0.148 18226 5874 1 17 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.734 -1.294 18226 5875 1 17 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.614 1.315 18226 5876 1 17 . 1 1 56 56 LYS H H 56 7.717 7.717 7.868 -0.151 18226 5877 1 17 . 1 1 57 57 LYS N N 57 118.349 118.349 117.344 1.005 18226 5878 1 17 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.123 0.166 18226 5879 1 17 . 1 1 57 57 LYS C C 57 176.891 176.891 176.806 0.085 18226 5880 1 17 . 1 1 57 57 LYS CA C 57 56.373 56.373 56.695 -0.322 18226 5881 1 17 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.940 -0.076 18226 5882 1 17 . 1 1 57 57 LYS H H 57 7.872 7.872 7.542 0.330 18226 5883 1 17 . 1 1 58 58 GLY N N 58 107.442 107.442 107.085 0.357 18226 5884 1 17 . 1 1 58 58 GLY C C 58 173.263 173.263 175.160 -1.897 18226 5885 1 17 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.601 0.956 18226 5886 1 17 . 1 1 58 58 GLY H H 58 8.060 8.060 7.999 0.061 18226 5887 1 17 . 1 1 59 59 HIS N N 59 116.928 116.928 122.498 -5.570 18226 5888 1 17 . 1 1 59 59 HIS HA H 59 4.668 4.668 3.971 0.697 18226 5889 1 17 . 1 1 59 59 HIS C C 59 173.935 173.935 174.824 -0.889 18226 5890 1 17 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.653 -3.568 18226 5891 1 17 . 1 1 59 59 HIS CB C 59 29.223 29.223 30.218 -0.995 18226 5892 1 17 . 1 1 59 59 HIS H H 59 8.076 8.076 8.813 -0.737 18226 5893 1 17 . 1 1 60 60 HIS N N 60 119.187 119.187 112.955 6.232 18226 5894 1 17 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.606 0.065 18226 5895 1 17 . 1 1 60 60 HIS C C 60 173.926 173.926 173.702 0.224 18226 5896 1 17 . 1 1 60 60 HIS CA C 60 55.429 55.429 54.771 0.658 18226 5897 1 17 . 1 1 60 60 HIS CB C 60 29.157 29.157 30.893 -1.736 18226 5898 1 17 . 1 1 60 60 HIS H H 60 8.547 8.547 7.718 0.829 18226 5899 1 17 . 1 1 61 61 HIS N N 61 120.017 120.017 118.311 1.706 18226 5900 1 17 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.026 0.641 18226 5901 1 17 . 1 1 61 61 HIS C C 61 173.994 173.994 172.687 1.307 18226 5902 1 17 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.531 -1.098 18226 5903 1 17 . 1 1 61 61 HIS CB C 61 29.201 29.201 28.634 0.567 18226 5904 1 17 . 1 1 61 61 HIS H H 61 8.662 8.662 7.671 0.991 18226 5905 1 17 . 1 1 62 62 HIS N N 62 120.463 120.463 124.843 -4.380 18226 5906 1 17 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.493 0.164 18226 5907 1 17 . 1 1 62 62 HIS C C 62 173.939 173.939 173.278 0.661 18226 5908 1 17 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.259 0.117 18226 5909 1 17 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.704 -1.413 18226 5910 1 17 . 1 1 62 62 HIS H H 62 8.729 8.729 8.471 0.258 18226 5911 1 17 . 1 1 63 63 HIS N N 63 120.370 120.370 124.200 -3.830 18226 5912 1 17 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.535 0.123 18226 5913 1 17 . 1 1 63 63 HIS C C 63 173.564 173.564 175.396 -1.832 18226 5914 1 17 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.092 0.516 18226 5915 1 17 . 1 1 63 63 HIS CB C 63 29.365 29.365 30.702 -1.337 18226 5916 1 17 . 1 1 63 63 HIS H H 63 8.619 8.619 8.930 -0.311 18226 5917 1 18 . 1 1 2 2 GLU N N 2 123.545 123.545 120.378 3.167 18226 5918 1 18 . 1 1 2 2 GLU HA H 2 4.386 4.386 3.991 0.395 18226 5919 1 18 . 1 1 2 2 GLU C C 2 175.742 175.742 175.889 -0.147 18226 5920 1 18 . 1 1 2 2 GLU CA C 2 56.363 56.363 57.669 -1.306 18226 5921 1 18 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.304 0.451 18226 5922 1 18 . 1 1 2 2 GLU H H 2 8.765 8.765 8.818 -0.053 18226 5923 1 18 . 1 1 3 3 GLU N N 3 122.227 122.227 119.683 2.544 18226 5924 1 18 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.062 0.271 18226 5925 1 18 . 1 1 3 3 GLU C C 3 176.636 176.636 175.620 1.016 18226 5926 1 18 . 1 1 3 3 GLU CA C 3 56.488 56.488 57.062 -0.574 18226 5927 1 18 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.376 0.381 18226 5928 1 18 . 1 1 3 3 GLU H H 3 8.550 8.550 8.262 0.288 18226 5929 1 18 . 1 1 4 4 GLY N N 4 110.108 110.108 110.160 -0.052 18226 5930 1 18 . 1 1 4 4 GLY C C 4 174.548 174.548 174.403 0.145 18226 5931 1 18 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.787 -0.312 18226 5932 1 18 . 1 1 4 4 GLY H H 4 8.453 8.453 8.470 -0.017 18226 5933 1 18 . 1 1 5 5 GLY N N 5 108.466 108.466 110.279 -1.813 18226 5934 1 18 . 1 1 5 5 GLY C C 5 173.790 173.790 174.930 -1.140 18226 5935 1 18 . 1 1 5 5 GLY CA C 5 45.364 45.364 46.405 -1.041 18226 5936 1 18 . 1 1 5 5 GLY H H 5 8.168 8.168 8.564 -0.396 18226 5937 1 18 . 1 1 6 6 ASP N N 6 119.764 119.764 120.425 -0.661 18226 5938 1 18 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.641 -0.058 18226 5939 1 18 . 1 1 6 6 ASP C C 6 175.811 175.811 177.315 -1.504 18226 5940 1 18 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.540 -0.548 18226 5941 1 18 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.127 -0.870 18226 5942 1 18 . 1 1 6 6 ASP H H 6 8.187 8.187 8.152 0.035 18226 5943 1 18 . 1 1 7 7 PHE N N 7 119.941 119.941 116.933 3.008 18226 5944 1 18 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.214 0.352 18226 5945 1 18 . 1 1 7 7 PHE C C 7 175.636 175.636 173.610 2.026 18226 5946 1 18 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.479 -0.408 18226 5947 1 18 . 1 1 7 7 PHE CB C 7 39.319 39.319 37.861 1.458 18226 5948 1 18 . 1 1 7 7 PHE H H 7 8.103 8.103 7.953 0.150 18226 5949 1 18 . 1 1 8 8 ASP N N 8 120.418 120.418 117.292 3.126 18226 5950 1 18 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.782 -0.245 18226 5951 1 18 . 1 1 8 8 ASP C C 8 175.548 175.548 175.436 0.112 18226 5952 1 18 . 1 1 8 8 ASP CA C 8 54.373 54.373 53.164 1.208 18226 5953 1 18 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.398 -0.012 18226 5954 1 18 . 1 1 8 8 ASP H H 8 8.177 8.177 8.333 -0.156 18226 5955 1 18 . 1 1 9 9 ASN N N 9 118.260 118.260 118.501 -0.241 18226 5956 1 18 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.792 -0.205 18226 5957 1 18 . 1 1 9 9 ASN C C 9 174.782 174.782 174.303 0.479 18226 5958 1 18 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.860 -0.463 18226 5959 1 18 . 1 1 9 9 ASN CB C 9 38.762 38.762 40.593 -1.831 18226 5960 1 18 . 1 1 9 9 ASN H H 9 8.057 8.057 7.702 0.355 18226 5961 1 18 . 1 1 10 10 TYR N N 10 120.145 120.145 121.709 -1.564 18226 5962 1 18 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.087 0.352 18226 5963 1 18 . 1 1 10 10 TYR C C 10 175.520 175.520 173.832 1.688 18226 5964 1 18 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.566 -1.197 18226 5965 1 18 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.898 0.851 18226 5966 1 18 . 1 1 10 10 TYR H H 10 7.951 7.951 8.802 -0.851 18226 5967 1 18 . 1 1 11 11 TYR N N 11 121.223 121.223 119.442 1.781 18226 5968 1 18 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.613 -0.114 18226 5969 1 18 . 1 1 11 11 TYR C C 11 175.974 175.974 174.899 1.075 18226 5970 1 18 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.034 0.039 18226 5971 1 18 . 1 1 11 11 TYR CB C 11 38.671 38.671 39.633 -0.962 18226 5972 1 18 . 1 1 11 11 TYR H H 11 7.971 7.971 7.854 0.117 18226 5973 1 18 . 1 1 12 12 GLY N N 12 109.861 109.861 110.868 -1.007 18226 5974 1 18 . 1 1 12 12 GLY C C 12 173.775 173.775 173.788 -0.013 18226 5975 1 18 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.618 -0.238 18226 5976 1 18 . 1 1 12 12 GLY H H 12 7.769 7.769 8.191 -0.422 18226 5977 1 18 . 1 1 13 13 ALA N N 13 123.378 123.378 122.978 0.400 18226 5978 1 18 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.374 -0.072 18226 5979 1 18 . 1 1 13 13 ALA C C 13 177.509 177.509 176.304 1.205 18226 5980 1 18 . 1 1 13 13 ALA CA C 13 52.627 52.627 51.948 0.679 18226 5981 1 18 . 1 1 13 13 ALA CB C 13 19.444 19.444 18.940 0.504 18226 5982 1 18 . 1 1 13 13 ALA H H 13 7.975 7.975 7.418 0.557 18226 5983 1 18 . 1 1 14 14 ASP N N 14 118.494 118.494 119.595 -1.101 18226 5984 1 18 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.410 0.224 18226 5985 1 18 . 1 1 14 14 ASP C C 14 175.747 175.747 174.645 1.102 18226 5986 1 18 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.901 -0.899 18226 5987 1 18 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.067 0.095 18226 5988 1 18 . 1 1 14 14 ASP H H 14 8.307 8.307 8.426 -0.119 18226 5989 1 18 . 1 1 15 15 ASN N N 15 118.834 118.834 113.853 4.981 18226 5990 1 18 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.760 -0.098 18226 5991 1 18 . 1 1 15 15 ASN C C 15 175.258 175.258 176.053 -0.795 18226 5992 1 18 . 1 1 15 15 ASN CA C 15 53.515 53.515 52.530 0.985 18226 5993 1 18 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.350 0.407 18226 5994 1 18 . 1 1 15 15 ASN H H 15 8.221 8.221 7.843 0.378 18226 5995 1 18 . 1 1 16 16 GLN N N 16 120.413 120.413 120.944 -0.531 18226 5996 1 18 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.183 0.172 18226 5997 1 18 . 1 1 16 16 GLN C C 16 176.096 176.096 176.694 -0.598 18226 5998 1 18 . 1 1 16 16 GLN CA C 16 56.240 56.240 58.111 -1.871 18226 5999 1 18 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.777 0.593 18226 6000 1 18 . 1 1 16 16 GLN H H 16 8.295 8.295 8.721 -0.426 18226 6001 1 18 . 1 1 17 17 SER N N 17 116.692 116.692 111.180 5.512 18226 6002 1 18 . 1 1 17 17 SER HA H 17 4.428 4.428 4.513 -0.085 18226 6003 1 18 . 1 1 17 17 SER C C 17 174.523 174.523 173.591 0.932 18226 6004 1 18 . 1 1 17 17 SER CA C 17 58.683 58.683 58.117 0.566 18226 6005 1 18 . 1 1 17 17 SER CB C 17 63.794 63.794 64.638 -0.844 18226 6006 1 18 . 1 1 17 17 SER H H 17 8.267 8.267 7.987 0.280 18226 6007 1 18 . 1 1 18 18 GLU N N 18 122.142 122.142 125.012 -2.870 18226 6008 1 18 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.374 -0.011 18226 6009 1 18 . 1 1 18 18 GLU C C 18 175.937 175.937 175.545 0.392 18226 6010 1 18 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.590 -0.285 18226 6011 1 18 . 1 1 18 18 GLU CB C 18 29.506 29.506 28.878 0.628 18226 6012 1 18 . 1 1 18 18 GLU H H 18 8.330 8.330 8.454 -0.124 18226 6013 1 18 . 1 1 19 19 CYS N N 19 120.077 120.077 122.649 -2.572 18226 6014 1 18 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.785 -0.353 18226 6015 1 18 . 1 1 19 19 CYS C C 19 174.442 174.442 174.649 -0.207 18226 6016 1 18 . 1 1 19 19 CYS CA C 19 58.613 58.613 58.548 0.065 18226 6017 1 18 . 1 1 19 19 CYS CB C 19 27.999 27.999 28.389 -0.390 18226 6018 1 18 . 1 1 19 19 CYS H H 19 8.276 8.276 8.258 0.018 18226 6019 1 18 . 1 1 20 20 GLU N N 20 123.369 123.369 120.243 3.126 18226 6020 1 18 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.391 -0.088 18226 6021 1 18 . 1 1 20 20 GLU C C 20 175.858 175.858 177.171 -1.313 18226 6022 1 18 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.640 -0.183 18226 6023 1 18 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.723 -0.573 18226 6024 1 18 . 1 1 20 20 GLU H H 20 8.400 8.400 8.452 -0.052 18226 6025 1 18 . 1 1 21 21 TYR N N 21 119.980 119.980 119.773 0.207 18226 6026 1 18 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.212 0.332 18226 6027 1 18 . 1 1 21 21 TYR C C 21 175.669 175.669 176.929 -1.260 18226 6028 1 18 . 1 1 21 21 TYR CA C 21 58.103 58.103 61.147 -3.043 18226 6029 1 18 . 1 1 21 21 TYR CB C 21 38.677 38.677 38.531 0.146 18226 6030 1 18 . 1 1 21 21 TYR H H 21 7.991 7.991 8.069 -0.078 18226 6031 1 18 . 1 1 22 22 THR N N 22 113.984 113.984 104.083 9.901 18226 6032 1 18 . 1 1 22 22 THR HA H 22 4.164 4.164 4.747 -0.583 18226 6033 1 18 . 1 1 22 22 THR C C 22 174.259 174.259 174.201 0.058 18226 6034 1 18 . 1 1 22 22 THR CA C 22 62.381 62.381 62.360 0.021 18226 6035 1 18 . 1 1 22 22 THR CB C 22 69.551 69.551 69.292 0.259 18226 6036 1 18 . 1 1 22 22 THR H H 22 7.821 7.821 7.949 -0.128 18226 6037 1 18 . 1 1 23 23 ASP N N 23 121.930 121.930 122.899 -0.969 18226 6038 1 18 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.862 -0.191 18226 6039 1 18 . 1 1 23 23 ASP C C 23 176.164 176.164 176.676 -0.512 18226 6040 1 18 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.752 -1.071 18226 6041 1 18 . 1 1 23 23 ASP CB C 23 39.606 39.606 40.767 -1.161 18226 6042 1 18 . 1 1 23 23 ASP H H 23 8.106 8.106 8.626 -0.520 18226 6043 1 18 . 1 1 24 24 TRP N N 24 121.947 121.947 118.379 3.568 18226 6044 1 18 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.697 -0.215 18226 6045 1 18 . 1 1 24 24 TRP C C 24 176.496 176.496 175.354 1.142 18226 6046 1 18 . 1 1 24 24 TRP CA C 24 58.238 58.238 56.454 1.784 18226 6047 1 18 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.596 0.593 18226 6048 1 18 . 1 1 24 24 TRP H H 24 7.991 7.991 8.185 -0.194 18226 6049 1 18 . 1 1 25 25 LYS N N 25 119.673 119.673 116.208 3.465 18226 6050 1 18 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.177 -0.188 18226 6051 1 18 . 1 1 25 25 LYS C C 25 176.770 176.770 176.141 0.629 18226 6052 1 18 . 1 1 25 25 LYS CA C 25 57.467 57.467 56.147 1.320 18226 6053 1 18 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.003 0.950 18226 6054 1 18 . 1 1 25 25 LYS H H 25 7.588 7.588 7.313 0.275 18226 6055 1 18 . 1 1 26 26 SER N N 26 114.157 114.157 116.455 -2.298 18226 6056 1 18 . 1 1 26 26 SER HA H 26 4.462 4.462 4.452 0.010 18226 6057 1 18 . 1 1 26 26 SER C C 26 175.126 175.126 175.580 -0.454 18226 6058 1 18 . 1 1 26 26 SER CA C 26 58.673 58.673 59.289 -0.616 18226 6059 1 18 . 1 1 26 26 SER CB C 26 63.801 63.801 63.419 0.382 18226 6060 1 18 . 1 1 26 26 SER H H 26 7.823 7.823 8.089 -0.266 18226 6061 1 18 . 1 1 27 27 SER N N 27 117.353 117.353 115.464 1.889 18226 6062 1 18 . 1 1 27 27 SER HA H 27 4.288 4.288 4.596 -0.308 18226 6063 1 18 . 1 1 27 27 SER C C 27 175.598 175.598 175.436 0.162 18226 6064 1 18 . 1 1 27 27 SER CA C 27 60.216 60.216 58.560 1.656 18226 6065 1 18 . 1 1 27 27 SER CB C 27 63.684 63.684 63.237 0.447 18226 6066 1 18 . 1 1 27 27 SER H H 27 8.178 8.178 8.258 -0.080 18226 6067 1 18 . 1 1 28 28 GLY N N 28 110.249 110.249 107.968 2.281 18226 6068 1 18 . 1 1 28 28 GLY C C 28 174.667 174.667 173.570 1.097 18226 6069 1 18 . 1 1 28 28 GLY CA C 28 46.276 46.276 44.951 1.325 18226 6070 1 18 . 1 1 28 28 GLY H H 28 8.359 8.359 7.934 0.425 18226 6071 1 18 . 1 1 29 29 ALA N N 29 121.959 121.959 123.079 -1.120 18226 6072 1 18 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.392 -0.064 18226 6073 1 18 . 1 1 29 29 ALA C C 29 177.873 177.873 177.577 0.296 18226 6074 1 18 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.322 -0.061 18226 6075 1 18 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.512 0.125 18226 6076 1 18 . 1 1 29 29 ALA H H 29 7.931 7.931 7.649 0.282 18226 6077 1 18 . 1 1 30 30 LEU N N 30 117.460 117.460 117.537 -0.077 18226 6078 1 18 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.420 -0.212 18226 6079 1 18 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.293 2.099 18226 6080 1 18 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.269 0.336 18226 6081 1 18 . 1 1 30 30 LEU H H 30 7.924 7.924 7.850 0.074 18226 6082 1 18 . 1 1 31 31 ILE N N 31 117.379 117.379 119.501 -2.122 18226 6083 1 18 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.289 -0.366 18226 6084 1 18 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.859 2.151 18226 6085 1 18 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.640 -1.417 18226 6086 1 18 . 1 1 31 31 ILE H H 31 8.100 8.100 7.915 0.185 18226 6087 1 18 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.602 -0.284 18226 6088 1 18 . 1 1 32 32 PRO C C 32 178.706 178.706 176.321 2.385 18226 6089 1 18 . 1 1 32 32 PRO CA C 32 66.031 66.031 64.131 1.900 18226 6090 1 18 . 1 1 32 32 PRO CB C 32 31.267 31.267 31.379 -0.112 18226 6091 1 18 . 1 1 33 33 ALA N N 33 119.040 119.040 120.387 -1.347 18226 6092 1 18 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.428 -0.233 18226 6093 1 18 . 1 1 33 33 ALA C C 33 179.052 179.052 177.279 1.773 18226 6094 1 18 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.477 2.916 18226 6095 1 18 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.144 -0.613 18226 6096 1 18 . 1 1 33 33 ALA H H 33 7.462 7.462 8.172 -0.710 18226 6097 1 18 . 1 1 34 34 ILE N N 34 118.037 118.037 115.462 2.575 18226 6098 1 18 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.148 -0.426 18226 6099 1 18 . 1 1 34 34 ILE C C 34 177.827 177.827 176.816 1.011 18226 6100 1 18 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.185 2.838 18226 6101 1 18 . 1 1 34 34 ILE CB C 34 37.341 37.341 40.035 -2.694 18226 6102 1 18 . 1 1 34 34 ILE H H 34 8.176 8.176 7.376 0.800 18226 6103 1 18 . 1 1 35 35 TYR N N 35 118.783 118.783 119.776 -0.993 18226 6104 1 18 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.379 -0.234 18226 6105 1 18 . 1 1 35 35 TYR C C 35 178.062 178.062 176.781 1.281 18226 6106 1 18 . 1 1 35 35 TYR CA C 35 61.548 61.548 61.494 0.054 18226 6107 1 18 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.256 -0.514 18226 6108 1 18 . 1 1 35 35 TYR H H 35 8.306 8.306 7.732 0.574 18226 6109 1 18 . 1 1 36 36 MET N N 36 118.068 118.068 118.067 0.001 18226 6110 1 18 . 1 1 36 36 MET HA H 36 4.317 4.317 4.608 -0.291 18226 6111 1 18 . 1 1 36 36 MET C C 36 178.183 178.183 177.616 0.567 18226 6112 1 18 . 1 1 36 36 MET CA C 36 58.533 58.533 57.372 1.161 18226 6113 1 18 . 1 1 36 36 MET CB C 36 32.288 32.288 32.523 -0.235 18226 6114 1 18 . 1 1 36 36 MET H H 36 8.090 8.090 8.011 0.079 18226 6115 1 18 . 1 1 37 37 LEU N N 37 120.316 120.316 118.072 2.244 18226 6116 1 18 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.181 -0.066 18226 6117 1 18 . 1 1 37 37 LEU C C 37 178.353 178.353 176.730 1.623 18226 6118 1 18 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.102 2.228 18226 6119 1 18 . 1 1 37 37 LEU CB C 37 41.914 41.914 40.852 1.062 18226 6120 1 18 . 1 1 37 37 LEU H H 37 8.106 8.106 8.186 -0.080 18226 6121 1 18 . 1 1 38 38 VAL N N 38 118.385 118.385 115.724 2.661 18226 6122 1 18 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.061 -0.532 18226 6123 1 18 . 1 1 38 38 VAL C C 38 178.216 178.216 176.928 1.288 18226 6124 1 18 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.504 3.538 18226 6125 1 18 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.756 -1.131 18226 6126 1 18 . 1 1 38 38 VAL H H 38 8.305 8.305 7.137 1.168 18226 6127 1 18 . 1 1 39 39 PHE N N 39 120.216 120.216 121.458 -1.242 18226 6128 1 18 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.144 0.117 18226 6129 1 18 . 1 1 39 39 PHE C C 39 178.597 178.597 175.866 2.731 18226 6130 1 18 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.573 -1.253 18226 6131 1 18 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.733 -0.844 18226 6132 1 18 . 1 1 39 39 PHE H H 39 8.196 8.196 8.113 0.083 18226 6133 1 18 . 1 1 40 40 LEU N N 40 120.772 120.772 117.850 2.922 18226 6134 1 18 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.396 -0.346 18226 6135 1 18 . 1 1 40 40 LEU C C 40 179.666 179.666 175.991 3.675 18226 6136 1 18 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.483 3.423 18226 6137 1 18 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.187 1.153 18226 6138 1 18 . 1 1 40 40 LEU H H 40 8.452 8.452 7.697 0.755 18226 6139 1 18 . 1 1 41 41 LEU N N 41 119.185 119.185 120.297 -1.112 18226 6140 1 18 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.479 -0.380 18226 6141 1 18 . 1 1 41 41 LEU C C 41 178.878 178.878 176.468 2.410 18226 6142 1 18 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.598 0.788 18226 6143 1 18 . 1 1 41 41 LEU CB C 41 41.855 41.855 42.817 -0.962 18226 6144 1 18 . 1 1 41 41 LEU H H 41 8.435 8.435 7.941 0.494 18226 6145 1 18 . 1 1 42 42 GLY N N 42 105.718 105.718 107.047 -1.329 18226 6146 1 18 . 1 1 42 42 GLY C C 42 174.908 174.908 174.157 0.751 18226 6147 1 18 . 1 1 42 42 GLY CA C 42 46.642 46.642 47.184 -0.542 18226 6148 1 18 . 1 1 42 42 GLY H H 42 8.208 8.208 8.242 -0.034 18226 6149 1 18 . 1 1 43 43 THR N N 43 111.959 111.959 113.125 -1.166 18226 6150 1 18 . 1 1 43 43 THR HA H 43 4.348 4.348 4.434 -0.086 18226 6151 1 18 . 1 1 43 43 THR C C 43 175.665 175.665 174.732 0.933 18226 6152 1 18 . 1 1 43 43 THR CA C 43 63.097 63.097 61.849 1.248 18226 6153 1 18 . 1 1 43 43 THR CB C 43 69.867 69.867 69.431 0.436 18226 6154 1 18 . 1 1 43 43 THR H H 43 7.789 7.789 7.149 0.640 18226 6155 1 18 . 1 1 44 44 THR N N 44 113.271 113.271 114.783 -1.512 18226 6156 1 18 . 1 1 44 44 THR HA H 44 4.308 4.308 3.944 0.364 18226 6157 1 18 . 1 1 44 44 THR C C 44 175.754 175.754 174.976 0.778 18226 6158 1 18 . 1 1 44 44 THR CA C 44 63.194 63.194 64.027 -0.833 18226 6159 1 18 . 1 1 44 44 THR CB C 44 70.171 70.171 67.332 2.838 18226 6160 1 18 . 1 1 44 44 THR H H 44 7.833 7.833 8.517 -0.684 18226 6161 1 18 . 1 1 45 45 GLY N N 45 109.879 109.879 108.156 1.723 18226 6162 1 18 . 1 1 45 45 GLY C C 45 175.221 175.221 174.705 0.516 18226 6163 1 18 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.298 1.241 18226 6164 1 18 . 1 1 45 45 GLY H H 45 8.259 8.259 7.635 0.624 18226 6165 1 18 . 1 1 46 46 ASN N N 46 117.998 117.998 120.444 -2.446 18226 6166 1 18 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.745 -0.133 18226 6167 1 18 . 1 1 46 46 ASN C C 46 176.215 176.215 176.280 -0.065 18226 6168 1 18 . 1 1 46 46 ASN CA C 46 54.840 54.840 55.291 -0.452 18226 6169 1 18 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.937 -0.370 18226 6170 1 18 . 1 1 46 46 ASN H H 46 8.235 8.235 8.567 -0.332 18226 6171 1 18 . 1 1 47 47 GLY N N 47 106.990 106.990 105.694 1.296 18226 6172 1 18 . 1 1 47 47 GLY C C 47 174.659 174.659 174.612 0.047 18226 6173 1 18 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.730 1.249 18226 6174 1 18 . 1 1 47 47 GLY H H 47 8.425 8.425 8.028 0.397 18226 6175 1 18 . 1 1 48 48 LEU N N 48 120.699 120.699 115.819 4.880 18226 6176 1 18 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.865 -0.565 18226 6177 1 18 . 1 1 48 48 LEU C C 48 179.482 179.482 176.769 2.713 18226 6178 1 18 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.026 2.420 18226 6179 1 18 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.767 -1.201 18226 6180 1 18 . 1 1 48 48 LEU H H 48 7.956 7.956 7.072 0.884 18226 6181 1 18 . 1 1 49 49 VAL N N 49 120.101 120.101 117.549 2.552 18226 6182 1 18 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.086 -0.207 18226 6183 1 18 . 1 1 49 49 VAL C C 49 177.535 177.535 176.545 0.990 18226 6184 1 18 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.604 1.258 18226 6185 1 18 . 1 1 49 49 VAL CB C 49 31.779 31.779 33.099 -1.321 18226 6186 1 18 . 1 1 49 49 VAL H H 49 7.919 7.919 7.470 0.449 18226 6187 1 18 . 1 1 50 50 LEU N N 50 119.268 119.268 120.374 -1.106 18226 6188 1 18 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.434 -0.391 18226 6189 1 18 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.185 0.660 18226 6190 1 18 . 1 1 50 50 LEU CB C 50 41.877 41.877 43.105 -1.228 18226 6191 1 18 . 1 1 50 50 LEU H H 50 7.731 7.731 7.598 0.133 18226 6192 1 18 . 1 1 51 51 TRP N N 51 118.033 118.033 121.314 -3.281 18226 6193 1 18 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.196 0.396 18226 6194 1 18 . 1 1 51 51 TRP C C 51 177.302 177.302 178.225 -0.923 18226 6195 1 18 . 1 1 51 51 TRP CA C 51 59.789 59.789 61.275 -1.486 18226 6196 1 18 . 1 1 51 51 TRP CB C 51 30.207 30.207 28.872 1.335 18226 6197 1 18 . 1 1 51 51 TRP H H 51 8.070 8.070 7.716 0.354 18226 6198 1 18 . 1 1 52 52 THR N N 52 113.014 113.014 114.963 -1.949 18226 6199 1 18 . 1 1 52 52 THR HA H 52 3.746 3.746 3.867 -0.121 18226 6200 1 18 . 1 1 52 52 THR C C 52 176.361 176.361 176.735 -0.374 18226 6201 1 18 . 1 1 52 52 THR CA C 52 66.443 66.443 66.413 0.030 18226 6202 1 18 . 1 1 52 52 THR CB C 52 69.017 69.017 68.718 0.299 18226 6203 1 18 . 1 1 52 52 THR H H 52 8.101 8.101 8.242 -0.141 18226 6204 1 18 . 1 1 53 53 VAL N N 53 120.231 120.231 121.386 -1.155 18226 6205 1 18 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.568 0.110 18226 6206 1 18 . 1 1 53 53 VAL C C 53 177.482 177.482 177.052 0.430 18226 6207 1 18 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.035 0.123 18226 6208 1 18 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.767 0.000 18226 6209 1 18 . 1 1 53 53 VAL H H 53 7.905 7.905 8.388 -0.483 18226 6210 1 18 . 1 1 54 54 PHE N N 54 118.609 118.609 116.776 1.833 18226 6211 1 18 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.274 -0.041 18226 6212 1 18 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.847 1.819 18226 6213 1 18 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.223 1.035 18226 6214 1 18 . 1 1 54 54 PHE H H 54 8.025 8.025 7.563 0.462 18226 6215 1 18 . 1 1 55 55 ARG N N 55 117.305 117.305 120.247 -2.942 18226 6216 1 18 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.397 -0.589 18226 6217 1 18 . 1 1 55 55 ARG CA C 55 57.710 57.710 56.938 0.772 18226 6218 1 18 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.977 -1.314 18226 6219 1 18 . 1 1 55 55 ARG H H 55 8.025 8.025 7.850 0.175 18226 6220 1 18 . 1 1 56 56 LYS N N 56 118.321 118.321 119.525 -1.204 18226 6221 1 18 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.602 0.568 18226 6222 1 18 . 1 1 56 56 LYS CA C 56 57.440 57.440 59.089 -1.649 18226 6223 1 18 . 1 1 56 56 LYS CB C 56 32.929 32.929 32.209 0.720 18226 6224 1 18 . 1 1 56 56 LYS H H 56 7.717 7.717 7.547 0.170 18226 6225 1 18 . 1 1 57 57 LYS N N 57 118.349 118.349 115.836 2.513 18226 6226 1 18 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.222 0.067 18226 6227 1 18 . 1 1 57 57 LYS C C 57 176.891 176.891 176.605 0.286 18226 6228 1 18 . 1 1 57 57 LYS CA C 57 56.373 56.373 56.262 0.111 18226 6229 1 18 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.847 0.017 18226 6230 1 18 . 1 1 57 57 LYS H H 57 7.872 7.872 7.391 0.481 18226 6231 1 18 . 1 1 58 58 GLY N N 58 107.442 107.442 109.212 -1.770 18226 6232 1 18 . 1 1 58 58 GLY C C 58 173.263 173.263 172.731 0.532 18226 6233 1 18 . 1 1 58 58 GLY CA C 58 45.557 45.557 45.514 0.043 18226 6234 1 18 . 1 1 58 58 GLY H H 58 8.060 8.060 7.807 0.253 18226 6235 1 18 . 1 1 59 59 HIS N N 59 116.928 116.928 120.300 -3.372 18226 6236 1 18 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.660 0.008 18226 6237 1 18 . 1 1 59 59 HIS C C 59 173.935 173.935 174.537 -0.602 18226 6238 1 18 . 1 1 59 59 HIS CA C 59 55.085 55.085 56.526 -1.441 18226 6239 1 18 . 1 1 59 59 HIS CB C 59 29.223 29.223 30.060 -0.837 18226 6240 1 18 . 1 1 59 59 HIS H H 59 8.076 8.076 8.478 -0.402 18226 6241 1 18 . 1 1 60 60 HIS N N 60 119.187 119.187 116.975 2.212 18226 6242 1 18 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.395 0.276 18226 6243 1 18 . 1 1 60 60 HIS C C 60 173.926 173.926 175.177 -1.251 18226 6244 1 18 . 1 1 60 60 HIS CA C 60 55.429 55.429 55.896 -0.467 18226 6245 1 18 . 1 1 60 60 HIS CB C 60 29.157 29.157 30.439 -1.282 18226 6246 1 18 . 1 1 60 60 HIS H H 60 8.547 8.547 7.692 0.855 18226 6247 1 18 . 1 1 61 61 HIS N N 61 120.017 120.017 117.905 2.112 18226 6248 1 18 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.574 0.093 18226 6249 1 18 . 1 1 61 61 HIS C C 61 173.994 173.994 174.827 -0.833 18226 6250 1 18 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.507 -0.074 18226 6251 1 18 . 1 1 61 61 HIS CB C 61 29.201 29.201 31.561 -2.360 18226 6252 1 18 . 1 1 61 61 HIS H H 61 8.662 8.662 7.837 0.825 18226 6253 1 18 . 1 1 62 62 HIS N N 62 120.463 120.463 119.784 0.679 18226 6254 1 18 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.475 0.182 18226 6255 1 18 . 1 1 62 62 HIS C C 62 173.939 173.939 174.332 -0.393 18226 6256 1 18 . 1 1 62 62 HIS CA C 62 55.376 55.376 56.544 -1.168 18226 6257 1 18 . 1 1 62 62 HIS CB C 62 29.291 29.291 29.351 -0.060 18226 6258 1 18 . 1 1 62 62 HIS H H 62 8.729 8.729 8.420 0.309 18226 6259 1 18 . 1 1 63 63 HIS N N 63 120.370 120.370 122.727 -2.357 18226 6260 1 18 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.545 0.113 18226 6261 1 18 . 1 1 63 63 HIS C C 63 173.564 173.564 174.854 -1.290 18226 6262 1 18 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.135 0.473 18226 6263 1 18 . 1 1 63 63 HIS CB C 63 29.365 29.365 30.354 -0.989 18226 6264 1 18 . 1 1 63 63 HIS H H 63 8.619 8.619 8.650 -0.031 18226 6265 1 19 . 1 1 2 2 GLU N N 2 123.545 123.545 124.226 -0.681 18226 6266 1 19 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.278 0.108 18226 6267 1 19 . 1 1 2 2 GLU C C 2 175.742 175.742 175.740 0.002 18226 6268 1 19 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.593 -0.230 18226 6269 1 19 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.645 0.110 18226 6270 1 19 . 1 1 2 2 GLU H H 2 8.765 8.765 8.467 0.298 18226 6271 1 19 . 1 1 3 3 GLU N N 3 122.227 122.227 117.849 4.378 18226 6272 1 19 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.040 0.293 18226 6273 1 19 . 1 1 3 3 GLU C C 3 176.636 176.636 175.420 1.216 18226 6274 1 19 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.917 -0.429 18226 6275 1 19 . 1 1 3 3 GLU CB C 3 29.757 29.757 28.450 1.308 18226 6276 1 19 . 1 1 3 3 GLU H H 3 8.550 8.550 8.243 0.307 18226 6277 1 19 . 1 1 4 4 GLY N N 4 110.108 110.108 107.824 2.284 18226 6278 1 19 . 1 1 4 4 GLY C C 4 174.548 174.548 174.170 0.378 18226 6279 1 19 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.971 0.504 18226 6280 1 19 . 1 1 4 4 GLY H H 4 8.453 8.453 8.234 0.219 18226 6281 1 19 . 1 1 5 5 GLY N N 5 108.466 108.466 111.488 -3.022 18226 6282 1 19 . 1 1 5 5 GLY C C 5 173.790 173.790 174.102 -0.312 18226 6283 1 19 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.610 0.754 18226 6284 1 19 . 1 1 5 5 GLY H H 5 8.168 8.168 8.035 0.133 18226 6285 1 19 . 1 1 6 6 ASP N N 6 119.764 119.764 123.940 -4.176 18226 6286 1 19 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.669 -0.086 18226 6287 1 19 . 1 1 6 6 ASP C C 6 175.811 175.811 176.933 -1.122 18226 6288 1 19 . 1 1 6 6 ASP CA C 6 53.992 53.992 53.867 0.125 18226 6289 1 19 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.027 -0.770 18226 6290 1 19 . 1 1 6 6 ASP H H 6 8.187 8.187 8.215 -0.028 18226 6291 1 19 . 1 1 7 7 PHE N N 7 119.941 119.941 118.092 1.849 18226 6292 1 19 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.176 0.390 18226 6293 1 19 . 1 1 7 7 PHE C C 7 175.636 175.636 174.141 1.495 18226 6294 1 19 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.197 -0.126 18226 6295 1 19 . 1 1 7 7 PHE CB C 7 39.319 39.319 38.025 1.294 18226 6296 1 19 . 1 1 7 7 PHE H H 7 8.103 8.103 7.442 0.661 18226 6297 1 19 . 1 1 8 8 ASP N N 8 120.418 120.418 120.591 -0.173 18226 6298 1 19 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.703 -0.166 18226 6299 1 19 . 1 1 8 8 ASP C C 8 175.548 175.548 174.847 0.701 18226 6300 1 19 . 1 1 8 8 ASP CA C 8 54.373 54.373 53.788 0.585 18226 6301 1 19 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.001 -0.615 18226 6302 1 19 . 1 1 8 8 ASP H H 8 8.177 8.177 8.027 0.150 18226 6303 1 19 . 1 1 9 9 ASN N N 9 118.260 118.260 118.970 -0.710 18226 6304 1 19 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.759 -0.172 18226 6305 1 19 . 1 1 9 9 ASN C C 9 174.782 174.782 174.223 0.559 18226 6306 1 19 . 1 1 9 9 ASN CA C 9 53.397 53.397 52.611 0.786 18226 6307 1 19 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.010 -0.247 18226 6308 1 19 . 1 1 9 9 ASN H H 9 8.057 8.057 7.974 0.083 18226 6309 1 19 . 1 1 10 10 TYR N N 10 120.145 120.145 119.301 0.844 18226 6310 1 19 . 1 1 10 10 TYR HA H 10 4.439 4.439 3.770 0.669 18226 6311 1 19 . 1 1 10 10 TYR C C 10 175.520 175.520 174.686 0.834 18226 6312 1 19 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.342 -0.973 18226 6313 1 19 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.177 1.572 18226 6314 1 19 . 1 1 10 10 TYR H H 10 7.951 7.951 8.266 -0.315 18226 6315 1 19 . 1 1 11 11 TYR N N 11 121.223 121.223 113.554 7.669 18226 6316 1 19 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.081 0.418 18226 6317 1 19 . 1 1 11 11 TYR C C 11 175.974 175.974 175.713 0.261 18226 6318 1 19 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.394 -0.321 18226 6319 1 19 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.294 3.377 18226 6320 1 19 . 1 1 11 11 TYR H H 11 7.971 7.971 7.577 0.394 18226 6321 1 19 . 1 1 12 12 GLY N N 12 109.861 109.861 105.326 4.535 18226 6322 1 19 . 1 1 12 12 GLY C C 12 173.775 173.775 173.117 0.658 18226 6323 1 19 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.850 -0.470 18226 6324 1 19 . 1 1 12 12 GLY H H 12 7.769 7.769 8.555 -0.786 18226 6325 1 19 . 1 1 13 13 ALA N N 13 123.378 123.378 122.044 1.334 18226 6326 1 19 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.241 0.061 18226 6327 1 19 . 1 1 13 13 ALA C C 13 177.509 177.509 176.633 0.876 18226 6328 1 19 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.949 -0.322 18226 6329 1 19 . 1 1 13 13 ALA CB C 13 19.444 19.444 18.796 0.648 18226 6330 1 19 . 1 1 13 13 ALA H H 13 7.975 7.975 8.168 -0.193 18226 6331 1 19 . 1 1 14 14 ASP N N 14 118.494 118.494 116.965 1.529 18226 6332 1 19 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.221 0.413 18226 6333 1 19 . 1 1 14 14 ASP C C 14 175.747 175.747 175.572 0.175 18226 6334 1 19 . 1 1 14 14 ASP CA C 14 54.002 54.002 55.474 -1.472 18226 6335 1 19 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.178 -0.016 18226 6336 1 19 . 1 1 14 14 ASP H H 14 8.307 8.307 8.783 -0.476 18226 6337 1 19 . 1 1 15 15 ASN N N 15 118.834 118.834 117.903 0.931 18226 6338 1 19 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.752 -0.090 18226 6339 1 19 . 1 1 15 15 ASN C C 15 175.258 175.258 175.153 0.105 18226 6340 1 19 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.770 -0.255 18226 6341 1 19 . 1 1 15 15 ASN CB C 15 38.757 38.757 37.779 0.978 18226 6342 1 19 . 1 1 15 15 ASN H H 15 8.221 8.221 8.334 -0.113 18226 6343 1 19 . 1 1 16 16 GLN N N 16 120.413 120.413 120.966 -0.553 18226 6344 1 19 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.387 -0.032 18226 6345 1 19 . 1 1 16 16 GLN C C 16 176.096 176.096 176.236 -0.140 18226 6346 1 19 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.143 -0.903 18226 6347 1 19 . 1 1 16 16 GLN CB C 16 29.370 29.370 29.882 -0.512 18226 6348 1 19 . 1 1 16 16 GLN H H 16 8.295 8.295 8.114 0.181 18226 6349 1 19 . 1 1 17 17 SER N N 17 116.692 116.692 113.467 3.225 18226 6350 1 19 . 1 1 17 17 SER HA H 17 4.428 4.428 4.534 -0.106 18226 6351 1 19 . 1 1 17 17 SER C C 17 174.523 174.523 173.633 0.890 18226 6352 1 19 . 1 1 17 17 SER CA C 17 58.683 58.683 58.837 -0.155 18226 6353 1 19 . 1 1 17 17 SER CB C 17 63.794 63.794 63.137 0.657 18226 6354 1 19 . 1 1 17 17 SER H H 17 8.267 8.267 8.287 -0.020 18226 6355 1 19 . 1 1 18 18 GLU N N 18 122.142 122.142 121.220 0.922 18226 6356 1 19 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.387 -0.024 18226 6357 1 19 . 1 1 18 18 GLU C C 18 175.937 175.937 175.626 0.311 18226 6358 1 19 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.836 -1.531 18226 6359 1 19 . 1 1 18 18 GLU CB C 18 29.506 29.506 30.226 -0.720 18226 6360 1 19 . 1 1 18 18 GLU H H 18 8.330 8.330 8.410 -0.080 18226 6361 1 19 . 1 1 19 19 CYS N N 19 120.077 120.077 118.428 1.649 18226 6362 1 19 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.328 0.104 18226 6363 1 19 . 1 1 19 19 CYS C C 19 174.442 174.442 173.606 0.836 18226 6364 1 19 . 1 1 19 19 CYS CA C 19 58.613 58.613 58.691 -0.078 18226 6365 1 19 . 1 1 19 19 CYS CB C 19 27.999 27.999 27.491 0.508 18226 6366 1 19 . 1 1 19 19 CYS H H 19 8.276 8.276 7.676 0.600 18226 6367 1 19 . 1 1 20 20 GLU N N 20 123.369 123.369 126.950 -3.581 18226 6368 1 19 . 1 1 20 20 GLU HA H 20 4.303 4.303 3.518 0.785 18226 6369 1 19 . 1 1 20 20 GLU C C 20 175.858 175.858 175.854 0.004 18226 6370 1 19 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.495 -0.038 18226 6371 1 19 . 1 1 20 20 GLU CB C 20 29.150 29.150 27.514 1.636 18226 6372 1 19 . 1 1 20 20 GLU H H 20 8.400 8.400 8.877 -0.477 18226 6373 1 19 . 1 1 21 21 TYR N N 21 119.980 119.980 114.741 5.239 18226 6374 1 19 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.107 0.437 18226 6375 1 19 . 1 1 21 21 TYR C C 21 175.669 175.669 175.894 -0.225 18226 6376 1 19 . 1 1 21 21 TYR CA C 21 58.103 58.103 60.794 -2.691 18226 6377 1 19 . 1 1 21 21 TYR CB C 21 38.677 38.677 36.476 2.201 18226 6378 1 19 . 1 1 21 21 TYR H H 21 7.991 7.991 8.637 -0.646 18226 6379 1 19 . 1 1 22 22 THR N N 22 113.984 113.984 110.670 3.314 18226 6380 1 19 . 1 1 22 22 THR HA H 22 4.164 4.164 4.725 -0.561 18226 6381 1 19 . 1 1 22 22 THR C C 22 174.259 174.259 173.114 1.145 18226 6382 1 19 . 1 1 22 22 THR CA C 22 62.381 62.381 62.361 0.020 18226 6383 1 19 . 1 1 22 22 THR CB C 22 69.551 69.551 70.787 -1.236 18226 6384 1 19 . 1 1 22 22 THR H H 22 7.821 7.821 8.350 -0.529 18226 6385 1 19 . 1 1 23 23 ASP N N 23 121.930 121.930 121.235 0.695 18226 6386 1 19 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.774 -0.103 18226 6387 1 19 . 1 1 23 23 ASP C C 23 176.164 176.164 176.494 -0.330 18226 6388 1 19 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.527 -0.846 18226 6389 1 19 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.051 -1.445 18226 6390 1 19 . 1 1 23 23 ASP H H 23 8.106 8.106 8.267 -0.161 18226 6391 1 19 . 1 1 24 24 TRP N N 24 121.947 121.947 118.484 3.463 18226 6392 1 19 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.507 -0.025 18226 6393 1 19 . 1 1 24 24 TRP C C 24 176.496 176.496 175.553 0.943 18226 6394 1 19 . 1 1 24 24 TRP CA C 24 58.238 58.238 58.741 -0.503 18226 6395 1 19 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.314 0.875 18226 6396 1 19 . 1 1 24 24 TRP H H 24 7.991 7.991 8.539 -0.548 18226 6397 1 19 . 1 1 25 25 LYS N N 25 119.673 119.673 116.212 3.461 18226 6398 1 19 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.119 -0.130 18226 6399 1 19 . 1 1 25 25 LYS C C 25 176.770 176.770 175.222 1.548 18226 6400 1 19 . 1 1 25 25 LYS CA C 25 57.467 57.467 54.647 2.820 18226 6401 1 19 . 1 1 25 25 LYS CB C 25 31.953 31.953 30.652 1.301 18226 6402 1 19 . 1 1 25 25 LYS H H 25 7.588 7.588 7.251 0.337 18226 6403 1 19 . 1 1 26 26 SER N N 26 114.157 114.157 114.508 -0.351 18226 6404 1 19 . 1 1 26 26 SER HA H 26 4.462 4.462 4.048 0.414 18226 6405 1 19 . 1 1 26 26 SER C C 26 175.126 175.126 174.669 0.457 18226 6406 1 19 . 1 1 26 26 SER CA C 26 58.673 58.673 59.310 -0.637 18226 6407 1 19 . 1 1 26 26 SER CB C 26 63.801 63.801 61.180 2.621 18226 6408 1 19 . 1 1 26 26 SER H H 26 7.823 7.823 7.398 0.425 18226 6409 1 19 . 1 1 27 27 SER N N 27 117.353 117.353 115.198 2.155 18226 6410 1 19 . 1 1 27 27 SER HA H 27 4.288 4.288 4.544 -0.256 18226 6411 1 19 . 1 1 27 27 SER C C 27 175.598 175.598 174.162 1.436 18226 6412 1 19 . 1 1 27 27 SER CA C 27 60.216 60.216 57.927 2.289 18226 6413 1 19 . 1 1 27 27 SER CB C 27 63.684 63.684 64.004 -0.321 18226 6414 1 19 . 1 1 27 27 SER H H 27 8.178 8.178 8.446 -0.268 18226 6415 1 19 . 1 1 28 28 GLY N N 28 110.249 110.249 108.016 2.233 18226 6416 1 19 . 1 1 28 28 GLY C C 28 174.667 174.667 173.196 1.471 18226 6417 1 19 . 1 1 28 28 GLY CA C 28 46.276 46.276 46.076 0.200 18226 6418 1 19 . 1 1 28 28 GLY H H 28 8.359 8.359 8.384 -0.025 18226 6419 1 19 . 1 1 29 29 ALA N N 29 121.959 121.959 121.329 0.630 18226 6420 1 19 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.402 -0.074 18226 6421 1 19 . 1 1 29 29 ALA C C 29 177.873 177.873 176.665 1.208 18226 6422 1 19 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.206 1.055 18226 6423 1 19 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.325 0.312 18226 6424 1 19 . 1 1 29 29 ALA H H 29 7.931 7.931 8.061 -0.130 18226 6425 1 19 . 1 1 30 30 LEU N N 30 117.460 117.460 114.396 3.064 18226 6426 1 19 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.760 -0.552 18226 6427 1 19 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.422 1.970 18226 6428 1 19 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.559 0.046 18226 6429 1 19 . 1 1 30 30 LEU H H 30 7.924 7.924 7.886 0.038 18226 6430 1 19 . 1 1 31 31 ILE N N 31 117.379 117.379 122.803 -5.424 18226 6431 1 19 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.187 -0.264 18226 6432 1 19 . 1 1 31 31 ILE CA C 31 66.011 66.011 64.475 1.536 18226 6433 1 19 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.736 -0.513 18226 6434 1 19 . 1 1 31 31 ILE H H 31 8.100 8.100 8.090 0.010 18226 6435 1 19 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.617 -0.299 18226 6436 1 19 . 1 1 32 32 PRO C C 32 178.706 178.706 175.822 2.884 18226 6437 1 19 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.253 2.778 18226 6438 1 19 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.407 0.860 18226 6439 1 19 . 1 1 33 33 ALA N N 33 119.040 119.040 120.324 -1.284 18226 6440 1 19 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.577 -0.382 18226 6441 1 19 . 1 1 33 33 ALA C C 33 179.052 179.052 177.726 1.326 18226 6442 1 19 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.667 2.726 18226 6443 1 19 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.516 -1.985 18226 6444 1 19 . 1 1 33 33 ALA H H 33 7.462 7.462 7.635 -0.173 18226 6445 1 19 . 1 1 34 34 ILE N N 34 118.037 118.037 119.654 -1.617 18226 6446 1 19 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.069 -0.347 18226 6447 1 19 . 1 1 34 34 ILE C C 34 177.827 177.827 177.035 0.792 18226 6448 1 19 . 1 1 34 34 ILE CA C 34 65.023 65.023 63.458 1.565 18226 6449 1 19 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.304 -1.964 18226 6450 1 19 . 1 1 34 34 ILE H H 34 8.176 8.176 7.382 0.794 18226 6451 1 19 . 1 1 35 35 TYR N N 35 118.783 118.783 118.710 0.073 18226 6452 1 19 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.274 -0.129 18226 6453 1 19 . 1 1 35 35 TYR C C 35 178.062 178.062 177.061 1.001 18226 6454 1 19 . 1 1 35 35 TYR CA C 35 61.548 61.548 61.098 0.450 18226 6455 1 19 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.249 -0.507 18226 6456 1 19 . 1 1 35 35 TYR H H 35 8.306 8.306 7.449 0.857 18226 6457 1 19 . 1 1 36 36 MET N N 36 118.068 118.068 116.877 1.191 18226 6458 1 19 . 1 1 36 36 MET HA H 36 4.317 4.317 4.521 -0.204 18226 6459 1 19 . 1 1 36 36 MET C C 36 178.183 178.183 177.259 0.924 18226 6460 1 19 . 1 1 36 36 MET CA C 36 58.533 58.533 57.113 1.420 18226 6461 1 19 . 1 1 36 36 MET CB C 36 32.288 32.288 32.552 -0.264 18226 6462 1 19 . 1 1 36 36 MET H H 36 8.090 8.090 7.835 0.255 18226 6463 1 19 . 1 1 37 37 LEU N N 37 120.316 120.316 117.791 2.525 18226 6464 1 19 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.202 -0.087 18226 6465 1 19 . 1 1 37 37 LEU C C 37 178.353 178.353 178.470 -0.117 18226 6466 1 19 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.430 1.900 18226 6467 1 19 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.657 0.257 18226 6468 1 19 . 1 1 37 37 LEU H H 37 8.106 8.106 8.173 -0.067 18226 6469 1 19 . 1 1 38 38 VAL N N 38 118.385 118.385 117.721 0.664 18226 6470 1 19 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.059 -0.530 18226 6471 1 19 . 1 1 38 38 VAL C C 38 178.216 178.216 176.820 1.396 18226 6472 1 19 . 1 1 38 38 VAL CA C 38 67.042 67.042 64.512 2.530 18226 6473 1 19 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.577 -0.952 18226 6474 1 19 . 1 1 38 38 VAL H H 38 8.305 8.305 7.598 0.707 18226 6475 1 19 . 1 1 39 39 PHE N N 39 120.216 120.216 119.737 0.479 18226 6476 1 19 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.437 -0.176 18226 6477 1 19 . 1 1 39 39 PHE C C 39 178.597 178.597 174.933 3.664 18226 6478 1 19 . 1 1 39 39 PHE CA C 39 61.320 61.320 59.103 2.217 18226 6479 1 19 . 1 1 39 39 PHE CB C 39 38.889 38.889 38.254 0.635 18226 6480 1 19 . 1 1 39 39 PHE H H 39 8.196 8.196 7.648 0.548 18226 6481 1 19 . 1 1 40 40 LEU N N 40 120.772 120.772 118.706 2.066 18226 6482 1 19 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.419 -0.369 18226 6483 1 19 . 1 1 40 40 LEU C C 40 179.666 179.666 175.617 4.049 18226 6484 1 19 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.560 3.346 18226 6485 1 19 . 1 1 40 40 LEU CB C 40 42.340 42.340 43.171 -0.831 18226 6486 1 19 . 1 1 40 40 LEU H H 40 8.452 8.452 7.135 1.317 18226 6487 1 19 . 1 1 41 41 LEU N N 41 119.185 119.185 118.278 0.907 18226 6488 1 19 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.403 -0.304 18226 6489 1 19 . 1 1 41 41 LEU C C 41 178.878 178.878 178.118 0.760 18226 6490 1 19 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.636 1.750 18226 6491 1 19 . 1 1 41 41 LEU CB C 41 41.855 41.855 42.663 -0.808 18226 6492 1 19 . 1 1 41 41 LEU H H 41 8.435 8.435 7.427 1.008 18226 6493 1 19 . 1 1 42 42 GLY N N 42 105.718 105.718 105.554 0.164 18226 6494 1 19 . 1 1 42 42 GLY C C 42 174.908 174.908 173.979 0.929 18226 6495 1 19 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.072 0.570 18226 6496 1 19 . 1 1 42 42 GLY H H 42 8.208 8.208 7.731 0.477 18226 6497 1 19 . 1 1 43 43 THR N N 43 111.959 111.959 112.629 -0.670 18226 6498 1 19 . 1 1 43 43 THR HA H 43 4.348 4.348 4.285 0.063 18226 6499 1 19 . 1 1 43 43 THR C C 43 175.665 175.665 173.977 1.688 18226 6500 1 19 . 1 1 43 43 THR CA C 43 63.097 63.097 61.142 1.955 18226 6501 1 19 . 1 1 43 43 THR CB C 43 69.867 69.867 69.248 0.619 18226 6502 1 19 . 1 1 43 43 THR H H 43 7.789 7.789 7.172 0.617 18226 6503 1 19 . 1 1 44 44 THR N N 44 113.271 113.271 116.961 -3.690 18226 6504 1 19 . 1 1 44 44 THR HA H 44 4.308 4.308 3.988 0.320 18226 6505 1 19 . 1 1 44 44 THR C C 44 175.754 175.754 175.241 0.513 18226 6506 1 19 . 1 1 44 44 THR CA C 44 63.194 63.194 63.896 -0.702 18226 6507 1 19 . 1 1 44 44 THR CB C 44 70.171 70.171 67.288 2.883 18226 6508 1 19 . 1 1 44 44 THR H H 44 7.833 7.833 8.539 -0.706 18226 6509 1 19 . 1 1 45 45 GLY N N 45 109.879 109.879 109.521 0.358 18226 6510 1 19 . 1 1 45 45 GLY C C 45 175.221 175.221 174.897 0.324 18226 6511 1 19 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.440 1.099 18226 6512 1 19 . 1 1 45 45 GLY H H 45 8.259 8.259 8.030 0.229 18226 6513 1 19 . 1 1 46 46 ASN N N 46 117.998 117.998 122.312 -4.314 18226 6514 1 19 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.679 -0.067 18226 6515 1 19 . 1 1 46 46 ASN C C 46 176.215 176.215 175.387 0.828 18226 6516 1 19 . 1 1 46 46 ASN CA C 46 54.840 54.840 54.269 0.571 18226 6517 1 19 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.281 0.285 18226 6518 1 19 . 1 1 46 46 ASN H H 46 8.235 8.235 8.555 -0.320 18226 6519 1 19 . 1 1 47 47 GLY N N 47 106.990 106.990 105.428 1.562 18226 6520 1 19 . 1 1 47 47 GLY C C 47 174.659 174.659 174.155 0.504 18226 6521 1 19 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.524 1.455 18226 6522 1 19 . 1 1 47 47 GLY H H 47 8.425 8.425 8.240 0.185 18226 6523 1 19 . 1 1 48 48 LEU N N 48 120.699 120.699 119.893 0.806 18226 6524 1 19 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.709 -0.409 18226 6525 1 19 . 1 1 48 48 LEU C C 48 179.482 179.482 176.175 3.307 18226 6526 1 19 . 1 1 48 48 LEU CA C 48 57.445 57.445 56.050 1.395 18226 6527 1 19 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.556 0.010 18226 6528 1 19 . 1 1 48 48 LEU H H 48 7.956 7.956 8.077 -0.121 18226 6529 1 19 . 1 1 49 49 VAL N N 49 120.101 120.101 117.614 2.487 18226 6530 1 19 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.107 -0.228 18226 6531 1 19 . 1 1 49 49 VAL C C 49 177.535 177.535 175.761 1.774 18226 6532 1 19 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.536 2.326 18226 6533 1 19 . 1 1 49 49 VAL CB C 49 31.779 31.779 33.092 -1.313 18226 6534 1 19 . 1 1 49 49 VAL H H 49 7.919 7.919 7.578 0.341 18226 6535 1 19 . 1 1 50 50 LEU N N 50 119.268 119.268 121.169 -1.901 18226 6536 1 19 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.560 -0.517 18226 6537 1 19 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.372 1.473 18226 6538 1 19 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.227 -0.351 18226 6539 1 19 . 1 1 50 50 LEU H H 50 7.731 7.731 7.811 -0.080 18226 6540 1 19 . 1 1 51 51 TRP N N 51 118.033 118.033 121.129 -3.096 18226 6541 1 19 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.290 0.302 18226 6542 1 19 . 1 1 51 51 TRP C C 51 177.302 177.302 177.824 -0.522 18226 6543 1 19 . 1 1 51 51 TRP CA C 51 59.789 59.789 60.310 -0.521 18226 6544 1 19 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.056 1.151 18226 6545 1 19 . 1 1 51 51 TRP H H 51 8.070 8.070 8.475 -0.405 18226 6546 1 19 . 1 1 52 52 THR N N 52 113.014 113.014 116.191 -3.177 18226 6547 1 19 . 1 1 52 52 THR HA H 52 3.746 3.746 3.813 -0.067 18226 6548 1 19 . 1 1 52 52 THR C C 52 176.361 176.361 175.995 0.366 18226 6549 1 19 . 1 1 52 52 THR CA C 52 66.443 66.443 65.032 1.411 18226 6550 1 19 . 1 1 52 52 THR CB C 52 69.017 69.017 68.250 0.767 18226 6551 1 19 . 1 1 52 52 THR H H 52 8.101 8.101 7.599 0.502 18226 6552 1 19 . 1 1 53 53 VAL N N 53 120.231 120.231 120.632 -0.401 18226 6553 1 19 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.509 0.169 18226 6554 1 19 . 1 1 53 53 VAL C C 53 177.482 177.482 177.407 0.075 18226 6555 1 19 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.442 -0.284 18226 6556 1 19 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.631 0.136 18226 6557 1 19 . 1 1 53 53 VAL H H 53 7.905 7.905 8.333 -0.428 18226 6558 1 19 . 1 1 54 54 PHE N N 54 118.609 118.609 116.412 2.197 18226 6559 1 19 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.282 -0.049 18226 6560 1 19 . 1 1 54 54 PHE CA C 54 60.666 60.666 59.240 1.426 18226 6561 1 19 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.531 0.727 18226 6562 1 19 . 1 1 54 54 PHE H H 54 8.025 8.025 7.279 0.746 18226 6563 1 19 . 1 1 55 55 ARG N N 55 117.305 117.305 120.504 -3.199 18226 6564 1 19 . 1 1 55 55 ARG HA H 55 3.808 3.808 3.888 -0.080 18226 6565 1 19 . 1 1 55 55 ARG CA C 55 57.710 57.710 58.023 -0.313 18226 6566 1 19 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.443 -0.780 18226 6567 1 19 . 1 1 55 55 ARG H H 55 8.025 8.025 8.080 -0.055 18226 6568 1 19 . 1 1 56 56 LYS N N 56 118.321 118.321 119.099 -0.778 18226 6569 1 19 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.076 0.094 18226 6570 1 19 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.849 -1.409 18226 6571 1 19 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.628 1.301 18226 6572 1 19 . 1 1 56 56 LYS H H 56 7.717 7.717 8.299 -0.582 18226 6573 1 19 . 1 1 57 57 LYS N N 57 118.349 118.349 117.551 0.798 18226 6574 1 19 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.040 0.249 18226 6575 1 19 . 1 1 57 57 LYS C C 57 176.891 176.891 177.480 -0.589 18226 6576 1 19 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.662 -1.289 18226 6577 1 19 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.732 0.132 18226 6578 1 19 . 1 1 57 57 LYS H H 57 7.872 7.872 7.605 0.267 18226 6579 1 19 . 1 1 58 58 GLY N N 58 107.442 107.442 104.008 3.434 18226 6580 1 19 . 1 1 58 58 GLY C C 58 173.263 173.263 173.279 -0.016 18226 6581 1 19 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.677 0.880 18226 6582 1 19 . 1 1 58 58 GLY H H 58 8.060 8.060 7.530 0.530 18226 6583 1 19 . 1 1 59 59 HIS N N 59 116.928 116.928 117.578 -0.650 18226 6584 1 19 . 1 1 59 59 HIS HA H 59 4.668 4.668 3.930 0.738 18226 6585 1 19 . 1 1 59 59 HIS C C 59 173.935 173.935 173.812 0.123 18226 6586 1 19 . 1 1 59 59 HIS CA C 59 55.085 55.085 56.775 -1.690 18226 6587 1 19 . 1 1 59 59 HIS CB C 59 29.223 29.223 27.013 2.210 18226 6588 1 19 . 1 1 59 59 HIS H H 59 8.076 8.076 8.064 0.012 18226 6589 1 19 . 1 1 60 60 HIS N N 60 119.187 119.187 113.377 5.810 18226 6590 1 19 . 1 1 60 60 HIS HA H 60 4.671 4.671 3.836 0.835 18226 6591 1 19 . 1 1 60 60 HIS C C 60 173.926 173.926 173.692 0.234 18226 6592 1 19 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.900 -1.471 18226 6593 1 19 . 1 1 60 60 HIS CB C 60 29.157 29.157 27.258 1.899 18226 6594 1 19 . 1 1 60 60 HIS H H 60 8.547 8.547 7.767 0.780 18226 6595 1 19 . 1 1 61 61 HIS N N 61 120.017 120.017 113.251 6.766 18226 6596 1 19 . 1 1 61 61 HIS HA H 61 4.667 4.667 3.975 0.692 18226 6597 1 19 . 1 1 61 61 HIS C C 61 173.994 173.994 174.777 -0.783 18226 6598 1 19 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.122 -0.689 18226 6599 1 19 . 1 1 61 61 HIS CB C 61 29.201 29.201 28.744 0.457 18226 6600 1 19 . 1 1 61 61 HIS H H 61 8.662 8.662 7.397 1.265 18226 6601 1 19 . 1 1 62 62 HIS N N 62 120.463 120.463 121.709 -1.246 18226 6602 1 19 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.178 0.479 18226 6603 1 19 . 1 1 62 62 HIS C C 62 173.939 173.939 176.196 -2.257 18226 6604 1 19 . 1 1 62 62 HIS CA C 62 55.376 55.376 58.678 -3.302 18226 6605 1 19 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.296 -1.005 18226 6606 1 19 . 1 1 62 62 HIS H H 62 8.729 8.729 8.437 0.292 18226 6607 1 19 . 1 1 63 63 HIS N N 63 120.370 120.370 115.422 4.948 18226 6608 1 19 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.608 0.050 18226 6609 1 19 . 1 1 63 63 HIS C C 63 173.564 173.564 175.205 -1.641 18226 6610 1 19 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.149 0.459 18226 6611 1 19 . 1 1 63 63 HIS CB C 63 29.365 29.365 31.217 -1.852 18226 6612 1 19 . 1 1 63 63 HIS H H 63 8.619 8.619 8.138 0.481 18226 6613 1 20 . 1 1 2 2 GLU N N 2 123.545 123.545 120.957 2.588 18226 6614 1 20 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.338 0.048 18226 6615 1 20 . 1 1 2 2 GLU C C 2 175.742 175.742 176.682 -0.940 18226 6616 1 20 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.333 0.030 18226 6617 1 20 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.290 -0.534 18226 6618 1 20 . 1 1 2 2 GLU H H 2 8.765 8.765 8.400 0.365 18226 6619 1 20 . 1 1 3 3 GLU N N 3 122.227 122.227 120.381 1.846 18226 6620 1 20 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.476 -0.143 18226 6621 1 20 . 1 1 3 3 GLU C C 3 176.636 176.636 176.066 0.570 18226 6622 1 20 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.314 0.174 18226 6623 1 20 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.895 -0.138 18226 6624 1 20 . 1 1 3 3 GLU H H 3 8.550 8.550 8.295 0.255 18226 6625 1 20 . 1 1 4 4 GLY N N 4 110.108 110.108 109.325 0.783 18226 6626 1 20 . 1 1 4 4 GLY C C 4 174.548 174.548 174.326 0.222 18226 6627 1 20 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.854 0.621 18226 6628 1 20 . 1 1 4 4 GLY H H 4 8.453 8.453 8.440 0.013 18226 6629 1 20 . 1 1 5 5 GLY N N 5 108.466 108.466 108.953 -0.487 18226 6630 1 20 . 1 1 5 5 GLY C C 5 173.790 173.790 174.024 -0.234 18226 6631 1 20 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.656 0.708 18226 6632 1 20 . 1 1 5 5 GLY H H 5 8.168 8.168 7.954 0.214 18226 6633 1 20 . 1 1 6 6 ASP N N 6 119.764 119.764 119.962 -0.198 18226 6634 1 20 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.238 0.345 18226 6635 1 20 . 1 1 6 6 ASP C C 6 175.811 175.811 174.450 1.361 18226 6636 1 20 . 1 1 6 6 ASP CA C 6 53.992 53.992 55.231 -1.239 18226 6637 1 20 . 1 1 6 6 ASP CB C 6 40.257 40.257 40.216 0.041 18226 6638 1 20 . 1 1 6 6 ASP H H 6 8.187 8.187 8.667 -0.480 18226 6639 1 20 . 1 1 7 7 PHE N N 7 119.941 119.941 117.701 2.240 18226 6640 1 20 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.852 -0.286 18226 6641 1 20 . 1 1 7 7 PHE C C 7 175.636 175.636 174.122 1.514 18226 6642 1 20 . 1 1 7 7 PHE CA C 7 58.071 58.071 57.192 0.879 18226 6643 1 20 . 1 1 7 7 PHE CB C 7 39.319 39.319 39.820 -0.501 18226 6644 1 20 . 1 1 7 7 PHE H H 7 8.103 8.103 7.977 0.126 18226 6645 1 20 . 1 1 8 8 ASP N N 8 120.418 120.418 120.302 0.116 18226 6646 1 20 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.290 0.247 18226 6647 1 20 . 1 1 8 8 ASP C C 8 175.548 175.548 174.570 0.978 18226 6648 1 20 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.639 -0.265 18226 6649 1 20 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.283 -0.897 18226 6650 1 20 . 1 1 8 8 ASP H H 8 8.177 8.177 7.920 0.257 18226 6651 1 20 . 1 1 9 9 ASN N N 9 118.260 118.260 117.979 0.281 18226 6652 1 20 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.723 -0.136 18226 6653 1 20 . 1 1 9 9 ASN C C 9 174.782 174.782 174.588 0.194 18226 6654 1 20 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.968 -0.571 18226 6655 1 20 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.665 -0.903 18226 6656 1 20 . 1 1 9 9 ASN H H 9 8.057 8.057 8.132 -0.075 18226 6657 1 20 . 1 1 10 10 TYR N N 10 120.145 120.145 116.443 3.702 18226 6658 1 20 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.796 -0.357 18226 6659 1 20 . 1 1 10 10 TYR C C 10 175.520 175.520 175.484 0.036 18226 6660 1 20 . 1 1 10 10 TYR CA C 10 58.369 58.369 55.749 2.620 18226 6661 1 20 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.821 0.928 18226 6662 1 20 . 1 1 10 10 TYR H H 10 7.951 7.951 7.786 0.165 18226 6663 1 20 . 1 1 11 11 TYR N N 11 121.223 121.223 122.402 -1.179 18226 6664 1 20 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.489 0.010 18226 6665 1 20 . 1 1 11 11 TYR C C 11 175.974 175.974 175.564 0.410 18226 6666 1 20 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.033 0.040 18226 6667 1 20 . 1 1 11 11 TYR CB C 11 38.671 38.671 36.528 2.143 18226 6668 1 20 . 1 1 11 11 TYR H H 11 7.971 7.971 8.103 -0.132 18226 6669 1 20 . 1 1 12 12 GLY N N 12 109.861 109.861 108.629 1.232 18226 6670 1 20 . 1 1 12 12 GLY C C 12 173.775 173.775 173.119 0.656 18226 6671 1 20 . 1 1 12 12 GLY CA C 12 45.380 45.380 46.287 -0.907 18226 6672 1 20 . 1 1 12 12 GLY H H 12 7.769 7.769 7.966 -0.197 18226 6673 1 20 . 1 1 13 13 ALA N N 13 123.378 123.378 122.914 0.464 18226 6674 1 20 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.693 -0.391 18226 6675 1 20 . 1 1 13 13 ALA C C 13 177.509 177.509 175.804 1.705 18226 6676 1 20 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.625 0.002 18226 6677 1 20 . 1 1 13 13 ALA CB C 13 19.444 19.444 18.360 1.084 18226 6678 1 20 . 1 1 13 13 ALA H H 13 7.975 7.975 8.011 -0.036 18226 6679 1 20 . 1 1 14 14 ASP N N 14 118.494 118.494 121.485 -2.991 18226 6680 1 20 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.677 -0.043 18226 6681 1 20 . 1 1 14 14 ASP C C 14 175.747 175.747 176.412 -0.665 18226 6682 1 20 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.674 -0.672 18226 6683 1 20 . 1 1 14 14 ASP CB C 14 40.162 40.162 41.656 -1.494 18226 6684 1 20 . 1 1 14 14 ASP H H 14 8.307 8.307 8.667 -0.360 18226 6685 1 20 . 1 1 15 15 ASN N N 15 118.834 118.834 116.071 2.763 18226 6686 1 20 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.811 -0.149 18226 6687 1 20 . 1 1 15 15 ASN C C 15 175.258 175.258 175.011 0.247 18226 6688 1 20 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.491 0.024 18226 6689 1 20 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.641 0.116 18226 6690 1 20 . 1 1 15 15 ASN H H 15 8.221 8.221 8.033 0.188 18226 6691 1 20 . 1 1 16 16 GLN N N 16 120.413 120.413 119.194 1.219 18226 6692 1 20 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.236 0.119 18226 6693 1 20 . 1 1 16 16 GLN C C 16 176.096 176.096 175.761 0.335 18226 6694 1 20 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.149 -0.909 18226 6695 1 20 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.999 0.371 18226 6696 1 20 . 1 1 16 16 GLN H H 16 8.295 8.295 8.540 -0.245 18226 6697 1 20 . 1 1 17 17 SER N N 17 116.692 116.692 112.075 4.617 18226 6698 1 20 . 1 1 17 17 SER HA H 17 4.428 4.428 4.569 -0.141 18226 6699 1 20 . 1 1 17 17 SER C C 17 174.523 174.523 173.307 1.216 18226 6700 1 20 . 1 1 17 17 SER CA C 17 58.683 58.683 57.811 0.872 18226 6701 1 20 . 1 1 17 17 SER CB C 17 63.794 63.794 63.343 0.451 18226 6702 1 20 . 1 1 17 17 SER H H 17 8.267 8.267 7.679 0.588 18226 6703 1 20 . 1 1 18 18 GLU N N 18 122.142 122.142 122.860 -0.718 18226 6704 1 20 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.456 -0.093 18226 6705 1 20 . 1 1 18 18 GLU C C 18 175.937 175.937 176.847 -0.910 18226 6706 1 20 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.552 -0.247 18226 6707 1 20 . 1 1 18 18 GLU CB C 18 29.506 29.506 31.301 -1.795 18226 6708 1 20 . 1 1 18 18 GLU H H 18 8.330 8.330 8.521 -0.191 18226 6709 1 20 . 1 1 19 19 CYS N N 19 120.077 120.077 123.825 -3.748 18226 6710 1 20 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.215 0.217 18226 6711 1 20 . 1 1 19 19 CYS C C 19 174.442 174.442 174.614 -0.172 18226 6712 1 20 . 1 1 19 19 CYS CA C 19 58.613 58.613 60.368 -1.755 18226 6713 1 20 . 1 1 19 19 CYS CB C 19 27.999 27.999 27.301 0.698 18226 6714 1 20 . 1 1 19 19 CYS H H 19 8.276 8.276 9.272 -0.996 18226 6715 1 20 . 1 1 20 20 GLU N N 20 123.369 123.369 118.508 4.861 18226 6716 1 20 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.316 -0.013 18226 6717 1 20 . 1 1 20 20 GLU C C 20 175.858 175.858 175.960 -0.102 18226 6718 1 20 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.300 0.157 18226 6719 1 20 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.630 -0.480 18226 6720 1 20 . 1 1 20 20 GLU H H 20 8.400 8.400 7.940 0.460 18226 6721 1 20 . 1 1 21 21 TYR N N 21 119.980 119.980 120.278 -0.298 18226 6722 1 20 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.621 -0.077 18226 6723 1 20 . 1 1 21 21 TYR C C 21 175.669 175.669 175.749 -0.080 18226 6724 1 20 . 1 1 21 21 TYR CA C 21 58.103 58.103 57.439 0.664 18226 6725 1 20 . 1 1 21 21 TYR CB C 21 38.677 38.677 37.882 0.795 18226 6726 1 20 . 1 1 21 21 TYR H H 21 7.991 7.991 7.965 0.026 18226 6727 1 20 . 1 1 22 22 THR N N 22 113.984 113.984 110.204 3.780 18226 6728 1 20 . 1 1 22 22 THR HA H 22 4.164 4.164 4.232 -0.068 18226 6729 1 20 . 1 1 22 22 THR C C 22 174.259 174.259 173.438 0.821 18226 6730 1 20 . 1 1 22 22 THR CA C 22 62.381 62.381 63.483 -1.102 18226 6731 1 20 . 1 1 22 22 THR CB C 22 69.551 69.551 67.684 1.867 18226 6732 1 20 . 1 1 22 22 THR H H 22 7.821 7.821 8.239 -0.418 18226 6733 1 20 . 1 1 23 23 ASP N N 23 121.930 121.930 118.884 3.046 18226 6734 1 20 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.908 -0.237 18226 6735 1 20 . 1 1 23 23 ASP C C 23 176.164 176.164 176.686 -0.522 18226 6736 1 20 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.121 -0.440 18226 6737 1 20 . 1 1 23 23 ASP CB C 23 39.606 39.606 42.323 -2.717 18226 6738 1 20 . 1 1 23 23 ASP H H 23 8.106 8.106 8.654 -0.548 18226 6739 1 20 . 1 1 24 24 TRP N N 24 121.947 121.947 120.232 1.715 18226 6740 1 20 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.623 -0.141 18226 6741 1 20 . 1 1 24 24 TRP C C 24 176.496 176.496 175.827 0.669 18226 6742 1 20 . 1 1 24 24 TRP CA C 24 58.238 58.238 59.190 -0.952 18226 6743 1 20 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.575 0.615 18226 6744 1 20 . 1 1 24 24 TRP H H 24 7.991 7.991 8.428 -0.437 18226 6745 1 20 . 1 1 25 25 LYS N N 25 119.673 119.673 117.734 1.939 18226 6746 1 20 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.135 -0.146 18226 6747 1 20 . 1 1 25 25 LYS C C 25 176.770 176.770 176.340 0.430 18226 6748 1 20 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.794 1.673 18226 6749 1 20 . 1 1 25 25 LYS CB C 25 31.953 31.953 30.427 1.526 18226 6750 1 20 . 1 1 25 25 LYS H H 25 7.588 7.588 7.203 0.385 18226 6751 1 20 . 1 1 26 26 SER N N 26 114.157 114.157 116.192 -2.035 18226 6752 1 20 . 1 1 26 26 SER HA H 26 4.462 4.462 4.443 0.019 18226 6753 1 20 . 1 1 26 26 SER C C 26 175.126 175.126 175.735 -0.609 18226 6754 1 20 . 1 1 26 26 SER CA C 26 58.673 58.673 59.942 -1.269 18226 6755 1 20 . 1 1 26 26 SER CB C 26 63.801 63.801 63.909 -0.108 18226 6756 1 20 . 1 1 26 26 SER H H 26 7.823 7.823 7.271 0.552 18226 6757 1 20 . 1 1 27 27 SER N N 27 117.353 117.353 117.430 -0.077 18226 6758 1 20 . 1 1 27 27 SER HA H 27 4.288 4.288 4.321 -0.033 18226 6759 1 20 . 1 1 27 27 SER C C 27 175.598 175.598 175.897 -0.299 18226 6760 1 20 . 1 1 27 27 SER CA C 27 60.216 60.216 60.249 -0.033 18226 6761 1 20 . 1 1 27 27 SER CB C 27 63.684 63.684 62.970 0.714 18226 6762 1 20 . 1 1 27 27 SER H H 27 8.178 8.178 7.672 0.506 18226 6763 1 20 . 1 1 28 28 GLY N N 28 110.249 110.249 106.703 3.546 18226 6764 1 20 . 1 1 28 28 GLY C C 28 174.667 174.667 173.123 1.544 18226 6765 1 20 . 1 1 28 28 GLY CA C 28 46.276 46.276 44.886 1.390 18226 6766 1 20 . 1 1 28 28 GLY H H 28 8.359 8.359 8.407 -0.048 18226 6767 1 20 . 1 1 29 29 ALA N N 29 121.959 121.959 121.297 0.662 18226 6768 1 20 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.465 -0.137 18226 6769 1 20 . 1 1 29 29 ALA C C 29 177.873 177.873 176.610 1.263 18226 6770 1 20 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.654 0.607 18226 6771 1 20 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.584 0.053 18226 6772 1 20 . 1 1 29 29 ALA H H 29 7.931 7.931 7.699 0.232 18226 6773 1 20 . 1 1 30 30 LEU N N 30 117.460 117.460 117.777 -0.317 18226 6774 1 20 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.528 -0.320 18226 6775 1 20 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.750 1.642 18226 6776 1 20 . 1 1 30 30 LEU CB C 30 42.605 42.605 43.004 -0.399 18226 6777 1 20 . 1 1 30 30 LEU H H 30 7.924 7.924 7.733 0.191 18226 6778 1 20 . 1 1 31 31 ILE N N 31 117.379 117.379 119.336 -1.957 18226 6779 1 20 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.226 -0.303 18226 6780 1 20 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.676 2.335 18226 6781 1 20 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.853 -1.630 18226 6782 1 20 . 1 1 31 31 ILE H H 31 8.100 8.100 7.436 0.664 18226 6783 1 20 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.649 -0.331 18226 6784 1 20 . 1 1 32 32 PRO C C 32 178.706 178.706 176.874 1.832 18226 6785 1 20 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.926 2.105 18226 6786 1 20 . 1 1 32 32 PRO CB C 32 31.267 31.267 31.102 0.165 18226 6787 1 20 . 1 1 33 33 ALA N N 33 119.040 119.040 120.874 -1.834 18226 6788 1 20 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.373 -0.178 18226 6789 1 20 . 1 1 33 33 ALA C C 33 179.052 179.052 177.208 1.844 18226 6790 1 20 . 1 1 33 33 ALA CA C 33 55.393 55.393 53.200 2.193 18226 6791 1 20 . 1 1 33 33 ALA CB C 33 18.531 18.531 18.592 -0.061 18226 6792 1 20 . 1 1 33 33 ALA H H 33 7.462 7.462 8.385 -0.923 18226 6793 1 20 . 1 1 34 34 ILE N N 34 118.037 118.037 113.041 4.996 18226 6794 1 20 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.192 -0.470 18226 6795 1 20 . 1 1 34 34 ILE C C 34 177.827 177.827 177.121 0.706 18226 6796 1 20 . 1 1 34 34 ILE CA C 34 65.023 65.023 61.977 3.046 18226 6797 1 20 . 1 1 34 34 ILE CB C 34 37.341 37.341 38.829 -1.488 18226 6798 1 20 . 1 1 34 34 ILE H H 34 8.176 8.176 7.325 0.851 18226 6799 1 20 . 1 1 35 35 TYR N N 35 118.783 118.783 120.958 -2.175 18226 6800 1 20 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.146 -0.001 18226 6801 1 20 . 1 1 35 35 TYR C C 35 178.062 178.062 177.807 0.255 18226 6802 1 20 . 1 1 35 35 TYR CA C 35 61.548 61.548 63.280 -1.732 18226 6803 1 20 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.440 -0.698 18226 6804 1 20 . 1 1 35 35 TYR H H 35 8.306 8.306 7.688 0.618 18226 6805 1 20 . 1 1 36 36 MET N N 36 118.068 118.068 118.120 -0.052 18226 6806 1 20 . 1 1 36 36 MET HA H 36 4.317 4.317 4.242 0.075 18226 6807 1 20 . 1 1 36 36 MET C C 36 178.183 178.183 178.453 -0.270 18226 6808 1 20 . 1 1 36 36 MET CA C 36 58.533 58.533 58.560 -0.027 18226 6809 1 20 . 1 1 36 36 MET CB C 36 32.288 32.288 31.496 0.792 18226 6810 1 20 . 1 1 36 36 MET H H 36 8.090 8.090 7.863 0.227 18226 6811 1 20 . 1 1 37 37 LEU N N 37 120.316 120.316 117.854 2.462 18226 6812 1 20 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.108 0.007 18226 6813 1 20 . 1 1 37 37 LEU C C 37 178.353 178.353 178.343 0.010 18226 6814 1 20 . 1 1 37 37 LEU CA C 37 58.330 58.330 57.777 0.553 18226 6815 1 20 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.089 0.825 18226 6816 1 20 . 1 1 37 37 LEU H H 37 8.106 8.106 8.452 -0.346 18226 6817 1 20 . 1 1 38 38 VAL N N 38 118.385 118.385 117.137 1.248 18226 6818 1 20 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.811 -0.282 18226 6819 1 20 . 1 1 38 38 VAL C C 38 178.216 178.216 177.409 0.807 18226 6820 1 20 . 1 1 38 38 VAL CA C 38 67.042 67.042 64.971 2.071 18226 6821 1 20 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.373 -0.748 18226 6822 1 20 . 1 1 38 38 VAL H H 38 8.305 8.305 7.062 1.243 18226 6823 1 20 . 1 1 39 39 PHE N N 39 120.216 120.216 120.499 -0.283 18226 6824 1 20 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.190 0.071 18226 6825 1 20 . 1 1 39 39 PHE C C 39 178.597 178.597 175.849 2.748 18226 6826 1 20 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.524 -1.204 18226 6827 1 20 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.667 -0.778 18226 6828 1 20 . 1 1 39 39 PHE H H 39 8.196 8.196 8.487 -0.291 18226 6829 1 20 . 1 1 40 40 LEU N N 40 120.772 120.772 117.332 3.440 18226 6830 1 20 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.522 -0.472 18226 6831 1 20 . 1 1 40 40 LEU C C 40 179.666 179.666 175.627 4.039 18226 6832 1 20 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.315 3.591 18226 6833 1 20 . 1 1 40 40 LEU CB C 40 42.340 42.340 40.969 1.371 18226 6834 1 20 . 1 1 40 40 LEU H H 40 8.452 8.452 7.708 0.744 18226 6835 1 20 . 1 1 41 41 LEU N N 41 119.185 119.185 121.022 -1.837 18226 6836 1 20 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.526 -0.427 18226 6837 1 20 . 1 1 41 41 LEU C C 41 178.878 178.878 177.544 1.334 18226 6838 1 20 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.514 1.872 18226 6839 1 20 . 1 1 41 41 LEU CB C 41 41.855 41.855 44.369 -2.514 18226 6840 1 20 . 1 1 41 41 LEU H H 41 8.435 8.435 7.828 0.607 18226 6841 1 20 . 1 1 42 42 GLY N N 42 105.718 105.718 106.459 -0.741 18226 6842 1 20 . 1 1 42 42 GLY C C 42 174.908 174.908 173.887 1.021 18226 6843 1 20 . 1 1 42 42 GLY CA C 42 46.642 46.642 45.864 0.778 18226 6844 1 20 . 1 1 42 42 GLY H H 42 8.208 8.208 8.507 -0.299 18226 6845 1 20 . 1 1 43 43 THR N N 43 111.959 111.959 113.393 -1.434 18226 6846 1 20 . 1 1 43 43 THR HA H 43 4.348 4.348 4.368 -0.020 18226 6847 1 20 . 1 1 43 43 THR C C 43 175.665 175.665 175.076 0.589 18226 6848 1 20 . 1 1 43 43 THR CA C 43 63.097 63.097 61.822 1.275 18226 6849 1 20 . 1 1 43 43 THR CB C 43 69.867 69.867 69.638 0.229 18226 6850 1 20 . 1 1 43 43 THR H H 43 7.789 7.789 7.367 0.422 18226 6851 1 20 . 1 1 44 44 THR N N 44 113.271 113.271 117.088 -3.817 18226 6852 1 20 . 1 1 44 44 THR HA H 44 4.308 4.308 3.979 0.329 18226 6853 1 20 . 1 1 44 44 THR C C 44 175.754 175.754 175.395 0.359 18226 6854 1 20 . 1 1 44 44 THR CA C 44 63.194 63.194 63.647 -0.453 18226 6855 1 20 . 1 1 44 44 THR CB C 44 70.171 70.171 67.586 2.585 18226 6856 1 20 . 1 1 44 44 THR H H 44 7.833 7.833 8.309 -0.476 18226 6857 1 20 . 1 1 45 45 GLY N N 45 109.879 109.879 108.422 1.457 18226 6858 1 20 . 1 1 45 45 GLY C C 45 175.221 175.221 173.945 1.276 18226 6859 1 20 . 1 1 45 45 GLY CA C 45 46.539 46.539 44.917 1.622 18226 6860 1 20 . 1 1 45 45 GLY H H 45 8.259 8.259 8.052 0.207 18226 6861 1 20 . 1 1 46 46 ASN N N 46 117.998 117.998 117.280 0.718 18226 6862 1 20 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.856 -0.244 18226 6863 1 20 . 1 1 46 46 ASN C C 46 176.215 176.215 176.047 0.168 18226 6864 1 20 . 1 1 46 46 ASN CA C 46 54.840 54.840 53.841 0.999 18226 6865 1 20 . 1 1 46 46 ASN CB C 46 38.566 38.566 40.217 -1.651 18226 6866 1 20 . 1 1 46 46 ASN H H 46 8.235 8.235 8.201 0.034 18226 6867 1 20 . 1 1 47 47 GLY N N 47 106.990 106.990 107.295 -0.305 18226 6868 1 20 . 1 1 47 47 GLY C C 47 174.659 174.659 174.153 0.506 18226 6869 1 20 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.302 1.677 18226 6870 1 20 . 1 1 47 47 GLY H H 47 8.425 8.425 8.550 -0.125 18226 6871 1 20 . 1 1 48 48 LEU N N 48 120.699 120.699 118.856 1.843 18226 6872 1 20 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.917 -0.617 18226 6873 1 20 . 1 1 48 48 LEU C C 48 179.482 179.482 176.124 3.358 18226 6874 1 20 . 1 1 48 48 LEU CA C 48 57.445 57.445 54.068 3.377 18226 6875 1 20 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.943 -0.377 18226 6876 1 20 . 1 1 48 48 LEU H H 48 7.956 7.956 7.599 0.357 18226 6877 1 20 . 1 1 49 49 VAL N N 49 120.101 120.101 117.212 2.889 18226 6878 1 20 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.298 -0.419 18226 6879 1 20 . 1 1 49 49 VAL C C 49 177.535 177.535 176.711 0.824 18226 6880 1 20 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.154 1.708 18226 6881 1 20 . 1 1 49 49 VAL CB C 49 31.779 31.779 34.807 -3.028 18226 6882 1 20 . 1 1 49 49 VAL H H 49 7.919 7.919 7.706 0.213 18226 6883 1 20 . 1 1 50 50 LEU N N 50 119.268 119.268 117.898 1.370 18226 6884 1 20 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.682 -0.639 18226 6885 1 20 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.005 0.840 18226 6886 1 20 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.268 -0.391 18226 6887 1 20 . 1 1 50 50 LEU H H 50 7.731 7.731 7.434 0.297 18226 6888 1 20 . 1 1 51 51 TRP N N 51 118.033 118.033 122.294 -4.261 18226 6889 1 20 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.695 -0.103 18226 6890 1 20 . 1 1 51 51 TRP C C 51 177.302 177.302 176.749 0.553 18226 6891 1 20 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.814 -0.025 18226 6892 1 20 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.694 0.513 18226 6893 1 20 . 1 1 51 51 TRP H H 51 8.070 8.070 7.756 0.314 18226 6894 1 20 . 1 1 52 52 THR N N 52 113.014 113.014 113.634 -0.620 18226 6895 1 20 . 1 1 52 52 THR HA H 52 3.746 3.746 3.372 0.374 18226 6896 1 20 . 1 1 52 52 THR C C 52 176.361 176.361 175.949 0.412 18226 6897 1 20 . 1 1 52 52 THR CA C 52 66.443 66.443 64.644 1.799 18226 6898 1 20 . 1 1 52 52 THR CB C 52 69.017 69.017 68.693 0.324 18226 6899 1 20 . 1 1 52 52 THR H H 52 8.101 8.101 7.787 0.314 18226 6900 1 20 . 1 1 53 53 VAL N N 53 120.231 120.231 121.250 -1.019 18226 6901 1 20 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.647 0.031 18226 6902 1 20 . 1 1 53 53 VAL C C 53 177.482 177.482 176.606 0.876 18226 6903 1 20 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.282 -0.124 18226 6904 1 20 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.437 0.330 18226 6905 1 20 . 1 1 53 53 VAL H H 53 7.905 7.905 8.052 -0.147 18226 6906 1 20 . 1 1 54 54 PHE N N 54 118.609 118.609 116.430 2.179 18226 6907 1 20 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.581 -0.348 18226 6908 1 20 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.351 2.315 18226 6909 1 20 . 1 1 54 54 PHE CB C 54 39.258 39.258 39.481 -0.223 18226 6910 1 20 . 1 1 54 54 PHE H H 54 8.025 8.025 7.465 0.560 18226 6911 1 20 . 1 1 55 55 ARG N N 55 117.305 117.305 120.170 -2.865 18226 6912 1 20 . 1 1 55 55 ARG HA H 55 3.808 3.808 3.140 0.668 18226 6913 1 20 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.423 0.287 18226 6914 1 20 . 1 1 55 55 ARG CB C 55 29.663 29.663 29.416 0.247 18226 6915 1 20 . 1 1 55 55 ARG H H 55 8.025 8.025 7.349 0.676 18226 6916 1 20 . 1 1 56 56 LYS N N 56 118.321 118.321 119.185 -0.864 18226 6917 1 20 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.784 0.386 18226 6918 1 20 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.876 -1.436 18226 6919 1 20 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.343 1.586 18226 6920 1 20 . 1 1 56 56 LYS H H 56 7.717 7.717 8.079 -0.362 18226 6921 1 20 . 1 1 57 57 LYS N N 57 118.349 118.349 117.092 1.257 18226 6922 1 20 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.053 0.236 18226 6923 1 20 . 1 1 57 57 LYS C C 57 176.891 176.891 176.286 0.605 18226 6924 1 20 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.941 -1.568 18226 6925 1 20 . 1 1 57 57 LYS CB C 57 32.864 32.864 33.050 -0.186 18226 6926 1 20 . 1 1 57 57 LYS H H 57 7.872 7.872 7.723 0.149 18226 6927 1 20 . 1 1 58 58 GLY N N 58 107.442 107.442 104.896 2.546 18226 6928 1 20 . 1 1 58 58 GLY C C 58 173.263 173.263 173.008 0.255 18226 6929 1 20 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.415 1.142 18226 6930 1 20 . 1 1 58 58 GLY H H 58 8.060 8.060 7.919 0.141 18226 6931 1 20 . 1 1 59 59 HIS N N 59 116.928 116.928 118.294 -1.366 18226 6932 1 20 . 1 1 59 59 HIS HA H 59 4.668 4.668 3.882 0.786 18226 6933 1 20 . 1 1 59 59 HIS C C 59 173.935 173.935 174.495 -0.560 18226 6934 1 20 . 1 1 59 59 HIS CA C 59 55.085 55.085 56.572 -1.487 18226 6935 1 20 . 1 1 59 59 HIS CB C 59 29.223 29.223 27.179 2.044 18226 6936 1 20 . 1 1 59 59 HIS H H 59 8.076 8.076 7.833 0.243 18226 6937 1 20 . 1 1 60 60 HIS N N 60 119.187 119.187 116.802 2.385 18226 6938 1 20 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.103 0.568 18226 6939 1 20 . 1 1 60 60 HIS C C 60 173.926 173.926 173.762 0.164 18226 6940 1 20 . 1 1 60 60 HIS CA C 60 55.429 55.429 57.773 -2.345 18226 6941 1 20 . 1 1 60 60 HIS CB C 60 29.157 29.157 29.045 0.112 18226 6942 1 20 . 1 1 60 60 HIS H H 60 8.547 8.547 8.579 -0.032 18226 6943 1 20 . 1 1 61 61 HIS N N 61 120.017 120.017 116.011 4.006 18226 6944 1 20 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.451 0.216 18226 6945 1 20 . 1 1 61 61 HIS C C 61 173.994 173.994 172.886 1.108 18226 6946 1 20 . 1 1 61 61 HIS CA C 61 55.433 55.433 54.259 1.174 18226 6947 1 20 . 1 1 61 61 HIS CB C 61 29.201 29.201 32.564 -3.363 18226 6948 1 20 . 1 1 61 61 HIS H H 61 8.662 8.662 7.371 1.291 18226 6949 1 20 . 1 1 62 62 HIS N N 62 120.463 120.463 118.281 2.182 18226 6950 1 20 . 1 1 62 62 HIS HA H 62 4.657 4.657 5.111 -0.454 18226 6951 1 20 . 1 1 62 62 HIS C C 62 173.939 173.939 173.933 0.006 18226 6952 1 20 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.817 -0.441 18226 6953 1 20 . 1 1 62 62 HIS CB C 62 29.291 29.291 29.922 -0.631 18226 6954 1 20 . 1 1 62 62 HIS H H 62 8.729 8.729 8.328 0.401 18226 6955 1 20 . 1 1 63 63 HIS N N 63 120.370 120.370 125.031 -4.661 18226 6956 1 20 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.718 -0.060 18226 6957 1 20 . 1 1 63 63 HIS C C 63 173.564 173.564 174.095 -0.531 18226 6958 1 20 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.524 0.084 18226 6959 1 20 . 1 1 63 63 HIS CB C 63 29.365 29.365 31.453 -2.088 18226 6960 1 20 . 1 1 63 63 HIS H H 63 8.619 8.619 8.080 0.539 18226 6961 1 21 . 1 1 2 2 GLU N N 2 123.545 123.545 123.538 0.007 18226 6962 1 21 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.204 0.182 18226 6963 1 21 . 1 1 2 2 GLU C C 2 175.742 175.742 175.900 -0.158 18226 6964 1 21 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.939 -0.576 18226 6965 1 21 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.276 0.479 18226 6966 1 21 . 1 1 2 2 GLU H H 2 8.765 8.765 8.894 -0.129 18226 6967 1 21 . 1 1 3 3 GLU N N 3 122.227 122.227 121.505 0.722 18226 6968 1 21 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.280 0.053 18226 6969 1 21 . 1 1 3 3 GLU C C 3 176.636 176.636 177.377 -0.741 18226 6970 1 21 . 1 1 3 3 GLU CA C 3 56.488 56.488 57.125 -0.637 18226 6971 1 21 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.109 -0.352 18226 6972 1 21 . 1 1 3 3 GLU H H 3 8.550 8.550 8.724 -0.174 18226 6973 1 21 . 1 1 4 4 GLY N N 4 110.108 110.108 107.757 2.351 18226 6974 1 21 . 1 1 4 4 GLY C C 4 174.548 174.548 175.140 -0.592 18226 6975 1 21 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.602 0.873 18226 6976 1 21 . 1 1 4 4 GLY H H 4 8.453 8.453 8.089 0.364 18226 6977 1 21 . 1 1 5 5 GLY N N 5 108.466 108.466 110.922 -2.456 18226 6978 1 21 . 1 1 5 5 GLY C C 5 173.790 173.790 173.440 0.350 18226 6979 1 21 . 1 1 5 5 GLY CA C 5 45.364 45.364 46.330 -0.966 18226 6980 1 21 . 1 1 5 5 GLY H H 5 8.168 8.168 8.361 -0.193 18226 6981 1 21 . 1 1 6 6 ASP N N 6 119.764 119.764 122.163 -2.399 18226 6982 1 21 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.845 -0.262 18226 6983 1 21 . 1 1 6 6 ASP C C 6 175.811 175.811 175.856 -0.045 18226 6984 1 21 . 1 1 6 6 ASP CA C 6 53.992 53.992 53.639 0.353 18226 6985 1 21 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.345 -1.088 18226 6986 1 21 . 1 1 6 6 ASP H H 6 8.187 8.187 8.411 -0.224 18226 6987 1 21 . 1 1 7 7 PHE N N 7 119.941 119.941 119.695 0.246 18226 6988 1 21 . 1 1 7 7 PHE HA H 7 4.566 4.566 3.980 0.586 18226 6989 1 21 . 1 1 7 7 PHE C C 7 175.636 175.636 173.657 1.979 18226 6990 1 21 . 1 1 7 7 PHE CA C 7 58.071 58.071 59.309 -1.238 18226 6991 1 21 . 1 1 7 7 PHE CB C 7 39.319 39.319 37.963 1.356 18226 6992 1 21 . 1 1 7 7 PHE H H 7 8.103 8.103 7.837 0.266 18226 6993 1 21 . 1 1 8 8 ASP N N 8 120.418 120.418 117.560 2.858 18226 6994 1 21 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.753 -0.216 18226 6995 1 21 . 1 1 8 8 ASP C C 8 175.548 175.548 174.988 0.560 18226 6996 1 21 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.115 0.258 18226 6997 1 21 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.809 -1.423 18226 6998 1 21 . 1 1 8 8 ASP H H 8 8.177 8.177 8.544 -0.367 18226 6999 1 21 . 1 1 9 9 ASN N N 9 118.260 118.260 118.907 -0.647 18226 7000 1 21 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.748 -0.161 18226 7001 1 21 . 1 1 9 9 ASN C C 9 174.782 174.782 176.012 -1.230 18226 7002 1 21 . 1 1 9 9 ASN CA C 9 53.397 53.397 52.996 0.401 18226 7003 1 21 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.488 -0.726 18226 7004 1 21 . 1 1 9 9 ASN H H 9 8.057 8.057 7.890 0.167 18226 7005 1 21 . 1 1 10 10 TYR N N 10 120.145 120.145 120.086 0.059 18226 7006 1 21 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.262 0.177 18226 7007 1 21 . 1 1 10 10 TYR C C 10 175.520 175.520 176.363 -0.843 18226 7008 1 21 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.965 -1.597 18226 7009 1 21 . 1 1 10 10 TYR CB C 10 38.749 38.749 38.808 -0.059 18226 7010 1 21 . 1 1 10 10 TYR H H 10 7.951 7.951 8.299 -0.348 18226 7011 1 21 . 1 1 11 11 TYR N N 11 121.223 121.223 118.873 2.350 18226 7012 1 21 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.181 0.318 18226 7013 1 21 . 1 1 11 11 TYR C C 11 175.974 175.974 175.984 -0.010 18226 7014 1 21 . 1 1 11 11 TYR CA C 11 58.073 58.073 59.584 -1.512 18226 7015 1 21 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.889 2.782 18226 7016 1 21 . 1 1 11 11 TYR H H 11 7.971 7.971 8.041 -0.070 18226 7017 1 21 . 1 1 12 12 GLY N N 12 109.861 109.861 112.162 -2.301 18226 7018 1 21 . 1 1 12 12 GLY C C 12 173.775 173.775 173.022 0.753 18226 7019 1 21 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.337 0.043 18226 7020 1 21 . 1 1 12 12 GLY H H 12 7.769 7.769 8.214 -0.445 18226 7021 1 21 . 1 1 13 13 ALA N N 13 123.378 123.378 123.046 0.332 18226 7022 1 21 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.383 -0.081 18226 7023 1 21 . 1 1 13 13 ALA C C 13 177.509 177.509 174.936 2.573 18226 7024 1 21 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.634 -0.007 18226 7025 1 21 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.427 0.017 18226 7026 1 21 . 1 1 13 13 ALA H H 13 7.975 7.975 8.061 -0.086 18226 7027 1 21 . 1 1 14 14 ASP N N 14 118.494 118.494 122.406 -3.912 18226 7028 1 21 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.571 0.063 18226 7029 1 21 . 1 1 14 14 ASP C C 14 175.747 175.747 176.058 -0.311 18226 7030 1 21 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.364 -0.362 18226 7031 1 21 . 1 1 14 14 ASP CB C 14 40.162 40.162 41.719 -1.557 18226 7032 1 21 . 1 1 14 14 ASP H H 14 8.307 8.307 8.421 -0.114 18226 7033 1 21 . 1 1 15 15 ASN N N 15 118.834 118.834 117.535 1.299 18226 7034 1 21 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.545 0.117 18226 7035 1 21 . 1 1 15 15 ASN C C 15 175.258 175.258 175.580 -0.322 18226 7036 1 21 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.486 0.029 18226 7037 1 21 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.911 -0.154 18226 7038 1 21 . 1 1 15 15 ASN H H 15 8.221 8.221 7.828 0.393 18226 7039 1 21 . 1 1 16 16 GLN N N 16 120.413 120.413 117.356 3.057 18226 7040 1 21 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.082 0.273 18226 7041 1 21 . 1 1 16 16 GLN C C 16 176.096 176.096 175.174 0.922 18226 7042 1 21 . 1 1 16 16 GLN CA C 16 56.240 56.240 56.923 -0.683 18226 7043 1 21 . 1 1 16 16 GLN CB C 16 29.370 29.370 27.036 2.334 18226 7044 1 21 . 1 1 16 16 GLN H H 16 8.295 8.295 8.564 -0.269 18226 7045 1 21 . 1 1 17 17 SER N N 17 116.692 116.692 114.268 2.424 18226 7046 1 21 . 1 1 17 17 SER HA H 17 4.428 4.428 4.397 0.031 18226 7047 1 21 . 1 1 17 17 SER C C 17 174.523 174.523 173.502 1.021 18226 7048 1 21 . 1 1 17 17 SER CA C 17 58.683 58.683 58.227 0.456 18226 7049 1 21 . 1 1 17 17 SER CB C 17 63.794 63.794 63.835 -0.041 18226 7050 1 21 . 1 1 17 17 SER H H 17 8.267 8.267 7.884 0.383 18226 7051 1 21 . 1 1 18 18 GLU N N 18 122.142 122.142 119.799 2.343 18226 7052 1 21 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.066 0.297 18226 7053 1 21 . 1 1 18 18 GLU C C 18 175.937 175.937 175.815 0.122 18226 7054 1 21 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.695 -1.390 18226 7055 1 21 . 1 1 18 18 GLU CB C 18 29.506 29.506 28.534 0.972 18226 7056 1 21 . 1 1 18 18 GLU H H 18 8.330 8.330 8.593 -0.263 18226 7057 1 21 . 1 1 19 19 CYS N N 19 120.077 120.077 113.677 6.400 18226 7058 1 21 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.929 -0.497 18226 7059 1 21 . 1 1 19 19 CYS C C 19 174.442 174.442 174.934 -0.492 18226 7060 1 21 . 1 1 19 19 CYS CA C 19 58.613 58.613 58.018 0.595 18226 7061 1 21 . 1 1 19 19 CYS CB C 19 27.999 27.999 30.103 -2.104 18226 7062 1 21 . 1 1 19 19 CYS H H 19 8.276 8.276 7.869 0.407 18226 7063 1 21 . 1 1 20 20 GLU N N 20 123.369 123.369 122.303 1.066 18226 7064 1 21 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.028 0.275 18226 7065 1 21 . 1 1 20 20 GLU C C 20 175.858 175.858 175.151 0.707 18226 7066 1 21 . 1 1 20 20 GLU CA C 20 56.457 56.457 57.025 -0.568 18226 7067 1 21 . 1 1 20 20 GLU CB C 20 29.150 29.150 28.275 0.875 18226 7068 1 21 . 1 1 20 20 GLU H H 20 8.400 8.400 8.871 -0.471 18226 7069 1 21 . 1 1 21 21 TYR N N 21 119.980 119.980 120.904 -0.924 18226 7070 1 21 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.620 -0.076 18226 7071 1 21 . 1 1 21 21 TYR C C 21 175.669 175.669 175.405 0.264 18226 7072 1 21 . 1 1 21 21 TYR CA C 21 58.103 58.103 59.807 -1.704 18226 7073 1 21 . 1 1 21 21 TYR CB C 21 38.677 38.677 41.660 -2.983 18226 7074 1 21 . 1 1 21 21 TYR H H 21 7.991 7.991 8.000 -0.009 18226 7075 1 21 . 1 1 22 22 THR N N 22 113.984 113.984 111.890 2.094 18226 7076 1 21 . 1 1 22 22 THR HA H 22 4.164 4.164 4.661 -0.497 18226 7077 1 21 . 1 1 22 22 THR C C 22 174.259 174.259 173.175 1.084 18226 7078 1 21 . 1 1 22 22 THR CA C 22 62.381 62.381 63.073 -0.692 18226 7079 1 21 . 1 1 22 22 THR CB C 22 69.551 69.551 69.238 0.313 18226 7080 1 21 . 1 1 22 22 THR H H 22 7.821 7.821 8.320 -0.499 18226 7081 1 21 . 1 1 23 23 ASP N N 23 121.930 121.930 121.135 0.795 18226 7082 1 21 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.757 -0.086 18226 7083 1 21 . 1 1 23 23 ASP C C 23 176.164 176.164 176.187 -0.023 18226 7084 1 21 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.175 -0.494 18226 7085 1 21 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.602 -1.996 18226 7086 1 21 . 1 1 23 23 ASP H H 23 8.106 8.106 8.421 -0.315 18226 7087 1 21 . 1 1 24 24 TRP N N 24 121.947 121.947 117.246 4.701 18226 7088 1 21 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.865 -0.383 18226 7089 1 21 . 1 1 24 24 TRP C C 24 176.496 176.496 174.951 1.545 18226 7090 1 21 . 1 1 24 24 TRP CA C 24 58.238 58.238 56.383 1.855 18226 7091 1 21 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.213 -0.024 18226 7092 1 21 . 1 1 24 24 TRP H H 24 7.991 7.991 8.464 -0.473 18226 7093 1 21 . 1 1 25 25 LYS N N 25 119.673 119.673 115.908 3.765 18226 7094 1 21 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.344 -0.355 18226 7095 1 21 . 1 1 25 25 LYS C C 25 176.770 176.770 175.256 1.514 18226 7096 1 21 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.446 2.021 18226 7097 1 21 . 1 1 25 25 LYS CB C 25 31.953 31.953 32.028 -0.075 18226 7098 1 21 . 1 1 25 25 LYS H H 25 7.588 7.588 7.390 0.198 18226 7099 1 21 . 1 1 26 26 SER N N 26 114.157 114.157 114.624 -0.467 18226 7100 1 21 . 1 1 26 26 SER HA H 26 4.462 4.462 4.547 -0.085 18226 7101 1 21 . 1 1 26 26 SER C C 26 175.126 175.126 174.779 0.347 18226 7102 1 21 . 1 1 26 26 SER CA C 26 58.673 58.673 59.058 -0.385 18226 7103 1 21 . 1 1 26 26 SER CB C 26 63.801 63.801 63.614 0.187 18226 7104 1 21 . 1 1 26 26 SER H H 26 7.823 7.823 7.923 -0.100 18226 7105 1 21 . 1 1 27 27 SER N N 27 117.353 117.353 117.405 -0.052 18226 7106 1 21 . 1 1 27 27 SER HA H 27 4.288 4.288 4.526 -0.238 18226 7107 1 21 . 1 1 27 27 SER C C 27 175.598 175.598 174.676 0.922 18226 7108 1 21 . 1 1 27 27 SER CA C 27 60.216 60.216 58.780 1.436 18226 7109 1 21 . 1 1 27 27 SER CB C 27 63.684 63.684 63.036 0.647 18226 7110 1 21 . 1 1 27 27 SER H H 27 8.178 8.178 7.880 0.298 18226 7111 1 21 . 1 1 28 28 GLY N N 28 110.249 110.249 107.984 2.265 18226 7112 1 21 . 1 1 28 28 GLY C C 28 174.667 174.667 173.374 1.293 18226 7113 1 21 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.051 1.225 18226 7114 1 21 . 1 1 28 28 GLY H H 28 8.359 8.359 7.766 0.593 18226 7115 1 21 . 1 1 29 29 ALA N N 29 121.959 121.959 122.600 -0.641 18226 7116 1 21 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.595 -0.267 18226 7117 1 21 . 1 1 29 29 ALA C C 29 177.873 177.873 176.938 0.935 18226 7118 1 21 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.218 0.044 18226 7119 1 21 . 1 1 29 29 ALA CB C 29 19.637 19.637 20.105 -0.469 18226 7120 1 21 . 1 1 29 29 ALA H H 29 7.931 7.931 7.931 0.000 18226 7121 1 21 . 1 1 30 30 LEU N N 30 117.460 117.460 112.771 4.689 18226 7122 1 21 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.557 -0.349 18226 7123 1 21 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.761 1.631 18226 7124 1 21 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.830 -0.225 18226 7125 1 21 . 1 1 30 30 LEU H H 30 7.924 7.924 7.706 0.218 18226 7126 1 21 . 1 1 31 31 ILE N N 31 117.379 117.379 119.696 -2.317 18226 7127 1 21 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.397 -0.474 18226 7128 1 21 . 1 1 31 31 ILE CA C 31 66.011 66.011 62.081 3.930 18226 7129 1 21 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.284 -0.061 18226 7130 1 21 . 1 1 31 31 ILE H H 31 8.100 8.100 8.255 -0.155 18226 7131 1 21 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.611 -0.293 18226 7132 1 21 . 1 1 32 32 PRO C C 32 178.706 178.706 176.053 2.653 18226 7133 1 21 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.797 2.234 18226 7134 1 21 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.826 0.441 18226 7135 1 21 . 1 1 33 33 ALA N N 33 119.040 119.040 120.781 -1.741 18226 7136 1 21 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.412 -0.217 18226 7137 1 21 . 1 1 33 33 ALA C C 33 179.052 179.052 178.178 0.874 18226 7138 1 21 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.956 2.437 18226 7139 1 21 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.742 -1.211 18226 7140 1 21 . 1 1 33 33 ALA H H 33 7.462 7.462 8.039 -0.577 18226 7141 1 21 . 1 1 34 34 ILE N N 34 118.037 118.037 114.730 3.307 18226 7142 1 21 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.232 -0.510 18226 7143 1 21 . 1 1 34 34 ILE C C 34 177.827 177.827 176.933 0.894 18226 7144 1 21 . 1 1 34 34 ILE CA C 34 65.023 65.023 63.414 1.609 18226 7145 1 21 . 1 1 34 34 ILE CB C 34 37.341 37.341 38.834 -1.493 18226 7146 1 21 . 1 1 34 34 ILE H H 34 8.176 8.176 7.267 0.909 18226 7147 1 21 . 1 1 35 35 TYR N N 35 118.783 118.783 120.004 -1.221 18226 7148 1 21 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.502 -0.357 18226 7149 1 21 . 1 1 35 35 TYR C C 35 178.062 178.062 176.314 1.748 18226 7150 1 21 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.367 1.181 18226 7151 1 21 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.707 0.035 18226 7152 1 21 . 1 1 35 35 TYR H H 35 8.306 8.306 7.769 0.537 18226 7153 1 21 . 1 1 36 36 MET N N 36 118.068 118.068 115.358 2.710 18226 7154 1 21 . 1 1 36 36 MET HA H 36 4.317 4.317 4.650 -0.333 18226 7155 1 21 . 1 1 36 36 MET C C 36 178.183 178.183 177.146 1.037 18226 7156 1 21 . 1 1 36 36 MET CA C 36 58.533 58.533 56.215 2.318 18226 7157 1 21 . 1 1 36 36 MET CB C 36 32.288 32.288 32.577 -0.289 18226 7158 1 21 . 1 1 36 36 MET H H 36 8.090 8.090 7.939 0.151 18226 7159 1 21 . 1 1 37 37 LEU N N 37 120.316 120.316 120.412 -0.096 18226 7160 1 21 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.128 -0.013 18226 7161 1 21 . 1 1 37 37 LEU C C 37 178.353 178.353 177.359 0.994 18226 7162 1 21 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.778 1.552 18226 7163 1 21 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.085 0.829 18226 7164 1 21 . 1 1 37 37 LEU H H 37 8.106 8.106 8.119 -0.013 18226 7165 1 21 . 1 1 38 38 VAL N N 38 118.385 118.385 114.845 3.540 18226 7166 1 21 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.103 -0.574 18226 7167 1 21 . 1 1 38 38 VAL C C 38 178.216 178.216 177.376 0.840 18226 7168 1 21 . 1 1 38 38 VAL CA C 38 67.042 67.042 62.950 4.092 18226 7169 1 21 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.305 -0.680 18226 7170 1 21 . 1 1 38 38 VAL H H 38 8.305 8.305 7.251 1.054 18226 7171 1 21 . 1 1 39 39 PHE N N 39 120.216 120.216 121.283 -1.067 18226 7172 1 21 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.252 0.009 18226 7173 1 21 . 1 1 39 39 PHE C C 39 178.597 178.597 177.269 1.328 18226 7174 1 21 . 1 1 39 39 PHE CA C 39 61.320 61.320 63.262 -1.942 18226 7175 1 21 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.547 -0.658 18226 7176 1 21 . 1 1 39 39 PHE H H 39 8.196 8.196 7.951 0.245 18226 7177 1 21 . 1 1 40 40 LEU N N 40 120.772 120.772 119.472 1.300 18226 7178 1 21 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.396 -0.346 18226 7179 1 21 . 1 1 40 40 LEU C C 40 179.666 179.666 176.011 3.655 18226 7180 1 21 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.839 3.067 18226 7181 1 21 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.362 0.978 18226 7182 1 21 . 1 1 40 40 LEU H H 40 8.452 8.452 7.854 0.599 18226 7183 1 21 . 1 1 41 41 LEU N N 41 119.185 119.185 120.682 -1.497 18226 7184 1 21 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.480 -0.381 18226 7185 1 21 . 1 1 41 41 LEU C C 41 178.878 178.878 176.435 2.443 18226 7186 1 21 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.475 0.911 18226 7187 1 21 . 1 1 41 41 LEU CB C 41 41.855 41.855 42.808 -0.953 18226 7188 1 21 . 1 1 41 41 LEU H H 41 8.435 8.435 7.600 0.835 18226 7189 1 21 . 1 1 42 42 GLY N N 42 105.718 105.718 106.295 -0.577 18226 7190 1 21 . 1 1 42 42 GLY C C 42 174.908 174.908 174.851 0.057 18226 7191 1 21 . 1 1 42 42 GLY CA C 42 46.642 46.642 47.273 -0.631 18226 7192 1 21 . 1 1 42 42 GLY H H 42 8.208 8.208 8.212 -0.004 18226 7193 1 21 . 1 1 43 43 THR N N 43 111.959 111.959 114.680 -2.721 18226 7194 1 21 . 1 1 43 43 THR HA H 43 4.348 4.348 4.397 -0.049 18226 7195 1 21 . 1 1 43 43 THR C C 43 175.665 175.665 174.395 1.270 18226 7196 1 21 . 1 1 43 43 THR CA C 43 63.097 63.097 61.766 1.331 18226 7197 1 21 . 1 1 43 43 THR CB C 43 69.867 69.867 69.320 0.547 18226 7198 1 21 . 1 1 43 43 THR H H 43 7.789 7.789 7.303 0.486 18226 7199 1 21 . 1 1 44 44 THR N N 44 113.271 113.271 114.797 -1.526 18226 7200 1 21 . 1 1 44 44 THR HA H 44 4.308 4.308 3.971 0.337 18226 7201 1 21 . 1 1 44 44 THR C C 44 175.754 175.754 175.363 0.391 18226 7202 1 21 . 1 1 44 44 THR CA C 44 63.194 63.194 63.787 -0.593 18226 7203 1 21 . 1 1 44 44 THR CB C 44 70.171 70.171 67.779 2.392 18226 7204 1 21 . 1 1 44 44 THR H H 44 7.833 7.833 8.513 -0.680 18226 7205 1 21 . 1 1 45 45 GLY N N 45 109.879 109.879 109.733 0.146 18226 7206 1 21 . 1 1 45 45 GLY C C 45 175.221 175.221 174.449 0.772 18226 7207 1 21 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.049 1.490 18226 7208 1 21 . 1 1 45 45 GLY H H 45 8.259 8.259 7.812 0.447 18226 7209 1 21 . 1 1 46 46 ASN N N 46 117.998 117.998 116.569 1.429 18226 7210 1 21 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.920 -0.308 18226 7211 1 21 . 1 1 46 46 ASN C C 46 176.215 176.215 175.453 0.762 18226 7212 1 21 . 1 1 46 46 ASN CA C 46 54.840 54.840 53.058 1.782 18226 7213 1 21 . 1 1 46 46 ASN CB C 46 38.566 38.566 40.114 -1.548 18226 7214 1 21 . 1 1 46 46 ASN H H 46 8.235 8.235 8.409 -0.174 18226 7215 1 21 . 1 1 47 47 GLY N N 47 106.990 106.990 107.549 -0.559 18226 7216 1 21 . 1 1 47 47 GLY C C 47 174.659 174.659 174.322 0.337 18226 7217 1 21 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.551 1.428 18226 7218 1 21 . 1 1 47 47 GLY H H 47 8.425 8.425 7.755 0.670 18226 7219 1 21 . 1 1 48 48 LEU N N 48 120.699 120.699 117.370 3.329 18226 7220 1 21 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.796 -0.496 18226 7221 1 21 . 1 1 48 48 LEU C C 48 179.482 179.482 176.633 2.849 18226 7222 1 21 . 1 1 48 48 LEU CA C 48 57.445 57.445 54.557 2.888 18226 7223 1 21 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.256 -0.690 18226 7224 1 21 . 1 1 48 48 LEU H H 48 7.956 7.956 7.573 0.383 18226 7225 1 21 . 1 1 49 49 VAL N N 49 120.101 120.101 119.137 0.964 18226 7226 1 21 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.038 -0.159 18226 7227 1 21 . 1 1 49 49 VAL C C 49 177.535 177.535 177.011 0.524 18226 7228 1 21 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.743 1.119 18226 7229 1 21 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.681 -0.902 18226 7230 1 21 . 1 1 49 49 VAL H H 49 7.919 7.919 7.829 0.090 18226 7231 1 21 . 1 1 50 50 LEU N N 50 119.268 119.268 114.625 4.643 18226 7232 1 21 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.559 -0.516 18226 7233 1 21 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.869 0.976 18226 7234 1 21 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.306 -0.429 18226 7235 1 21 . 1 1 50 50 LEU H H 50 7.731 7.731 7.805 -0.074 18226 7236 1 21 . 1 1 51 51 TRP N N 51 118.033 118.033 121.247 -3.214 18226 7237 1 21 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.592 0.000 18226 7238 1 21 . 1 1 51 51 TRP C C 51 177.302 177.302 177.157 0.145 18226 7239 1 21 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.447 0.342 18226 7240 1 21 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.402 0.805 18226 7241 1 21 . 1 1 51 51 TRP H H 51 8.070 8.070 8.567 -0.497 18226 7242 1 21 . 1 1 52 52 THR N N 52 113.014 113.014 114.774 -1.760 18226 7243 1 21 . 1 1 52 52 THR HA H 52 3.746 3.746 4.141 -0.395 18226 7244 1 21 . 1 1 52 52 THR C C 52 176.361 176.361 175.138 1.223 18226 7245 1 21 . 1 1 52 52 THR CA C 52 66.443 66.443 64.407 2.035 18226 7246 1 21 . 1 1 52 52 THR CB C 52 69.017 69.017 68.284 0.733 18226 7247 1 21 . 1 1 52 52 THR H H 52 8.101 8.101 8.174 -0.073 18226 7248 1 21 . 1 1 53 53 VAL N N 53 120.231 120.231 120.251 -0.020 18226 7249 1 21 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.897 -0.219 18226 7250 1 21 . 1 1 53 53 VAL C C 53 177.482 177.482 175.807 1.675 18226 7251 1 21 . 1 1 53 53 VAL CA C 53 66.158 66.158 63.757 2.401 18226 7252 1 21 . 1 1 53 53 VAL CB C 53 31.767 31.767 30.738 1.029 18226 7253 1 21 . 1 1 53 53 VAL H H 53 7.905 7.905 7.530 0.375 18226 7254 1 21 . 1 1 54 54 PHE N N 54 118.609 118.609 117.745 0.864 18226 7255 1 21 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.606 -0.373 18226 7256 1 21 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.016 2.650 18226 7257 1 21 . 1 1 54 54 PHE CB C 54 39.258 39.258 41.010 -1.752 18226 7258 1 21 . 1 1 54 54 PHE H H 54 8.025 8.025 7.251 0.774 18226 7259 1 21 . 1 1 55 55 ARG N N 55 117.305 117.305 121.449 -4.144 18226 7260 1 21 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.190 -0.382 18226 7261 1 21 . 1 1 55 55 ARG CA C 55 57.710 57.710 58.224 -0.514 18226 7262 1 21 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.966 -1.303 18226 7263 1 21 . 1 1 55 55 ARG H H 55 8.025 8.025 7.204 0.821 18226 7264 1 21 . 1 1 56 56 LYS N N 56 118.321 118.321 118.918 -0.597 18226 7265 1 21 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.072 0.098 18226 7266 1 21 . 1 1 56 56 LYS CA C 56 57.440 57.440 59.264 -1.824 18226 7267 1 21 . 1 1 56 56 LYS CB C 56 32.929 32.929 32.133 0.796 18226 7268 1 21 . 1 1 56 56 LYS H H 56 7.717 7.717 7.527 0.190 18226 7269 1 21 . 1 1 57 57 LYS N N 57 118.349 118.349 116.422 1.927 18226 7270 1 21 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.035 0.254 18226 7271 1 21 . 1 1 57 57 LYS C C 57 176.891 176.891 177.649 -0.758 18226 7272 1 21 . 1 1 57 57 LYS CA C 57 56.373 56.373 58.064 -1.691 18226 7273 1 21 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.093 0.771 18226 7274 1 21 . 1 1 57 57 LYS H H 57 7.872 7.872 8.122 -0.250 18226 7275 1 21 . 1 1 58 58 GLY N N 58 107.442 107.442 105.268 2.174 18226 7276 1 21 . 1 1 58 58 GLY C C 58 173.263 173.263 175.232 -1.969 18226 7277 1 21 . 1 1 58 58 GLY CA C 58 45.557 45.557 45.273 0.284 18226 7278 1 21 . 1 1 58 58 GLY H H 58 8.060 8.060 7.762 0.298 18226 7279 1 21 . 1 1 59 59 HIS N N 59 116.928 116.928 118.617 -1.689 18226 7280 1 21 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.136 0.532 18226 7281 1 21 . 1 1 59 59 HIS C C 59 173.935 173.935 175.519 -1.584 18226 7282 1 21 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.485 -3.400 18226 7283 1 21 . 1 1 59 59 HIS CB C 59 29.223 29.223 28.778 0.445 18226 7284 1 21 . 1 1 59 59 HIS H H 59 8.076 8.076 8.974 -0.898 18226 7285 1 21 . 1 1 60 60 HIS N N 60 119.187 119.187 117.898 1.289 18226 7286 1 21 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.586 0.085 18226 7287 1 21 . 1 1 60 60 HIS C C 60 173.926 173.926 174.669 -0.743 18226 7288 1 21 . 1 1 60 60 HIS CA C 60 55.429 55.429 55.403 0.026 18226 7289 1 21 . 1 1 60 60 HIS CB C 60 29.157 29.157 29.971 -0.814 18226 7290 1 21 . 1 1 60 60 HIS H H 60 8.547 8.547 8.033 0.514 18226 7291 1 21 . 1 1 61 61 HIS N N 61 120.017 120.017 117.813 2.204 18226 7292 1 21 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.164 0.503 18226 7293 1 21 . 1 1 61 61 HIS C C 61 173.994 173.994 173.579 0.415 18226 7294 1 21 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.129 -0.696 18226 7295 1 21 . 1 1 61 61 HIS CB C 61 29.201 29.201 29.730 -0.529 18226 7296 1 21 . 1 1 61 61 HIS H H 61 8.662 8.662 7.959 0.703 18226 7297 1 21 . 1 1 62 62 HIS N N 62 120.463 120.463 125.652 -5.189 18226 7298 1 21 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.664 -0.007 18226 7299 1 21 . 1 1 62 62 HIS C C 62 173.939 173.939 175.328 -1.389 18226 7300 1 21 . 1 1 62 62 HIS CA C 62 55.376 55.376 56.048 -0.672 18226 7301 1 21 . 1 1 62 62 HIS CB C 62 29.291 29.291 28.141 1.150 18226 7302 1 21 . 1 1 62 62 HIS H H 62 8.729 8.729 8.516 0.213 18226 7303 1 21 . 1 1 63 63 HIS N N 63 120.370 120.370 123.125 -2.755 18226 7304 1 21 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.646 0.012 18226 7305 1 21 . 1 1 63 63 HIS C C 63 173.564 173.564 175.095 -1.531 18226 7306 1 21 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.682 -0.074 18226 7307 1 21 . 1 1 63 63 HIS CB C 63 29.365 29.365 28.782 0.584 18226 7308 1 21 . 1 1 63 63 HIS H H 63 8.619 8.619 8.146 0.473 18226 7309 1 22 . 1 1 2 2 GLU N N 2 123.545 123.545 118.768 4.777 18226 7310 1 22 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.557 -0.171 18226 7311 1 22 . 1 1 2 2 GLU C C 2 175.742 175.742 175.287 0.455 18226 7312 1 22 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.404 -0.042 18226 7313 1 22 . 1 1 2 2 GLU CB C 2 29.755 29.755 31.641 -1.886 18226 7314 1 22 . 1 1 2 2 GLU H H 2 8.765 8.765 9.056 -0.291 18226 7315 1 22 . 1 1 3 3 GLU N N 3 122.227 122.227 121.332 0.895 18226 7316 1 22 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.563 -0.230 18226 7317 1 22 . 1 1 3 3 GLU C C 3 176.636 176.636 176.488 0.148 18226 7318 1 22 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.426 0.062 18226 7319 1 22 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.032 -0.275 18226 7320 1 22 . 1 1 3 3 GLU H H 3 8.550 8.550 7.948 0.602 18226 7321 1 22 . 1 1 4 4 GLY N N 4 110.108 110.108 108.251 1.857 18226 7322 1 22 . 1 1 4 4 GLY C C 4 174.548 174.548 174.642 -0.094 18226 7323 1 22 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.439 0.036 18226 7324 1 22 . 1 1 4 4 GLY H H 4 8.453 8.453 8.572 -0.119 18226 7325 1 22 . 1 1 5 5 GLY N N 5 108.466 108.466 107.092 1.374 18226 7326 1 22 . 1 1 5 5 GLY C C 5 173.790 173.790 173.362 0.428 18226 7327 1 22 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.928 0.436 18226 7328 1 22 . 1 1 5 5 GLY H H 5 8.168 8.168 7.478 0.690 18226 7329 1 22 . 1 1 6 6 ASP N N 6 119.764 119.764 120.570 -0.806 18226 7330 1 22 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.734 -0.151 18226 7331 1 22 . 1 1 6 6 ASP C C 6 175.811 175.811 177.020 -1.209 18226 7332 1 22 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.614 -0.622 18226 7333 1 22 . 1 1 6 6 ASP CB C 6 40.257 40.257 42.025 -1.768 18226 7334 1 22 . 1 1 6 6 ASP H H 6 8.187 8.187 8.707 -0.520 18226 7335 1 22 . 1 1 7 7 PHE N N 7 119.941 119.941 118.436 1.505 18226 7336 1 22 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.239 0.327 18226 7337 1 22 . 1 1 7 7 PHE C C 7 175.636 175.636 174.005 1.631 18226 7338 1 22 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.597 -0.526 18226 7339 1 22 . 1 1 7 7 PHE CB C 7 39.319 39.319 39.032 0.287 18226 7340 1 22 . 1 1 7 7 PHE H H 7 8.103 8.103 8.632 -0.529 18226 7341 1 22 . 1 1 8 8 ASP N N 8 120.418 120.418 120.678 -0.260 18226 7342 1 22 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.706 -0.169 18226 7343 1 22 . 1 1 8 8 ASP C C 8 175.548 175.548 175.100 0.448 18226 7344 1 22 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.041 0.332 18226 7345 1 22 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.866 -0.480 18226 7346 1 22 . 1 1 8 8 ASP H H 8 8.177 8.177 8.338 -0.161 18226 7347 1 22 . 1 1 9 9 ASN N N 9 118.260 118.260 117.921 0.339 18226 7348 1 22 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.743 -0.156 18226 7349 1 22 . 1 1 9 9 ASN C C 9 174.782 174.782 174.391 0.391 18226 7350 1 22 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.361 0.035 18226 7351 1 22 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.956 -1.194 18226 7352 1 22 . 1 1 9 9 ASN H H 9 8.057 8.057 8.216 -0.159 18226 7353 1 22 . 1 1 10 10 TYR N N 10 120.145 120.145 118.593 1.552 18226 7354 1 22 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.129 0.310 18226 7355 1 22 . 1 1 10 10 TYR C C 10 175.520 175.520 173.532 1.988 18226 7356 1 22 . 1 1 10 10 TYR CA C 10 58.369 58.369 57.781 0.588 18226 7357 1 22 . 1 1 10 10 TYR CB C 10 38.749 38.749 39.351 -0.602 18226 7358 1 22 . 1 1 10 10 TYR H H 10 7.951 7.951 7.587 0.364 18226 7359 1 22 . 1 1 11 11 TYR N N 11 121.223 121.223 114.833 6.390 18226 7360 1 22 . 1 1 11 11 TYR HA H 11 4.499 4.499 3.784 0.715 18226 7361 1 22 . 1 1 11 11 TYR C C 11 175.974 175.974 174.757 1.217 18226 7362 1 22 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.919 0.154 18226 7363 1 22 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.688 2.983 18226 7364 1 22 . 1 1 11 11 TYR H H 11 7.971 7.971 7.839 0.132 18226 7365 1 22 . 1 1 12 12 GLY N N 12 109.861 109.861 104.648 5.213 18226 7366 1 22 . 1 1 12 12 GLY C C 12 173.775 173.775 174.573 -0.798 18226 7367 1 22 . 1 1 12 12 GLY CA C 12 45.380 45.380 46.385 -1.005 18226 7368 1 22 . 1 1 12 12 GLY H H 12 7.769 7.769 8.271 -0.502 18226 7369 1 22 . 1 1 13 13 ALA N N 13 123.378 123.378 121.592 1.786 18226 7370 1 22 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.432 -0.130 18226 7371 1 22 . 1 1 13 13 ALA C C 13 177.509 177.509 176.422 1.087 18226 7372 1 22 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.546 0.081 18226 7373 1 22 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.138 0.306 18226 7374 1 22 . 1 1 13 13 ALA H H 13 7.975 7.975 7.679 0.296 18226 7375 1 22 . 1 1 14 14 ASP N N 14 118.494 118.494 119.253 -0.759 18226 7376 1 22 . 1 1 14 14 ASP HA H 14 4.634 4.634 3.993 0.641 18226 7377 1 22 . 1 1 14 14 ASP C C 14 175.747 175.747 174.219 1.528 18226 7378 1 22 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.337 -0.335 18226 7379 1 22 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.713 -0.551 18226 7380 1 22 . 1 1 14 14 ASP H H 14 8.307 8.307 8.481 -0.174 18226 7381 1 22 . 1 1 15 15 ASN N N 15 118.834 118.834 114.884 3.950 18226 7382 1 22 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.455 0.207 18226 7383 1 22 . 1 1 15 15 ASN C C 15 175.258 175.258 174.294 0.964 18226 7384 1 22 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.340 0.175 18226 7385 1 22 . 1 1 15 15 ASN CB C 15 38.757 38.757 37.895 0.862 18226 7386 1 22 . 1 1 15 15 ASN H H 15 8.221 8.221 8.030 0.191 18226 7387 1 22 . 1 1 16 16 GLN N N 16 120.413 120.413 120.115 0.298 18226 7388 1 22 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.470 -0.115 18226 7389 1 22 . 1 1 16 16 GLN C C 16 176.096 176.096 175.213 0.883 18226 7390 1 22 . 1 1 16 16 GLN CA C 16 56.240 56.240 56.292 -0.052 18226 7391 1 22 . 1 1 16 16 GLN CB C 16 29.370 29.370 29.615 -0.245 18226 7392 1 22 . 1 1 16 16 GLN H H 16 8.295 8.295 8.608 -0.313 18226 7393 1 22 . 1 1 17 17 SER N N 17 116.692 116.692 114.101 2.591 18226 7394 1 22 . 1 1 17 17 SER HA H 17 4.428 4.428 4.589 -0.161 18226 7395 1 22 . 1 1 17 17 SER C C 17 174.523 174.523 174.869 -0.346 18226 7396 1 22 . 1 1 17 17 SER CA C 17 58.683 58.683 58.360 0.323 18226 7397 1 22 . 1 1 17 17 SER CB C 17 63.794 63.794 63.346 0.448 18226 7398 1 22 . 1 1 17 17 SER H H 17 8.267 8.267 7.955 0.312 18226 7399 1 22 . 1 1 18 18 GLU N N 18 122.142 122.142 122.632 -0.490 18226 7400 1 22 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.123 0.240 18226 7401 1 22 . 1 1 18 18 GLU C C 18 175.937 175.937 176.302 -0.365 18226 7402 1 22 . 1 1 18 18 GLU CA C 18 56.305 56.305 58.006 -1.701 18226 7403 1 22 . 1 1 18 18 GLU CB C 18 29.506 29.506 28.403 1.103 18226 7404 1 22 . 1 1 18 18 GLU H H 18 8.330 8.330 8.458 -0.128 18226 7405 1 22 . 1 1 19 19 CYS N N 19 120.077 120.077 117.622 2.455 18226 7406 1 22 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.544 -0.112 18226 7407 1 22 . 1 1 19 19 CYS C C 19 174.442 174.442 172.722 1.720 18226 7408 1 22 . 1 1 19 19 CYS CA C 19 58.613 58.613 59.229 -0.616 18226 7409 1 22 . 1 1 19 19 CYS CB C 19 27.999 27.999 28.095 -0.096 18226 7410 1 22 . 1 1 19 19 CYS H H 19 8.276 8.276 7.685 0.591 18226 7411 1 22 . 1 1 20 20 GLU N N 20 123.369 123.369 119.210 4.159 18226 7412 1 22 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.637 -0.334 18226 7413 1 22 . 1 1 20 20 GLU C C 20 175.858 175.858 176.027 -0.169 18226 7414 1 22 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.262 0.195 18226 7415 1 22 . 1 1 20 20 GLU CB C 20 29.150 29.150 30.850 -1.700 18226 7416 1 22 . 1 1 20 20 GLU H H 20 8.400 8.400 8.061 0.339 18226 7417 1 22 . 1 1 21 21 TYR N N 21 119.980 119.980 119.267 0.713 18226 7418 1 22 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.464 0.080 18226 7419 1 22 . 1 1 21 21 TYR C C 21 175.669 175.669 175.842 -0.173 18226 7420 1 22 . 1 1 21 21 TYR CA C 21 58.103 58.103 60.495 -2.393 18226 7421 1 22 . 1 1 21 21 TYR CB C 21 38.677 38.677 40.149 -1.472 18226 7422 1 22 . 1 1 21 21 TYR H H 21 7.991 7.991 8.298 -0.307 18226 7423 1 22 . 1 1 22 22 THR N N 22 113.984 113.984 107.091 6.893 18226 7424 1 22 . 1 1 22 22 THR HA H 22 4.164 4.164 4.655 -0.491 18226 7425 1 22 . 1 1 22 22 THR C C 22 174.259 174.259 174.232 0.027 18226 7426 1 22 . 1 1 22 22 THR CA C 22 62.381 62.381 61.947 0.434 18226 7427 1 22 . 1 1 22 22 THR CB C 22 69.551 69.551 69.796 -0.245 18226 7428 1 22 . 1 1 22 22 THR H H 22 7.821 7.821 8.039 -0.218 18226 7429 1 22 . 1 1 23 23 ASP N N 23 121.930 121.930 121.841 0.089 18226 7430 1 22 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.993 -0.322 18226 7431 1 22 . 1 1 23 23 ASP C C 23 176.164 176.164 176.128 0.036 18226 7432 1 22 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.118 -0.437 18226 7433 1 22 . 1 1 23 23 ASP CB C 23 39.606 39.606 42.230 -2.624 18226 7434 1 22 . 1 1 23 23 ASP H H 23 8.106 8.106 8.787 -0.681 18226 7435 1 22 . 1 1 24 24 TRP N N 24 121.947 121.947 117.307 4.640 18226 7436 1 22 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.744 -0.262 18226 7437 1 22 . 1 1 24 24 TRP C C 24 176.496 176.496 175.512 0.984 18226 7438 1 22 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.980 0.258 18226 7439 1 22 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.394 -0.205 18226 7440 1 22 . 1 1 24 24 TRP H H 24 7.991 7.991 8.365 -0.374 18226 7441 1 22 . 1 1 25 25 LYS N N 25 119.673 119.673 116.242 3.431 18226 7442 1 22 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.232 -0.243 18226 7443 1 22 . 1 1 25 25 LYS C C 25 176.770 176.770 174.801 1.969 18226 7444 1 22 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.234 2.233 18226 7445 1 22 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.391 0.562 18226 7446 1 22 . 1 1 25 25 LYS H H 25 7.588 7.588 7.446 0.142 18226 7447 1 22 . 1 1 26 26 SER N N 26 114.157 114.157 115.214 -1.057 18226 7448 1 22 . 1 1 26 26 SER HA H 26 4.462 4.462 4.466 -0.004 18226 7449 1 22 . 1 1 26 26 SER C C 26 175.126 175.126 175.046 0.080 18226 7450 1 22 . 1 1 26 26 SER CA C 26 58.673 58.673 57.955 0.718 18226 7451 1 22 . 1 1 26 26 SER CB C 26 63.801 63.801 63.823 -0.022 18226 7452 1 22 . 1 1 26 26 SER H H 26 7.823 7.823 7.574 0.249 18226 7453 1 22 . 1 1 27 27 SER N N 27 117.353 117.353 118.817 -1.464 18226 7454 1 22 . 1 1 27 27 SER HA H 27 4.288 4.288 4.410 -0.122 18226 7455 1 22 . 1 1 27 27 SER C C 27 175.598 175.598 174.601 0.997 18226 7456 1 22 . 1 1 27 27 SER CA C 27 60.216 60.216 57.911 2.305 18226 7457 1 22 . 1 1 27 27 SER CB C 27 63.684 63.684 61.882 1.802 18226 7458 1 22 . 1 1 27 27 SER H H 27 8.178 8.178 8.580 -0.402 18226 7459 1 22 . 1 1 28 28 GLY N N 28 110.249 110.249 107.800 2.449 18226 7460 1 22 . 1 1 28 28 GLY C C 28 174.667 174.667 172.836 1.831 18226 7461 1 22 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.801 0.475 18226 7462 1 22 . 1 1 28 28 GLY H H 28 8.359 8.359 8.178 0.181 18226 7463 1 22 . 1 1 29 29 ALA N N 29 121.959 121.959 121.913 0.046 18226 7464 1 22 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.670 -0.342 18226 7465 1 22 . 1 1 29 29 ALA C C 29 177.873 177.873 176.369 1.504 18226 7466 1 22 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.566 -0.305 18226 7467 1 22 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.921 -0.284 18226 7468 1 22 . 1 1 29 29 ALA H H 29 7.931 7.931 7.706 0.225 18226 7469 1 22 . 1 1 30 30 LEU N N 30 117.460 117.460 118.074 -0.614 18226 7470 1 22 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.400 -0.192 18226 7471 1 22 . 1 1 30 30 LEU CA C 30 57.392 57.392 56.627 0.765 18226 7472 1 22 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.778 -0.173 18226 7473 1 22 . 1 1 30 30 LEU H H 30 7.924 7.924 7.770 0.154 18226 7474 1 22 . 1 1 31 31 ILE N N 31 117.379 117.379 120.558 -3.179 18226 7475 1 22 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.293 -0.370 18226 7476 1 22 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.995 2.016 18226 7477 1 22 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.242 -1.019 18226 7478 1 22 . 1 1 31 31 ILE H H 31 8.100 8.100 8.416 -0.316 18226 7479 1 22 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.630 -0.312 18226 7480 1 22 . 1 1 32 32 PRO C C 32 178.706 178.706 175.804 2.902 18226 7481 1 22 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.217 2.814 18226 7482 1 22 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.302 0.965 18226 7483 1 22 . 1 1 33 33 ALA N N 33 119.040 119.040 121.403 -2.363 18226 7484 1 22 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.513 -0.318 18226 7485 1 22 . 1 1 33 33 ALA C C 33 179.052 179.052 177.024 2.028 18226 7486 1 22 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.417 2.976 18226 7487 1 22 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.299 -1.768 18226 7488 1 22 . 1 1 33 33 ALA H H 33 7.462 7.462 7.909 -0.447 18226 7489 1 22 . 1 1 34 34 ILE N N 34 118.037 118.037 112.771 5.266 18226 7490 1 22 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.293 -0.572 18226 7491 1 22 . 1 1 34 34 ILE C C 34 177.827 177.827 176.478 1.349 18226 7492 1 22 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.027 2.996 18226 7493 1 22 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.606 -2.265 18226 7494 1 22 . 1 1 34 34 ILE H H 34 8.176 8.176 7.447 0.729 18226 7495 1 22 . 1 1 35 35 TYR N N 35 118.783 118.783 121.169 -2.386 18226 7496 1 22 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.607 -0.462 18226 7497 1 22 . 1 1 35 35 TYR C C 35 178.062 178.062 175.904 2.158 18226 7498 1 22 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.423 1.125 18226 7499 1 22 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.789 -0.047 18226 7500 1 22 . 1 1 35 35 TYR H H 35 8.306 8.306 7.815 0.491 18226 7501 1 22 . 1 1 36 36 MET N N 36 118.068 118.068 116.445 1.623 18226 7502 1 22 . 1 1 36 36 MET HA H 36 4.317 4.317 4.646 -0.329 18226 7503 1 22 . 1 1 36 36 MET C C 36 178.183 178.183 177.707 0.476 18226 7504 1 22 . 1 1 36 36 MET CA C 36 58.533 58.533 56.220 2.313 18226 7505 1 22 . 1 1 36 36 MET CB C 36 32.288 32.288 32.658 -0.370 18226 7506 1 22 . 1 1 36 36 MET H H 36 8.090 8.090 8.035 0.055 18226 7507 1 22 . 1 1 37 37 LEU N N 37 120.316 120.316 120.760 -0.444 18226 7508 1 22 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.070 0.045 18226 7509 1 22 . 1 1 37 37 LEU C C 37 178.353 178.353 178.411 -0.058 18226 7510 1 22 . 1 1 37 37 LEU CA C 37 58.330 58.330 57.913 0.417 18226 7511 1 22 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.056 0.858 18226 7512 1 22 . 1 1 37 37 LEU H H 37 8.106 8.106 8.458 -0.352 18226 7513 1 22 . 1 1 38 38 VAL N N 38 118.385 118.385 116.902 1.483 18226 7514 1 22 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.790 -0.261 18226 7515 1 22 . 1 1 38 38 VAL C C 38 178.216 178.216 177.287 0.929 18226 7516 1 22 . 1 1 38 38 VAL CA C 38 67.042 67.042 65.506 1.536 18226 7517 1 22 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.344 -0.719 18226 7518 1 22 . 1 1 38 38 VAL H H 38 8.305 8.305 7.353 0.952 18226 7519 1 22 . 1 1 39 39 PHE N N 39 120.216 120.216 120.126 0.090 18226 7520 1 22 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.252 0.009 18226 7521 1 22 . 1 1 39 39 PHE C C 39 178.597 178.597 176.242 2.355 18226 7522 1 22 . 1 1 39 39 PHE CA C 39 61.320 61.320 61.332 -0.012 18226 7523 1 22 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.514 -0.625 18226 7524 1 22 . 1 1 39 39 PHE H H 39 8.196 8.196 8.104 0.092 18226 7525 1 22 . 1 1 40 40 LEU N N 40 120.772 120.772 118.542 2.230 18226 7526 1 22 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.525 -0.475 18226 7527 1 22 . 1 1 40 40 LEU C C 40 179.666 179.666 175.513 4.153 18226 7528 1 22 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.684 3.222 18226 7529 1 22 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.477 0.863 18226 7530 1 22 . 1 1 40 40 LEU H H 40 8.452 8.452 7.892 0.560 18226 7531 1 22 . 1 1 41 41 LEU N N 41 119.185 119.185 121.593 -2.408 18226 7532 1 22 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.538 -0.439 18226 7533 1 22 . 1 1 41 41 LEU C C 41 178.878 178.878 177.911 0.967 18226 7534 1 22 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.639 1.748 18226 7535 1 22 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.961 -2.106 18226 7536 1 22 . 1 1 41 41 LEU H H 41 8.435 8.435 7.826 0.609 18226 7537 1 22 . 1 1 42 42 GLY N N 42 105.718 105.718 107.645 -1.927 18226 7538 1 22 . 1 1 42 42 GLY C C 42 174.908 174.908 173.956 0.952 18226 7539 1 22 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.514 0.128 18226 7540 1 22 . 1 1 42 42 GLY H H 42 8.208 8.208 8.635 -0.427 18226 7541 1 22 . 1 1 43 43 THR N N 43 111.959 111.959 112.959 -1.000 18226 7542 1 22 . 1 1 43 43 THR HA H 43 4.348 4.348 4.326 0.022 18226 7543 1 22 . 1 1 43 43 THR C C 43 175.665 175.665 174.196 1.469 18226 7544 1 22 . 1 1 43 43 THR CA C 43 63.097 63.097 63.156 -0.059 18226 7545 1 22 . 1 1 43 43 THR CB C 43 69.867 69.867 69.085 0.782 18226 7546 1 22 . 1 1 43 43 THR H H 43 7.789 7.789 7.155 0.634 18226 7547 1 22 . 1 1 44 44 THR N N 44 113.271 113.271 116.239 -2.968 18226 7548 1 22 . 1 1 44 44 THR HA H 44 4.308 4.308 3.936 0.372 18226 7549 1 22 . 1 1 44 44 THR C C 44 175.754 175.754 175.847 -0.093 18226 7550 1 22 . 1 1 44 44 THR CA C 44 63.194 63.194 63.755 -0.561 18226 7551 1 22 . 1 1 44 44 THR CB C 44 70.171 70.171 67.837 2.334 18226 7552 1 22 . 1 1 44 44 THR H H 44 7.833 7.833 8.494 -0.661 18226 7553 1 22 . 1 1 45 45 GLY N N 45 109.879 109.879 109.879 0.000 18226 7554 1 22 . 1 1 45 45 GLY C C 45 175.221 175.221 174.006 1.215 18226 7555 1 22 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.719 0.820 18226 7556 1 22 . 1 1 45 45 GLY H H 45 8.259 8.259 8.101 0.158 18226 7557 1 22 . 1 1 46 46 ASN N N 46 117.998 117.998 118.400 -0.402 18226 7558 1 22 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.802 -0.190 18226 7559 1 22 . 1 1 46 46 ASN C C 46 176.215 176.215 176.486 -0.271 18226 7560 1 22 . 1 1 46 46 ASN CA C 46 54.840 54.840 53.607 1.233 18226 7561 1 22 . 1 1 46 46 ASN CB C 46 38.566 38.566 39.791 -1.225 18226 7562 1 22 . 1 1 46 46 ASN H H 46 8.235 8.235 8.292 -0.057 18226 7563 1 22 . 1 1 47 47 GLY N N 47 106.990 106.990 107.965 -0.975 18226 7564 1 22 . 1 1 47 47 GLY C C 47 174.659 174.659 174.410 0.249 18226 7565 1 22 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.760 1.219 18226 7566 1 22 . 1 1 47 47 GLY H H 47 8.425 8.425 8.170 0.255 18226 7567 1 22 . 1 1 48 48 LEU N N 48 120.699 120.699 119.754 0.945 18226 7568 1 22 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.767 -0.467 18226 7569 1 22 . 1 1 48 48 LEU C C 48 179.482 179.482 177.515 1.967 18226 7570 1 22 . 1 1 48 48 LEU CA C 48 57.445 57.445 54.483 2.962 18226 7571 1 22 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.395 -0.829 18226 7572 1 22 . 1 1 48 48 LEU H H 48 7.956 7.956 7.641 0.315 18226 7573 1 22 . 1 1 49 49 VAL N N 49 120.101 120.101 115.054 5.047 18226 7574 1 22 . 1 1 49 49 VAL HA H 49 3.879 3.879 3.578 0.301 18226 7575 1 22 . 1 1 49 49 VAL C C 49 177.535 177.535 177.391 0.144 18226 7576 1 22 . 1 1 49 49 VAL CA C 49 65.862 65.862 65.233 0.629 18226 7577 1 22 . 1 1 49 49 VAL CB C 49 31.779 31.779 30.460 1.319 18226 7578 1 22 . 1 1 49 49 VAL H H 49 7.919 7.919 8.301 -0.382 18226 7579 1 22 . 1 1 50 50 LEU N N 50 119.268 119.268 116.298 2.970 18226 7580 1 22 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.215 -0.172 18226 7581 1 22 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.746 0.099 18226 7582 1 22 . 1 1 50 50 LEU CB C 50 41.877 41.877 41.382 0.495 18226 7583 1 22 . 1 1 50 50 LEU H H 50 7.731 7.731 8.038 -0.307 18226 7584 1 22 . 1 1 51 51 TRP N N 51 118.033 118.033 121.571 -3.538 18226 7585 1 22 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.381 0.211 18226 7586 1 22 . 1 1 51 51 TRP C C 51 177.302 177.302 178.091 -0.789 18226 7587 1 22 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.845 -0.056 18226 7588 1 22 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.800 0.407 18226 7589 1 22 . 1 1 51 51 TRP H H 51 8.070 8.070 7.953 0.117 18226 7590 1 22 . 1 1 52 52 THR N N 52 113.014 113.014 113.548 -0.534 18226 7591 1 22 . 1 1 52 52 THR HA H 52 3.746 3.746 4.016 -0.270 18226 7592 1 22 . 1 1 52 52 THR C C 52 176.361 176.361 175.874 0.487 18226 7593 1 22 . 1 1 52 52 THR CA C 52 66.443 66.443 65.604 0.839 18226 7594 1 22 . 1 1 52 52 THR CB C 52 69.017 69.017 68.130 0.887 18226 7595 1 22 . 1 1 52 52 THR H H 52 8.101 8.101 8.084 0.017 18226 7596 1 22 . 1 1 53 53 VAL N N 53 120.231 120.231 118.300 1.931 18226 7597 1 22 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.800 -0.122 18226 7598 1 22 . 1 1 53 53 VAL C C 53 177.482 177.482 176.444 1.038 18226 7599 1 22 . 1 1 53 53 VAL CA C 53 66.158 66.158 64.685 1.473 18226 7600 1 22 . 1 1 53 53 VAL CB C 53 31.767 31.767 32.106 -0.339 18226 7601 1 22 . 1 1 53 53 VAL H H 53 7.905 7.905 7.281 0.624 18226 7602 1 22 . 1 1 54 54 PHE N N 54 118.609 118.609 116.098 2.511 18226 7603 1 22 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.871 -0.638 18226 7604 1 22 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.011 2.655 18226 7605 1 22 . 1 1 54 54 PHE CB C 54 39.258 39.258 40.016 -0.758 18226 7606 1 22 . 1 1 54 54 PHE H H 54 8.025 8.025 8.365 -0.340 18226 7607 1 22 . 1 1 55 55 ARG N N 55 117.305 117.305 119.699 -2.394 18226 7608 1 22 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.118 -0.310 18226 7609 1 22 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.821 -0.111 18226 7610 1 22 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.183 -1.520 18226 7611 1 22 . 1 1 55 55 ARG H H 55 8.025 8.025 8.585 -0.560 18226 7612 1 22 . 1 1 56 56 LYS N N 56 118.321 118.321 118.208 0.113 18226 7613 1 22 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.152 0.018 18226 7614 1 22 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.312 -0.872 18226 7615 1 22 . 1 1 56 56 LYS CB C 56 32.929 32.929 32.097 0.832 18226 7616 1 22 . 1 1 56 56 LYS H H 56 7.717 7.717 8.148 -0.431 18226 7617 1 22 . 1 1 57 57 LYS N N 57 118.349 118.349 119.484 -1.135 18226 7618 1 22 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.243 0.046 18226 7619 1 22 . 1 1 57 57 LYS C C 57 176.891 176.891 176.088 0.803 18226 7620 1 22 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.326 -0.953 18226 7621 1 22 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.390 0.474 18226 7622 1 22 . 1 1 57 57 LYS H H 57 7.872 7.872 8.218 -0.346 18226 7623 1 22 . 1 1 58 58 GLY N N 58 107.442 107.442 105.801 1.641 18226 7624 1 22 . 1 1 58 58 GLY C C 58 173.263 173.263 174.587 -1.324 18226 7625 1 22 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.849 0.708 18226 7626 1 22 . 1 1 58 58 GLY H H 58 8.060 8.060 7.474 0.586 18226 7627 1 22 . 1 1 59 59 HIS N N 59 116.928 116.928 122.608 -5.680 18226 7628 1 22 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.196 0.472 18226 7629 1 22 . 1 1 59 59 HIS C C 59 173.935 173.935 175.127 -1.192 18226 7630 1 22 . 1 1 59 59 HIS CA C 59 55.085 55.085 59.362 -4.277 18226 7631 1 22 . 1 1 59 59 HIS CB C 59 29.223 29.223 30.292 -1.069 18226 7632 1 22 . 1 1 59 59 HIS H H 59 8.076 8.076 8.866 -0.790 18226 7633 1 22 . 1 1 60 60 HIS N N 60 119.187 119.187 114.365 4.822 18226 7634 1 22 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.628 0.043 18226 7635 1 22 . 1 1 60 60 HIS C C 60 173.926 173.926 173.890 0.036 18226 7636 1 22 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.807 -1.378 18226 7637 1 22 . 1 1 60 60 HIS CB C 60 29.157 29.157 32.046 -2.889 18226 7638 1 22 . 1 1 60 60 HIS H H 60 8.547 8.547 8.149 0.398 18226 7639 1 22 . 1 1 61 61 HIS N N 61 120.017 120.017 118.484 1.533 18226 7640 1 22 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.595 0.072 18226 7641 1 22 . 1 1 61 61 HIS C C 61 173.994 173.994 172.838 1.156 18226 7642 1 22 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.096 -0.663 18226 7643 1 22 . 1 1 61 61 HIS CB C 61 29.201 29.201 29.832 -0.631 18226 7644 1 22 . 1 1 61 61 HIS H H 61 8.662 8.662 7.941 0.721 18226 7645 1 22 . 1 1 62 62 HIS N N 62 120.463 120.463 125.676 -5.213 18226 7646 1 22 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.678 -0.021 18226 7647 1 22 . 1 1 62 62 HIS C C 62 173.939 173.939 174.026 -0.087 18226 7648 1 22 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.118 0.258 18226 7649 1 22 . 1 1 62 62 HIS CB C 62 29.291 29.291 32.129 -2.838 18226 7650 1 22 . 1 1 62 62 HIS H H 62 8.729 8.729 8.677 0.052 18226 7651 1 22 . 1 1 63 63 HIS N N 63 120.370 120.370 118.200 2.170 18226 7652 1 22 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.740 -0.082 18226 7653 1 22 . 1 1 63 63 HIS C C 63 173.564 173.564 174.199 -0.635 18226 7654 1 22 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.533 0.075 18226 7655 1 22 . 1 1 63 63 HIS CB C 63 29.365 29.365 29.852 -0.487 18226 7656 1 22 . 1 1 63 63 HIS H H 63 8.619 8.619 8.472 0.147 18226 7657 1 23 . 1 1 2 2 GLU N N 2 123.545 123.545 120.193 3.352 18226 7658 1 23 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.493 -0.107 18226 7659 1 23 . 1 1 2 2 GLU C C 2 175.742 175.742 175.527 0.215 18226 7660 1 23 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.142 0.221 18226 7661 1 23 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.490 0.265 18226 7662 1 23 . 1 1 2 2 GLU H H 2 8.765 8.765 8.509 0.256 18226 7663 1 23 . 1 1 3 3 GLU N N 3 122.227 122.227 121.647 0.580 18226 7664 1 23 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.393 -0.060 18226 7665 1 23 . 1 1 3 3 GLU C C 3 176.636 176.636 176.866 -0.230 18226 7666 1 23 . 1 1 3 3 GLU CA C 3 56.488 56.488 55.916 0.572 18226 7667 1 23 . 1 1 3 3 GLU CB C 3 29.757 29.757 28.241 1.516 18226 7668 1 23 . 1 1 3 3 GLU H H 3 8.550 8.550 8.581 -0.031 18226 7669 1 23 . 1 1 4 4 GLY N N 4 110.108 110.108 111.878 -1.770 18226 7670 1 23 . 1 1 4 4 GLY C C 4 174.548 174.548 174.678 -0.130 18226 7671 1 23 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.506 0.969 18226 7672 1 23 . 1 1 4 4 GLY H H 4 8.453 8.453 8.365 0.088 18226 7673 1 23 . 1 1 5 5 GLY N N 5 108.466 108.466 106.466 2.000 18226 7674 1 23 . 1 1 5 5 GLY C C 5 173.790 173.790 173.822 -0.032 18226 7675 1 23 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.561 0.803 18226 7676 1 23 . 1 1 5 5 GLY H H 5 8.168 8.168 7.660 0.508 18226 7677 1 23 . 1 1 6 6 ASP N N 6 119.764 119.764 117.544 2.220 18226 7678 1 23 . 1 1 6 6 ASP HA H 6 4.583 4.583 3.825 0.758 18226 7679 1 23 . 1 1 6 6 ASP C C 6 175.811 175.811 174.669 1.142 18226 7680 1 23 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.266 -0.274 18226 7681 1 23 . 1 1 6 6 ASP CB C 6 40.257 40.257 39.700 0.557 18226 7682 1 23 . 1 1 6 6 ASP H H 6 8.187 8.187 8.314 -0.127 18226 7683 1 23 . 1 1 7 7 PHE N N 7 119.941 119.941 112.912 7.029 18226 7684 1 23 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.169 0.397 18226 7685 1 23 . 1 1 7 7 PHE C C 7 175.636 175.636 173.690 1.946 18226 7686 1 23 . 1 1 7 7 PHE CA C 7 58.071 58.071 57.686 0.385 18226 7687 1 23 . 1 1 7 7 PHE CB C 7 39.319 39.319 37.065 2.254 18226 7688 1 23 . 1 1 7 7 PHE H H 7 8.103 8.103 7.737 0.366 18226 7689 1 23 . 1 1 8 8 ASP N N 8 120.418 120.418 118.661 1.757 18226 7690 1 23 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.729 -0.192 18226 7691 1 23 . 1 1 8 8 ASP C C 8 175.548 175.548 174.847 0.701 18226 7692 1 23 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.037 0.336 18226 7693 1 23 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.571 -1.185 18226 7694 1 23 . 1 1 8 8 ASP H H 8 8.177 8.177 8.176 0.001 18226 7695 1 23 . 1 1 9 9 ASN N N 9 118.260 118.260 117.940 0.320 18226 7696 1 23 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.656 -0.069 18226 7697 1 23 . 1 1 9 9 ASN C C 9 174.782 174.782 175.015 -0.233 18226 7698 1 23 . 1 1 9 9 ASN CA C 9 53.397 53.397 54.311 -0.914 18226 7699 1 23 . 1 1 9 9 ASN CB C 9 38.762 38.762 38.963 -0.201 18226 7700 1 23 . 1 1 9 9 ASN H H 9 8.057 8.057 8.678 -0.621 18226 7701 1 23 . 1 1 10 10 TYR N N 10 120.145 120.145 115.726 4.419 18226 7702 1 23 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.549 -0.110 18226 7703 1 23 . 1 1 10 10 TYR C C 10 175.520 175.520 174.525 0.995 18226 7704 1 23 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.216 -0.847 18226 7705 1 23 . 1 1 10 10 TYR CB C 10 38.749 38.749 40.542 -1.793 18226 7706 1 23 . 1 1 10 10 TYR H H 10 7.951 7.951 7.961 -0.010 18226 7707 1 23 . 1 1 11 11 TYR N N 11 121.223 121.223 117.918 3.305 18226 7708 1 23 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.976 -0.477 18226 7709 1 23 . 1 1 11 11 TYR C C 11 175.974 175.974 174.901 1.073 18226 7710 1 23 . 1 1 11 11 TYR CA C 11 58.073 58.073 56.502 1.571 18226 7711 1 23 . 1 1 11 11 TYR CB C 11 38.671 38.671 39.150 -0.479 18226 7712 1 23 . 1 1 11 11 TYR H H 11 7.971 7.971 8.042 -0.071 18226 7713 1 23 . 1 1 12 12 GLY N N 12 109.861 109.861 108.766 1.095 18226 7714 1 23 . 1 1 12 12 GLY C C 12 173.775 173.775 173.327 0.448 18226 7715 1 23 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.099 0.281 18226 7716 1 23 . 1 1 12 12 GLY H H 12 7.769 7.769 8.019 -0.250 18226 7717 1 23 . 1 1 13 13 ALA N N 13 123.378 123.378 119.783 3.595 18226 7718 1 23 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.227 0.075 18226 7719 1 23 . 1 1 13 13 ALA C C 13 177.509 177.509 175.534 1.975 18226 7720 1 23 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.494 0.133 18226 7721 1 23 . 1 1 13 13 ALA CB C 13 19.444 19.444 18.273 1.171 18226 7722 1 23 . 1 1 13 13 ALA H H 13 7.975 7.975 8.028 -0.053 18226 7723 1 23 . 1 1 14 14 ASP N N 14 118.494 118.494 119.461 -0.967 18226 7724 1 23 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.770 -0.136 18226 7725 1 23 . 1 1 14 14 ASP C C 14 175.747 175.747 175.504 0.243 18226 7726 1 23 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.108 -0.106 18226 7727 1 23 . 1 1 14 14 ASP CB C 14 40.162 40.162 41.997 -1.835 18226 7728 1 23 . 1 1 14 14 ASP H H 14 8.307 8.307 8.560 -0.253 18226 7729 1 23 . 1 1 15 15 ASN N N 15 118.834 118.834 118.886 -0.052 18226 7730 1 23 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.737 -0.075 18226 7731 1 23 . 1 1 15 15 ASN C C 15 175.258 175.258 174.587 0.671 18226 7732 1 23 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.146 0.369 18226 7733 1 23 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.815 -0.058 18226 7734 1 23 . 1 1 15 15 ASN H H 15 8.221 8.221 7.978 0.243 18226 7735 1 23 . 1 1 16 16 GLN N N 16 120.413 120.413 121.400 -0.987 18226 7736 1 23 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.298 0.057 18226 7737 1 23 . 1 1 16 16 GLN C C 16 176.096 176.096 175.825 0.271 18226 7738 1 23 . 1 1 16 16 GLN CA C 16 56.240 56.240 56.448 -0.208 18226 7739 1 23 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.024 1.346 18226 7740 1 23 . 1 1 16 16 GLN H H 16 8.295 8.295 8.460 -0.166 18226 7741 1 23 . 1 1 17 17 SER N N 17 116.692 116.692 112.395 4.297 18226 7742 1 23 . 1 1 17 17 SER HA H 17 4.428 4.428 3.862 0.566 18226 7743 1 23 . 1 1 17 17 SER C C 17 174.523 174.523 172.465 2.058 18226 7744 1 23 . 1 1 17 17 SER CA C 17 58.683 58.683 59.061 -0.378 18226 7745 1 23 . 1 1 17 17 SER CB C 17 63.794 63.794 61.885 1.909 18226 7746 1 23 . 1 1 17 17 SER H H 17 8.267 8.267 8.834 -0.567 18226 7747 1 23 . 1 1 18 18 GLU N N 18 122.142 122.142 120.132 2.010 18226 7748 1 23 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.366 -0.003 18226 7749 1 23 . 1 1 18 18 GLU C C 18 175.937 175.937 176.738 -0.801 18226 7750 1 23 . 1 1 18 18 GLU CA C 18 56.305 56.305 55.328 0.977 18226 7751 1 23 . 1 1 18 18 GLU CB C 18 29.506 29.506 31.594 -2.088 18226 7752 1 23 . 1 1 18 18 GLU H H 18 8.330 8.330 7.731 0.599 18226 7753 1 23 . 1 1 19 19 CYS N N 19 120.077 120.077 121.239 -1.162 18226 7754 1 23 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.195 0.237 18226 7755 1 23 . 1 1 19 19 CYS C C 19 174.442 174.442 174.354 0.088 18226 7756 1 23 . 1 1 19 19 CYS CA C 19 58.613 58.613 59.437 -0.824 18226 7757 1 23 . 1 1 19 19 CYS CB C 19 27.999 27.999 26.506 1.492 18226 7758 1 23 . 1 1 19 19 CYS H H 19 8.276 8.276 9.077 -0.801 18226 7759 1 23 . 1 1 20 20 GLU N N 20 123.369 123.369 121.108 2.261 18226 7760 1 23 . 1 1 20 20 GLU HA H 20 4.303 4.303 2.310 1.993 18226 7761 1 23 . 1 1 20 20 GLU C C 20 175.858 175.858 174.783 1.075 18226 7762 1 23 . 1 1 20 20 GLU CA C 20 56.457 56.457 55.233 1.224 18226 7763 1 23 . 1 1 20 20 GLU CB C 20 29.150 29.150 27.746 1.404 18226 7764 1 23 . 1 1 20 20 GLU H H 20 8.400 8.400 7.778 0.622 18226 7765 1 23 . 1 1 21 21 TYR N N 21 119.980 119.980 118.899 1.081 18226 7766 1 23 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.546 -0.002 18226 7767 1 23 . 1 1 21 21 TYR C C 21 175.669 175.669 176.455 -0.786 18226 7768 1 23 . 1 1 21 21 TYR CA C 21 58.103 58.103 59.632 -1.529 18226 7769 1 23 . 1 1 21 21 TYR CB C 21 38.677 38.677 39.565 -0.888 18226 7770 1 23 . 1 1 21 21 TYR H H 21 7.991 7.991 7.622 0.369 18226 7771 1 23 . 1 1 22 22 THR N N 22 113.984 113.984 110.214 3.770 18226 7772 1 23 . 1 1 22 22 THR HA H 22 4.164 4.164 4.576 -0.412 18226 7773 1 23 . 1 1 22 22 THR C C 22 174.259 174.259 173.617 0.642 18226 7774 1 23 . 1 1 22 22 THR CA C 22 62.381 62.381 62.684 -0.303 18226 7775 1 23 . 1 1 22 22 THR CB C 22 69.551 69.551 69.917 -0.366 18226 7776 1 23 . 1 1 22 22 THR H H 22 7.821 7.821 8.401 -0.580 18226 7777 1 23 . 1 1 23 23 ASP N N 23 121.930 121.930 121.385 0.545 18226 7778 1 23 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.931 -0.260 18226 7779 1 23 . 1 1 23 23 ASP C C 23 176.164 176.164 174.984 1.180 18226 7780 1 23 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.661 -0.980 18226 7781 1 23 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.981 -2.375 18226 7782 1 23 . 1 1 23 23 ASP H H 23 8.106 8.106 8.621 -0.515 18226 7783 1 23 . 1 1 24 24 TRP N N 24 121.947 121.947 118.180 3.767 18226 7784 1 23 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.891 -0.409 18226 7785 1 23 . 1 1 24 24 TRP C C 24 176.496 176.496 175.268 1.228 18226 7786 1 23 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.151 1.087 18226 7787 1 23 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.920 -0.731 18226 7788 1 23 . 1 1 24 24 TRP H H 24 7.991 7.991 8.010 -0.019 18226 7789 1 23 . 1 1 25 25 LYS N N 25 119.673 119.673 117.041 2.632 18226 7790 1 23 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.074 -0.085 18226 7791 1 23 . 1 1 25 25 LYS C C 25 176.770 176.770 175.539 1.231 18226 7792 1 23 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.639 1.828 18226 7793 1 23 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.438 0.515 18226 7794 1 23 . 1 1 25 25 LYS H H 25 7.588 7.588 7.353 0.235 18226 7795 1 23 . 1 1 26 26 SER N N 26 114.157 114.157 114.054 0.103 18226 7796 1 23 . 1 1 26 26 SER HA H 26 4.462 4.462 4.488 -0.026 18226 7797 1 23 . 1 1 26 26 SER C C 26 175.126 175.126 174.096 1.030 18226 7798 1 23 . 1 1 26 26 SER CA C 26 58.673 58.673 58.679 -0.007 18226 7799 1 23 . 1 1 26 26 SER CB C 26 63.801 63.801 63.118 0.683 18226 7800 1 23 . 1 1 26 26 SER H H 26 7.823 7.823 7.993 -0.170 18226 7801 1 23 . 1 1 27 27 SER N N 27 117.353 117.353 116.161 1.192 18226 7802 1 23 . 1 1 27 27 SER HA H 27 4.288 4.288 4.465 -0.177 18226 7803 1 23 . 1 1 27 27 SER C C 27 175.598 175.598 175.060 0.538 18226 7804 1 23 . 1 1 27 27 SER CA C 27 60.216 60.216 59.593 0.623 18226 7805 1 23 . 1 1 27 27 SER CB C 27 63.684 63.684 63.397 0.287 18226 7806 1 23 . 1 1 27 27 SER H H 27 8.178 8.178 8.022 0.156 18226 7807 1 23 . 1 1 28 28 GLY N N 28 110.249 110.249 106.143 4.106 18226 7808 1 23 . 1 1 28 28 GLY C C 28 174.667 174.667 173.959 0.708 18226 7809 1 23 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.097 1.179 18226 7810 1 23 . 1 1 28 28 GLY H H 28 8.359 8.359 7.879 0.480 18226 7811 1 23 . 1 1 29 29 ALA N N 29 121.959 121.959 120.250 1.709 18226 7812 1 23 . 1 1 29 29 ALA HA H 29 4.328 4.328 3.958 0.370 18226 7813 1 23 . 1 1 29 29 ALA C C 29 177.873 177.873 176.794 1.079 18226 7814 1 23 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.840 0.421 18226 7815 1 23 . 1 1 29 29 ALA CB C 29 19.637 19.637 17.268 2.369 18226 7816 1 23 . 1 1 29 29 ALA H H 29 7.931 7.931 7.996 -0.065 18226 7817 1 23 . 1 1 30 30 LEU N N 30 117.460 117.460 114.081 3.379 18226 7818 1 23 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.575 -0.367 18226 7819 1 23 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.441 1.951 18226 7820 1 23 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.401 0.204 18226 7821 1 23 . 1 1 30 30 LEU H H 30 7.924 7.924 7.966 -0.042 18226 7822 1 23 . 1 1 31 31 ILE N N 31 117.379 117.379 121.816 -4.437 18226 7823 1 23 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.238 -0.315 18226 7824 1 23 . 1 1 31 31 ILE CA C 31 66.011 66.011 64.154 1.857 18226 7825 1 23 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.777 -0.554 18226 7826 1 23 . 1 1 31 31 ILE H H 31 8.100 8.100 8.003 0.097 18226 7827 1 23 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.511 -0.193 18226 7828 1 23 . 1 1 32 32 PRO C C 32 178.706 178.706 175.711 2.995 18226 7829 1 23 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.096 2.935 18226 7830 1 23 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.282 0.985 18226 7831 1 23 . 1 1 33 33 ALA N N 33 119.040 119.040 121.213 -2.173 18226 7832 1 23 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.472 -0.277 18226 7833 1 23 . 1 1 33 33 ALA C C 33 179.052 179.052 176.993 2.059 18226 7834 1 23 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.419 2.974 18226 7835 1 23 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.312 -1.781 18226 7836 1 23 . 1 1 33 33 ALA H H 33 7.462 7.462 7.920 -0.458 18226 7837 1 23 . 1 1 34 34 ILE N N 34 118.037 118.037 113.352 4.685 18226 7838 1 23 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.281 -0.559 18226 7839 1 23 . 1 1 34 34 ILE C C 34 177.827 177.827 176.643 1.184 18226 7840 1 23 . 1 1 34 34 ILE CA C 34 65.023 65.023 61.914 3.109 18226 7841 1 23 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.040 -1.699 18226 7842 1 23 . 1 1 34 34 ILE H H 34 8.176 8.176 7.449 0.727 18226 7843 1 23 . 1 1 35 35 TYR N N 35 118.783 118.783 119.915 -1.132 18226 7844 1 23 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.252 -0.107 18226 7845 1 23 . 1 1 35 35 TYR C C 35 178.062 178.062 177.664 0.398 18226 7846 1 23 . 1 1 35 35 TYR CA C 35 61.548 61.548 62.070 -0.522 18226 7847 1 23 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.983 -0.242 18226 7848 1 23 . 1 1 35 35 TYR H H 35 8.306 8.306 7.734 0.572 18226 7849 1 23 . 1 1 36 36 MET N N 36 118.068 118.068 118.013 0.055 18226 7850 1 23 . 1 1 36 36 MET HA H 36 4.317 4.317 4.464 -0.147 18226 7851 1 23 . 1 1 36 36 MET C C 36 178.183 178.183 177.076 1.107 18226 7852 1 23 . 1 1 36 36 MET CA C 36 58.533 58.533 57.858 0.676 18226 7853 1 23 . 1 1 36 36 MET CB C 36 32.288 32.288 32.258 0.030 18226 7854 1 23 . 1 1 36 36 MET H H 36 8.090 8.090 8.001 0.089 18226 7855 1 23 . 1 1 37 37 LEU N N 37 120.316 120.316 118.935 1.381 18226 7856 1 23 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.257 -0.142 18226 7857 1 23 . 1 1 37 37 LEU C C 37 178.353 178.353 177.239 1.114 18226 7858 1 23 . 1 1 37 37 LEU CA C 37 58.330 58.330 55.487 2.843 18226 7859 1 23 . 1 1 37 37 LEU CB C 37 41.914 41.914 40.833 1.081 18226 7860 1 23 . 1 1 37 37 LEU H H 37 8.106 8.106 7.899 0.207 18226 7861 1 23 . 1 1 38 38 VAL N N 38 118.385 118.385 116.539 1.846 18226 7862 1 23 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.004 -0.475 18226 7863 1 23 . 1 1 38 38 VAL C C 38 178.216 178.216 177.489 0.727 18226 7864 1 23 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.588 3.454 18226 7865 1 23 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.084 -0.459 18226 7866 1 23 . 1 1 38 38 VAL H H 38 8.305 8.305 7.208 1.097 18226 7867 1 23 . 1 1 39 39 PHE N N 39 120.216 120.216 121.984 -1.768 18226 7868 1 23 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.147 0.114 18226 7869 1 23 . 1 1 39 39 PHE C C 39 178.597 178.597 176.277 2.320 18226 7870 1 23 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.853 -1.534 18226 7871 1 23 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.633 -0.744 18226 7872 1 23 . 1 1 39 39 PHE H H 39 8.196 8.196 8.142 0.054 18226 7873 1 23 . 1 1 40 40 LEU N N 40 120.772 120.772 117.696 3.076 18226 7874 1 23 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.377 -0.327 18226 7875 1 23 . 1 1 40 40 LEU C C 40 179.666 179.666 176.029 3.637 18226 7876 1 23 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.604 3.302 18226 7877 1 23 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.186 1.154 18226 7878 1 23 . 1 1 40 40 LEU H H 40 8.452 8.452 7.733 0.719 18226 7879 1 23 . 1 1 41 41 LEU N N 41 119.185 119.185 119.914 -0.729 18226 7880 1 23 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.483 -0.384 18226 7881 1 23 . 1 1 41 41 LEU C C 41 178.878 178.878 176.298 2.580 18226 7882 1 23 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.551 0.835 18226 7883 1 23 . 1 1 41 41 LEU CB C 41 41.855 41.855 42.927 -1.072 18226 7884 1 23 . 1 1 41 41 LEU H H 41 8.435 8.435 7.948 0.487 18226 7885 1 23 . 1 1 42 42 GLY N N 42 105.718 105.718 106.195 -0.477 18226 7886 1 23 . 1 1 42 42 GLY C C 42 174.908 174.908 174.638 0.270 18226 7887 1 23 . 1 1 42 42 GLY CA C 42 46.642 46.642 47.160 -0.518 18226 7888 1 23 . 1 1 42 42 GLY H H 42 8.208 8.208 8.270 -0.062 18226 7889 1 23 . 1 1 43 43 THR N N 43 111.959 111.959 115.144 -3.185 18226 7890 1 23 . 1 1 43 43 THR HA H 43 4.348 4.348 4.343 0.005 18226 7891 1 23 . 1 1 43 43 THR C C 43 175.665 175.665 174.299 1.366 18226 7892 1 23 . 1 1 43 43 THR CA C 43 63.097 63.097 62.091 1.006 18226 7893 1 23 . 1 1 43 43 THR CB C 43 69.867 69.867 69.276 0.591 18226 7894 1 23 . 1 1 43 43 THR H H 43 7.789 7.789 7.241 0.548 18226 7895 1 23 . 1 1 44 44 THR N N 44 113.271 113.271 116.225 -2.954 18226 7896 1 23 . 1 1 44 44 THR HA H 44 4.308 4.308 3.972 0.336 18226 7897 1 23 . 1 1 44 44 THR C C 44 175.754 175.754 175.466 0.288 18226 7898 1 23 . 1 1 44 44 THR CA C 44 63.194 63.194 63.678 -0.484 18226 7899 1 23 . 1 1 44 44 THR CB C 44 70.171 70.171 67.797 2.374 18226 7900 1 23 . 1 1 44 44 THR H H 44 7.833 7.833 8.584 -0.751 18226 7901 1 23 . 1 1 45 45 GLY N N 45 109.879 109.879 108.762 1.117 18226 7902 1 23 . 1 1 45 45 GLY C C 45 175.221 175.221 174.333 0.888 18226 7903 1 23 . 1 1 45 45 GLY CA C 45 46.539 46.539 44.947 1.592 18226 7904 1 23 . 1 1 45 45 GLY H H 45 8.259 8.259 7.903 0.356 18226 7905 1 23 . 1 1 46 46 ASN N N 46 117.998 117.998 115.746 2.252 18226 7906 1 23 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.923 -0.311 18226 7907 1 23 . 1 1 46 46 ASN C C 46 176.215 176.215 175.638 0.577 18226 7908 1 23 . 1 1 46 46 ASN CA C 46 54.840 54.840 52.535 2.305 18226 7909 1 23 . 1 1 46 46 ASN CB C 46 38.566 38.566 39.700 -1.134 18226 7910 1 23 . 1 1 46 46 ASN H H 46 8.235 8.235 8.548 -0.313 18226 7911 1 23 . 1 1 47 47 GLY N N 47 106.990 106.990 107.375 -0.385 18226 7912 1 23 . 1 1 47 47 GLY C C 47 174.659 174.659 174.630 0.029 18226 7913 1 23 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.292 1.687 18226 7914 1 23 . 1 1 47 47 GLY H H 47 8.425 8.425 7.737 0.688 18226 7915 1 23 . 1 1 48 48 LEU N N 48 120.699 120.699 113.548 7.151 18226 7916 1 23 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.813 -0.513 18226 7917 1 23 . 1 1 48 48 LEU C C 48 179.482 179.482 176.572 2.910 18226 7918 1 23 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.556 1.889 18226 7919 1 23 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.920 -0.354 18226 7920 1 23 . 1 1 48 48 LEU H H 48 7.956 7.956 7.493 0.463 18226 7921 1 23 . 1 1 49 49 VAL N N 49 120.101 120.101 120.465 -0.364 18226 7922 1 23 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.028 -0.149 18226 7923 1 23 . 1 1 49 49 VAL C C 49 177.535 177.535 176.871 0.664 18226 7924 1 23 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.429 1.433 18226 7925 1 23 . 1 1 49 49 VAL CB C 49 31.779 31.779 31.951 -0.172 18226 7926 1 23 . 1 1 49 49 VAL H H 49 7.919 7.919 7.777 0.142 18226 7927 1 23 . 1 1 50 50 LEU N N 50 119.268 119.268 116.001 3.267 18226 7928 1 23 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.606 -0.563 18226 7929 1 23 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.853 0.992 18226 7930 1 23 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.055 -0.178 18226 7931 1 23 . 1 1 50 50 LEU H H 50 7.731 7.731 7.787 -0.056 18226 7932 1 23 . 1 1 51 51 TRP N N 51 118.033 118.033 122.076 -4.043 18226 7933 1 23 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.440 0.152 18226 7934 1 23 . 1 1 51 51 TRP C C 51 177.302 177.302 177.305 -0.003 18226 7935 1 23 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.907 -0.118 18226 7936 1 23 . 1 1 51 51 TRP CB C 51 30.207 30.207 28.843 1.364 18226 7937 1 23 . 1 1 51 51 TRP H H 51 8.070 8.070 8.632 -0.562 18226 7938 1 23 . 1 1 52 52 THR N N 52 113.014 113.014 114.671 -1.657 18226 7939 1 23 . 1 1 52 52 THR HA H 52 3.746 3.746 3.973 -0.227 18226 7940 1 23 . 1 1 52 52 THR C C 52 176.361 176.361 175.862 0.499 18226 7941 1 23 . 1 1 52 52 THR CA C 52 66.443 66.443 63.677 2.766 18226 7942 1 23 . 1 1 52 52 THR CB C 52 69.017 69.017 68.246 0.771 18226 7943 1 23 . 1 1 52 52 THR H H 52 8.101 8.101 7.992 0.109 18226 7944 1 23 . 1 1 53 53 VAL N N 53 120.231 120.231 122.171 -1.940 18226 7945 1 23 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.752 -0.074 18226 7946 1 23 . 1 1 53 53 VAL C C 53 177.482 177.482 176.334 1.148 18226 7947 1 23 . 1 1 53 53 VAL CA C 53 66.158 66.158 65.739 0.419 18226 7948 1 23 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.696 0.071 18226 7949 1 23 . 1 1 53 53 VAL H H 53 7.905 7.905 8.421 -0.516 18226 7950 1 23 . 1 1 54 54 PHE N N 54 118.609 118.609 116.994 1.615 18226 7951 1 23 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.599 -0.366 18226 7952 1 23 . 1 1 54 54 PHE CA C 54 60.666 60.666 57.601 3.065 18226 7953 1 23 . 1 1 54 54 PHE CB C 54 39.258 39.258 39.154 0.104 18226 7954 1 23 . 1 1 54 54 PHE H H 54 8.025 8.025 7.243 0.782 18226 7955 1 23 . 1 1 55 55 ARG N N 55 117.305 117.305 121.353 -4.048 18226 7956 1 23 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.090 -0.282 18226 7957 1 23 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.952 -0.242 18226 7958 1 23 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.209 -1.546 18226 7959 1 23 . 1 1 55 55 ARG H H 55 8.025 8.025 8.025 -0.000 18226 7960 1 23 . 1 1 56 56 LYS N N 56 118.321 118.321 120.335 -2.014 18226 7961 1 23 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.953 0.217 18226 7962 1 23 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.938 -1.498 18226 7963 1 23 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.715 1.214 18226 7964 1 23 . 1 1 56 56 LYS H H 56 7.717 7.717 7.790 -0.073 18226 7965 1 23 . 1 1 57 57 LYS N N 57 118.349 118.349 117.264 1.085 18226 7966 1 23 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.039 0.250 18226 7967 1 23 . 1 1 57 57 LYS C C 57 176.891 176.891 176.791 0.100 18226 7968 1 23 . 1 1 57 57 LYS CA C 57 56.373 56.373 56.611 -0.238 18226 7969 1 23 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.520 0.344 18226 7970 1 23 . 1 1 57 57 LYS H H 57 7.872 7.872 8.093 -0.221 18226 7971 1 23 . 1 1 58 58 GLY N N 58 107.442 107.442 105.840 1.602 18226 7972 1 23 . 1 1 58 58 GLY C C 58 173.263 173.263 173.549 -0.286 18226 7973 1 23 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.706 0.851 18226 7974 1 23 . 1 1 58 58 GLY H H 58 8.060 8.060 7.836 0.224 18226 7975 1 23 . 1 1 59 59 HIS N N 59 116.928 116.928 121.646 -4.718 18226 7976 1 23 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.177 0.491 18226 7977 1 23 . 1 1 59 59 HIS C C 59 173.935 173.935 174.444 -0.509 18226 7978 1 23 . 1 1 59 59 HIS CA C 59 55.085 55.085 57.314 -2.229 18226 7979 1 23 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.761 -0.538 18226 7980 1 23 . 1 1 59 59 HIS H H 59 8.076 8.076 8.427 -0.351 18226 7981 1 23 . 1 1 60 60 HIS N N 60 119.187 119.187 117.522 1.665 18226 7982 1 23 . 1 1 60 60 HIS HA H 60 4.671 4.671 3.669 1.002 18226 7983 1 23 . 1 1 60 60 HIS C C 60 173.926 173.926 174.332 -0.406 18226 7984 1 23 . 1 1 60 60 HIS CA C 60 55.429 55.429 57.018 -1.589 18226 7985 1 23 . 1 1 60 60 HIS CB C 60 29.157 29.157 30.072 -0.915 18226 7986 1 23 . 1 1 60 60 HIS H H 60 8.547 8.547 7.639 0.908 18226 7987 1 23 . 1 1 61 61 HIS N N 61 120.017 120.017 114.479 5.538 18226 7988 1 23 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.805 -0.138 18226 7989 1 23 . 1 1 61 61 HIS C C 61 173.994 173.994 174.174 -0.180 18226 7990 1 23 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.496 -0.063 18226 7991 1 23 . 1 1 61 61 HIS CB C 61 29.201 29.201 27.846 1.355 18226 7992 1 23 . 1 1 61 61 HIS H H 61 8.662 8.662 7.733 0.929 18226 7993 1 23 . 1 1 62 62 HIS N N 62 120.463 120.463 117.625 2.838 18226 7994 1 23 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.129 0.528 18226 7995 1 23 . 1 1 62 62 HIS C C 62 173.939 173.939 174.577 -0.638 18226 7996 1 23 . 1 1 62 62 HIS CA C 62 55.376 55.376 57.417 -2.041 18226 7997 1 23 . 1 1 62 62 HIS CB C 62 29.291 29.291 27.640 1.651 18226 7998 1 23 . 1 1 62 62 HIS H H 62 8.729 8.729 9.050 -0.321 18226 7999 1 23 . 1 1 63 63 HIS N N 63 120.370 120.370 120.105 0.265 18226 8000 1 23 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.292 0.366 18226 8001 1 23 . 1 1 63 63 HIS C C 63 173.564 173.564 174.458 -0.894 18226 8002 1 23 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.622 -0.014 18226 8003 1 23 . 1 1 63 63 HIS CB C 63 29.365 29.365 28.168 1.197 18226 8004 1 23 . 1 1 63 63 HIS H H 63 8.619 8.619 8.441 0.178 18226 8005 1 24 . 1 1 2 2 GLU N N 2 123.545 123.545 121.842 1.703 18226 8006 1 24 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.231 0.155 18226 8007 1 24 . 1 1 2 2 GLU C C 2 175.742 175.742 175.584 0.158 18226 8008 1 24 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.749 -0.386 18226 8009 1 24 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.330 -0.575 18226 8010 1 24 . 1 1 2 2 GLU H H 2 8.765 8.765 8.319 0.446 18226 8011 1 24 . 1 1 3 3 GLU N N 3 122.227 122.227 122.809 -0.582 18226 8012 1 24 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.242 0.091 18226 8013 1 24 . 1 1 3 3 GLU C C 3 176.636 176.636 177.841 -1.205 18226 8014 1 24 . 1 1 3 3 GLU CA C 3 56.488 56.488 57.192 -0.704 18226 8015 1 24 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.635 0.122 18226 8016 1 24 . 1 1 3 3 GLU H H 3 8.550 8.550 8.490 0.060 18226 8017 1 24 . 1 1 4 4 GLY N N 4 110.108 110.108 106.150 3.958 18226 8018 1 24 . 1 1 4 4 GLY C C 4 174.548 174.548 174.398 0.150 18226 8019 1 24 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.761 -0.286 18226 8020 1 24 . 1 1 4 4 GLY H H 4 8.453 8.453 8.677 -0.224 18226 8021 1 24 . 1 1 5 5 GLY N N 5 108.466 108.466 109.244 -0.778 18226 8022 1 24 . 1 1 5 5 GLY C C 5 173.790 173.790 173.102 0.688 18226 8023 1 24 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.873 0.491 18226 8024 1 24 . 1 1 5 5 GLY H H 5 8.168 8.168 8.090 0.078 18226 8025 1 24 . 1 1 6 6 ASP N N 6 119.764 119.764 122.599 -2.835 18226 8026 1 24 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.724 -0.141 18226 8027 1 24 . 1 1 6 6 ASP C C 6 175.811 175.811 174.974 0.837 18226 8028 1 24 . 1 1 6 6 ASP CA C 6 53.992 53.992 55.077 -1.085 18226 8029 1 24 . 1 1 6 6 ASP CB C 6 40.257 40.257 42.021 -1.764 18226 8030 1 24 . 1 1 6 6 ASP H H 6 8.187 8.187 8.897 -0.710 18226 8031 1 24 . 1 1 7 7 PHE N N 7 119.941 119.941 119.387 0.554 18226 8032 1 24 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.803 -0.237 18226 8033 1 24 . 1 1 7 7 PHE C C 7 175.636 175.636 173.424 2.212 18226 8034 1 24 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.313 -0.242 18226 8035 1 24 . 1 1 7 7 PHE CB C 7 39.319 39.319 39.744 -0.425 18226 8036 1 24 . 1 1 7 7 PHE H H 7 8.103 8.103 8.036 0.067 18226 8037 1 24 . 1 1 8 8 ASP N N 8 120.418 120.418 119.903 0.515 18226 8038 1 24 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.578 -0.041 18226 8039 1 24 . 1 1 8 8 ASP C C 8 175.548 175.548 175.171 0.377 18226 8040 1 24 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.074 0.299 18226 8041 1 24 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.137 -0.751 18226 8042 1 24 . 1 1 8 8 ASP H H 8 8.177 8.177 7.835 0.342 18226 8043 1 24 . 1 1 9 9 ASN N N 9 118.260 118.260 119.051 -0.791 18226 8044 1 24 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.608 -0.021 18226 8045 1 24 . 1 1 9 9 ASN C C 9 174.782 174.782 174.575 0.207 18226 8046 1 24 . 1 1 9 9 ASN CA C 9 53.397 53.397 51.956 1.441 18226 8047 1 24 . 1 1 9 9 ASN CB C 9 38.762 38.762 38.254 0.508 18226 8048 1 24 . 1 1 9 9 ASN H H 9 8.057 8.057 7.847 0.210 18226 8049 1 24 . 1 1 10 10 TYR N N 10 120.145 120.145 120.138 0.007 18226 8050 1 24 . 1 1 10 10 TYR HA H 10 4.439 4.439 3.721 0.718 18226 8051 1 24 . 1 1 10 10 TYR C C 10 175.520 175.520 174.160 1.360 18226 8052 1 24 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.003 -0.634 18226 8053 1 24 . 1 1 10 10 TYR CB C 10 38.749 38.749 36.670 2.079 18226 8054 1 24 . 1 1 10 10 TYR H H 10 7.951 7.951 7.976 -0.025 18226 8055 1 24 . 1 1 11 11 TYR N N 11 121.223 121.223 114.605 6.618 18226 8056 1 24 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.076 0.423 18226 8057 1 24 . 1 1 11 11 TYR C C 11 175.974 175.974 176.278 -0.304 18226 8058 1 24 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.801 0.272 18226 8059 1 24 . 1 1 11 11 TYR CB C 11 38.671 38.671 34.619 4.052 18226 8060 1 24 . 1 1 11 11 TYR H H 11 7.971 7.971 7.026 0.945 18226 8061 1 24 . 1 1 12 12 GLY N N 12 109.861 109.861 105.241 4.620 18226 8062 1 24 . 1 1 12 12 GLY C C 12 173.775 173.775 174.296 -0.521 18226 8063 1 24 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.925 -0.545 18226 8064 1 24 . 1 1 12 12 GLY H H 12 7.769 7.769 8.024 -0.255 18226 8065 1 24 . 1 1 13 13 ALA N N 13 123.378 123.378 121.558 1.820 18226 8066 1 24 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.372 -0.070 18226 8067 1 24 . 1 1 13 13 ALA C C 13 177.509 177.509 175.369 2.140 18226 8068 1 24 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.192 0.435 18226 8069 1 24 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.477 -0.033 18226 8070 1 24 . 1 1 13 13 ALA H H 13 7.975 7.975 7.889 0.086 18226 8071 1 24 . 1 1 14 14 ASP N N 14 118.494 118.494 120.526 -2.032 18226 8072 1 24 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.349 0.285 18226 8073 1 24 . 1 1 14 14 ASP C C 14 175.747 175.747 175.161 0.586 18226 8074 1 24 . 1 1 14 14 ASP CA C 14 54.002 54.002 53.773 0.229 18226 8075 1 24 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.264 -0.102 18226 8076 1 24 . 1 1 14 14 ASP H H 14 8.307 8.307 7.357 0.950 18226 8077 1 24 . 1 1 15 15 ASN N N 15 118.834 118.834 114.288 4.546 18226 8078 1 24 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.464 0.198 18226 8079 1 24 . 1 1 15 15 ASN C C 15 175.258 175.258 174.035 1.223 18226 8080 1 24 . 1 1 15 15 ASN CA C 15 53.515 53.515 54.283 -0.768 18226 8081 1 24 . 1 1 15 15 ASN CB C 15 38.757 38.757 36.947 1.810 18226 8082 1 24 . 1 1 15 15 ASN H H 15 8.221 8.221 8.205 0.016 18226 8083 1 24 . 1 1 16 16 GLN N N 16 120.413 120.413 120.716 -0.303 18226 8084 1 24 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.597 -0.242 18226 8085 1 24 . 1 1 16 16 GLN C C 16 176.096 176.096 176.022 0.074 18226 8086 1 24 . 1 1 16 16 GLN CA C 16 56.240 56.240 56.587 -0.347 18226 8087 1 24 . 1 1 16 16 GLN CB C 16 29.370 29.370 30.870 -1.500 18226 8088 1 24 . 1 1 16 16 GLN H H 16 8.295 8.295 8.601 -0.306 18226 8089 1 24 . 1 1 17 17 SER N N 17 116.692 116.692 112.588 4.104 18226 8090 1 24 . 1 1 17 17 SER HA H 17 4.428 4.428 4.574 -0.146 18226 8091 1 24 . 1 1 17 17 SER C C 17 174.523 174.523 174.019 0.504 18226 8092 1 24 . 1 1 17 17 SER CA C 17 58.683 58.683 58.679 0.004 18226 8093 1 24 . 1 1 17 17 SER CB C 17 63.794 63.794 63.251 0.543 18226 8094 1 24 . 1 1 17 17 SER H H 17 8.267 8.267 7.843 0.424 18226 8095 1 24 . 1 1 18 18 GLU N N 18 122.142 122.142 120.906 1.236 18226 8096 1 24 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.507 -0.144 18226 8097 1 24 . 1 1 18 18 GLU C C 18 175.937 175.937 175.280 0.657 18226 8098 1 24 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.708 -0.403 18226 8099 1 24 . 1 1 18 18 GLU CB C 18 29.506 29.506 31.218 -1.712 18226 8100 1 24 . 1 1 18 18 GLU H H 18 8.330 8.330 8.568 -0.238 18226 8101 1 24 . 1 1 19 19 CYS N N 19 120.077 120.077 116.718 3.359 18226 8102 1 24 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.837 -0.405 18226 8103 1 24 . 1 1 19 19 CYS C C 19 174.442 174.442 173.226 1.216 18226 8104 1 24 . 1 1 19 19 CYS CA C 19 58.613 58.613 57.651 0.962 18226 8105 1 24 . 1 1 19 19 CYS CB C 19 27.999 27.999 28.529 -0.530 18226 8106 1 24 . 1 1 19 19 CYS H H 19 8.276 8.276 7.725 0.551 18226 8107 1 24 . 1 1 20 20 GLU N N 20 123.369 123.369 119.253 4.116 18226 8108 1 24 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.413 -0.110 18226 8109 1 24 . 1 1 20 20 GLU C C 20 175.858 175.858 175.674 0.184 18226 8110 1 24 . 1 1 20 20 GLU CA C 20 56.457 56.457 55.619 0.838 18226 8111 1 24 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.869 -0.719 18226 8112 1 24 . 1 1 20 20 GLU H H 20 8.400 8.400 8.496 -0.096 18226 8113 1 24 . 1 1 21 21 TYR N N 21 119.980 119.980 119.151 0.829 18226 8114 1 24 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.646 -0.102 18226 8115 1 24 . 1 1 21 21 TYR C C 21 175.669 175.669 176.039 -0.370 18226 8116 1 24 . 1 1 21 21 TYR CA C 21 58.103 58.103 60.093 -1.990 18226 8117 1 24 . 1 1 21 21 TYR CB C 21 38.677 38.677 39.602 -0.925 18226 8118 1 24 . 1 1 21 21 TYR H H 21 7.991 7.991 8.044 -0.053 18226 8119 1 24 . 1 1 22 22 THR N N 22 113.984 113.984 110.929 3.055 18226 8120 1 24 . 1 1 22 22 THR HA H 22 4.164 4.164 4.756 -0.592 18226 8121 1 24 . 1 1 22 22 THR C C 22 174.259 174.259 173.748 0.511 18226 8122 1 24 . 1 1 22 22 THR CA C 22 62.381 62.381 62.063 0.318 18226 8123 1 24 . 1 1 22 22 THR CB C 22 69.551 69.551 69.342 0.209 18226 8124 1 24 . 1 1 22 22 THR H H 22 7.821 7.821 8.121 -0.300 18226 8125 1 24 . 1 1 23 23 ASP N N 23 121.930 121.930 121.975 -0.045 18226 8126 1 24 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.743 -0.072 18226 8127 1 24 . 1 1 23 23 ASP C C 23 176.164 176.164 178.138 -1.974 18226 8128 1 24 . 1 1 23 23 ASP CA C 23 53.681 53.681 55.308 -1.627 18226 8129 1 24 . 1 1 23 23 ASP CB C 23 39.606 39.606 42.226 -2.620 18226 8130 1 24 . 1 1 23 23 ASP H H 23 8.106 8.106 8.546 -0.440 18226 8131 1 24 . 1 1 24 24 TRP N N 24 121.947 121.947 119.933 2.014 18226 8132 1 24 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.428 0.054 18226 8133 1 24 . 1 1 24 24 TRP C C 24 176.496 176.496 174.964 1.532 18226 8134 1 24 . 1 1 24 24 TRP CA C 24 58.238 58.238 58.997 -0.759 18226 8135 1 24 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.122 1.067 18226 8136 1 24 . 1 1 24 24 TRP H H 24 7.991 7.991 8.290 -0.299 18226 8137 1 24 . 1 1 25 25 LYS N N 25 119.673 119.673 115.148 4.525 18226 8138 1 24 . 1 1 25 25 LYS HA H 25 3.989 3.989 3.962 0.027 18226 8139 1 24 . 1 1 25 25 LYS C C 25 176.770 176.770 175.063 1.707 18226 8140 1 24 . 1 1 25 25 LYS CA C 25 57.467 57.467 54.919 2.548 18226 8141 1 24 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.102 0.851 18226 8142 1 24 . 1 1 25 25 LYS H H 25 7.588 7.588 7.069 0.518 18226 8143 1 24 . 1 1 26 26 SER N N 26 114.157 114.157 114.203 -0.046 18226 8144 1 24 . 1 1 26 26 SER HA H 26 4.462 4.462 3.995 0.467 18226 8145 1 24 . 1 1 26 26 SER C C 26 175.126 175.126 174.222 0.904 18226 8146 1 24 . 1 1 26 26 SER CA C 26 58.673 58.673 59.453 -0.779 18226 8147 1 24 . 1 1 26 26 SER CB C 26 63.801 63.801 62.104 1.697 18226 8148 1 24 . 1 1 26 26 SER H H 26 7.823 7.823 7.705 0.118 18226 8149 1 24 . 1 1 27 27 SER N N 27 117.353 117.353 118.518 -1.165 18226 8150 1 24 . 1 1 27 27 SER HA H 27 4.288 4.288 4.499 -0.211 18226 8151 1 24 . 1 1 27 27 SER C C 27 175.598 175.598 174.201 1.397 18226 8152 1 24 . 1 1 27 27 SER CA C 27 60.216 60.216 58.581 1.635 18226 8153 1 24 . 1 1 27 27 SER CB C 27 63.684 63.684 64.254 -0.570 18226 8154 1 24 . 1 1 27 27 SER H H 27 8.178 8.178 8.307 -0.129 18226 8155 1 24 . 1 1 28 28 GLY N N 28 110.249 110.249 109.441 0.808 18226 8156 1 24 . 1 1 28 28 GLY C C 28 174.667 174.667 172.775 1.892 18226 8157 1 24 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.461 0.815 18226 8158 1 24 . 1 1 28 28 GLY H H 28 8.359 8.359 7.957 0.402 18226 8159 1 24 . 1 1 29 29 ALA N N 29 121.959 121.959 121.292 0.667 18226 8160 1 24 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.382 -0.054 18226 8161 1 24 . 1 1 29 29 ALA C C 29 177.873 177.873 176.566 1.307 18226 8162 1 24 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.014 0.247 18226 8163 1 24 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.702 -0.065 18226 8164 1 24 . 1 1 29 29 ALA H H 29 7.931 7.931 8.025 -0.094 18226 8165 1 24 . 1 1 30 30 LEU N N 30 117.460 117.460 114.117 3.343 18226 8166 1 24 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.463 -0.256 18226 8167 1 24 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.550 1.842 18226 8168 1 24 . 1 1 30 30 LEU CB C 30 42.605 42.605 41.541 1.063 18226 8169 1 24 . 1 1 30 30 LEU H H 30 7.924 7.924 7.634 0.290 18226 8170 1 24 . 1 1 31 31 ILE N N 31 117.379 117.379 122.287 -4.908 18226 8171 1 24 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.035 -0.112 18226 8172 1 24 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.946 2.065 18226 8173 1 24 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.377 -1.154 18226 8174 1 24 . 1 1 31 31 ILE H H 31 8.100 8.100 8.128 -0.028 18226 8175 1 24 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.511 -0.193 18226 8176 1 24 . 1 1 32 32 PRO C C 32 178.706 178.706 175.677 3.029 18226 8177 1 24 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.043 2.988 18226 8178 1 24 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.559 0.708 18226 8179 1 24 . 1 1 33 33 ALA N N 33 119.040 119.040 121.638 -2.598 18226 8180 1 24 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.492 -0.297 18226 8181 1 24 . 1 1 33 33 ALA C C 33 179.052 179.052 178.286 0.766 18226 8182 1 24 . 1 1 33 33 ALA CA C 33 55.393 55.393 53.029 2.364 18226 8183 1 24 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.537 -2.006 18226 8184 1 24 . 1 1 33 33 ALA H H 33 7.462 7.462 7.558 -0.096 18226 8185 1 24 . 1 1 34 34 ILE N N 34 118.037 118.037 114.873 3.164 18226 8186 1 24 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.320 -0.598 18226 8187 1 24 . 1 1 34 34 ILE C C 34 177.827 177.827 176.648 1.179 18226 8188 1 24 . 1 1 34 34 ILE CA C 34 65.023 65.023 63.009 2.014 18226 8189 1 24 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.174 -1.833 18226 8190 1 24 . 1 1 34 34 ILE H H 34 8.176 8.176 7.592 0.584 18226 8191 1 24 . 1 1 35 35 TYR N N 35 118.783 118.783 119.772 -0.989 18226 8192 1 24 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.438 -0.293 18226 8193 1 24 . 1 1 35 35 TYR C C 35 178.062 178.062 175.438 2.624 18226 8194 1 24 . 1 1 35 35 TYR CA C 35 61.548 61.548 59.725 1.823 18226 8195 1 24 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.005 -0.263 18226 8196 1 24 . 1 1 35 35 TYR H H 35 8.306 8.306 7.755 0.551 18226 8197 1 24 . 1 1 36 36 MET N N 36 118.068 118.068 115.671 2.397 18226 8198 1 24 . 1 1 36 36 MET HA H 36 4.317 4.317 4.606 -0.289 18226 8199 1 24 . 1 1 36 36 MET C C 36 178.183 178.183 176.684 1.499 18226 8200 1 24 . 1 1 36 36 MET CA C 36 58.533 58.533 57.340 1.193 18226 8201 1 24 . 1 1 36 36 MET CB C 36 32.288 32.288 34.345 -2.057 18226 8202 1 24 . 1 1 36 36 MET H H 36 8.090 8.090 7.655 0.435 18226 8203 1 24 . 1 1 37 37 LEU N N 37 120.316 120.316 119.453 0.863 18226 8204 1 24 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.229 -0.114 18226 8205 1 24 . 1 1 37 37 LEU C C 37 178.353 178.353 177.457 0.896 18226 8206 1 24 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.815 1.515 18226 8207 1 24 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.290 0.624 18226 8208 1 24 . 1 1 37 37 LEU H H 37 8.106 8.106 8.277 -0.171 18226 8209 1 24 . 1 1 38 38 VAL N N 38 118.385 118.385 116.825 1.560 18226 8210 1 24 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.008 -0.479 18226 8211 1 24 . 1 1 38 38 VAL C C 38 178.216 178.216 176.771 1.445 18226 8212 1 24 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.673 3.369 18226 8213 1 24 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.877 -1.252 18226 8214 1 24 . 1 1 38 38 VAL H H 38 8.305 8.305 7.339 0.966 18226 8215 1 24 . 1 1 39 39 PHE N N 39 120.216 120.216 123.044 -2.828 18226 8216 1 24 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.126 0.135 18226 8217 1 24 . 1 1 39 39 PHE C C 39 178.597 178.597 175.650 2.947 18226 8218 1 24 . 1 1 39 39 PHE CA C 39 61.320 61.320 61.732 -0.412 18226 8219 1 24 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.775 -0.886 18226 8220 1 24 . 1 1 39 39 PHE H H 39 8.196 8.196 7.998 0.198 18226 8221 1 24 . 1 1 40 40 LEU N N 40 120.772 120.772 115.937 4.835 18226 8222 1 24 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.345 -0.295 18226 8223 1 24 . 1 1 40 40 LEU C C 40 179.666 179.666 175.708 3.958 18226 8224 1 24 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.307 3.599 18226 8225 1 24 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.214 1.126 18226 8226 1 24 . 1 1 40 40 LEU H H 40 8.452 8.452 7.602 0.850 18226 8227 1 24 . 1 1 41 41 LEU N N 41 119.185 119.185 119.178 0.007 18226 8228 1 24 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.580 -0.480 18226 8229 1 24 . 1 1 41 41 LEU C C 41 178.878 178.878 177.230 1.648 18226 8230 1 24 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.974 1.412 18226 8231 1 24 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.926 -2.071 18226 8232 1 24 . 1 1 41 41 LEU H H 41 8.435 8.435 7.035 1.400 18226 8233 1 24 . 1 1 42 42 GLY N N 42 105.718 105.718 105.952 -0.234 18226 8234 1 24 . 1 1 42 42 GLY C C 42 174.908 174.908 174.613 0.295 18226 8235 1 24 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.762 -0.120 18226 8236 1 24 . 1 1 42 42 GLY H H 42 8.208 8.208 7.840 0.368 18226 8237 1 24 . 1 1 43 43 THR N N 43 111.959 111.959 111.727 0.232 18226 8238 1 24 . 1 1 43 43 THR HA H 43 4.348 4.348 4.397 -0.049 18226 8239 1 24 . 1 1 43 43 THR C C 43 175.665 175.665 175.727 -0.062 18226 8240 1 24 . 1 1 43 43 THR CA C 43 63.097 63.097 61.442 1.655 18226 8241 1 24 . 1 1 43 43 THR CB C 43 69.867 69.867 69.155 0.712 18226 8242 1 24 . 1 1 43 43 THR H H 43 7.789 7.789 7.261 0.528 18226 8243 1 24 . 1 1 44 44 THR N N 44 113.271 113.271 118.222 -4.951 18226 8244 1 24 . 1 1 44 44 THR HA H 44 4.308 4.308 3.742 0.566 18226 8245 1 24 . 1 1 44 44 THR C C 44 175.754 175.754 174.860 0.894 18226 8246 1 24 . 1 1 44 44 THR CA C 44 63.194 63.194 64.959 -1.765 18226 8247 1 24 . 1 1 44 44 THR CB C 44 70.171 70.171 68.226 1.945 18226 8248 1 24 . 1 1 44 44 THR H H 44 7.833 7.833 7.910 -0.077 18226 8249 1 24 . 1 1 45 45 GLY N N 45 109.879 109.879 106.839 3.040 18226 8250 1 24 . 1 1 45 45 GLY C C 45 175.221 175.221 173.445 1.776 18226 8251 1 24 . 1 1 45 45 GLY CA C 45 46.539 46.539 44.767 1.772 18226 8252 1 24 . 1 1 45 45 GLY H H 45 8.259 8.259 8.004 0.255 18226 8253 1 24 . 1 1 46 46 ASN N N 46 117.998 117.998 116.911 1.087 18226 8254 1 24 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.239 0.373 18226 8255 1 24 . 1 1 46 46 ASN C C 46 176.215 176.215 174.652 1.563 18226 8256 1 24 . 1 1 46 46 ASN CA C 46 54.840 54.840 54.590 0.250 18226 8257 1 24 . 1 1 46 46 ASN CB C 46 38.566 38.566 37.066 1.500 18226 8258 1 24 . 1 1 46 46 ASN H H 46 8.235 8.235 8.794 -0.559 18226 8259 1 24 . 1 1 47 47 GLY N N 47 106.990 106.990 105.460 1.530 18226 8260 1 24 . 1 1 47 47 GLY C C 47 174.659 174.659 175.361 -0.702 18226 8261 1 24 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.336 1.643 18226 8262 1 24 . 1 1 47 47 GLY H H 47 8.425 8.425 8.013 0.412 18226 8263 1 24 . 1 1 48 48 LEU N N 48 120.699 120.699 120.913 -0.214 18226 8264 1 24 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.069 0.231 18226 8265 1 24 . 1 1 48 48 LEU C C 48 179.482 179.482 177.227 2.255 18226 8266 1 24 . 1 1 48 48 LEU CA C 48 57.445 57.445 57.547 -0.102 18226 8267 1 24 . 1 1 48 48 LEU CB C 48 41.566 41.566 40.941 0.625 18226 8268 1 24 . 1 1 48 48 LEU H H 48 7.956 7.956 8.366 -0.410 18226 8269 1 24 . 1 1 49 49 VAL N N 49 120.101 120.101 117.325 2.776 18226 8270 1 24 . 1 1 49 49 VAL HA H 49 3.879 3.879 3.787 0.092 18226 8271 1 24 . 1 1 49 49 VAL C C 49 177.535 177.535 177.560 -0.025 18226 8272 1 24 . 1 1 49 49 VAL CA C 49 65.862 65.862 65.351 0.511 18226 8273 1 24 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.020 -0.241 18226 8274 1 24 . 1 1 49 49 VAL H H 49 7.919 7.919 7.769 0.150 18226 8275 1 24 . 1 1 50 50 LEU N N 50 119.268 119.268 114.018 5.250 18226 8276 1 24 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.638 -0.595 18226 8277 1 24 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.714 1.131 18226 8278 1 24 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.052 -0.175 18226 8279 1 24 . 1 1 50 50 LEU H H 50 7.731 7.731 7.413 0.318 18226 8280 1 24 . 1 1 51 51 TRP N N 51 118.033 118.033 122.266 -4.233 18226 8281 1 24 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.449 0.143 18226 8282 1 24 . 1 1 51 51 TRP C C 51 177.302 177.302 176.448 0.854 18226 8283 1 24 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.819 -0.030 18226 8284 1 24 . 1 1 51 51 TRP CB C 51 30.207 30.207 28.986 1.220 18226 8285 1 24 . 1 1 51 51 TRP H H 51 8.070 8.070 8.661 -0.591 18226 8286 1 24 . 1 1 52 52 THR N N 52 113.014 113.014 112.569 0.445 18226 8287 1 24 . 1 1 52 52 THR HA H 52 3.746 3.746 4.359 -0.613 18226 8288 1 24 . 1 1 52 52 THR C C 52 176.361 176.361 175.656 0.705 18226 8289 1 24 . 1 1 52 52 THR CA C 52 66.443 66.443 64.389 2.054 18226 8290 1 24 . 1 1 52 52 THR CB C 52 69.017 69.017 69.612 -0.595 18226 8291 1 24 . 1 1 52 52 THR H H 52 8.101 8.101 7.683 0.418 18226 8292 1 24 . 1 1 53 53 VAL N N 53 120.231 120.231 122.463 -2.232 18226 8293 1 24 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.710 -0.032 18226 8294 1 24 . 1 1 53 53 VAL C C 53 177.482 177.482 177.550 -0.068 18226 8295 1 24 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.853 -0.695 18226 8296 1 24 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.909 -0.142 18226 8297 1 24 . 1 1 53 53 VAL H H 53 7.905 7.905 7.788 0.117 18226 8298 1 24 . 1 1 54 54 PHE N N 54 118.609 118.609 119.955 -1.346 18226 8299 1 24 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.097 0.136 18226 8300 1 24 . 1 1 54 54 PHE CA C 54 60.666 60.666 60.234 0.432 18226 8301 1 24 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.875 0.383 18226 8302 1 24 . 1 1 54 54 PHE H H 54 8.025 8.025 7.659 0.366 18226 8303 1 24 . 1 1 55 55 ARG N N 55 117.305 117.305 118.356 -1.051 18226 8304 1 24 . 1 1 55 55 ARG HA H 55 3.808 3.808 3.408 0.400 18226 8305 1 24 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.351 0.359 18226 8306 1 24 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.642 -0.979 18226 8307 1 24 . 1 1 55 55 ARG H H 55 8.025 8.025 7.935 0.090 18226 8308 1 24 . 1 1 56 56 LYS N N 56 118.321 118.321 119.152 -0.831 18226 8309 1 24 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.956 0.214 18226 8310 1 24 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.762 -1.322 18226 8311 1 24 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.808 1.121 18226 8312 1 24 . 1 1 56 56 LYS H H 56 7.717 7.717 7.925 -0.208 18226 8313 1 24 . 1 1 57 57 LYS N N 57 118.349 118.349 116.271 2.078 18226 8314 1 24 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.177 0.112 18226 8315 1 24 . 1 1 57 57 LYS C C 57 176.891 176.891 176.988 -0.097 18226 8316 1 24 . 1 1 57 57 LYS CA C 57 56.373 56.373 56.243 0.130 18226 8317 1 24 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.924 -0.060 18226 8318 1 24 . 1 1 57 57 LYS H H 57 7.872 7.872 7.397 0.475 18226 8319 1 24 . 1 1 58 58 GLY N N 58 107.442 107.442 109.048 -1.606 18226 8320 1 24 . 1 1 58 58 GLY C C 58 173.263 173.263 173.798 -0.535 18226 8321 1 24 . 1 1 58 58 GLY CA C 58 45.557 45.557 45.396 0.161 18226 8322 1 24 . 1 1 58 58 GLY H H 58 8.060 8.060 7.792 0.268 18226 8323 1 24 . 1 1 59 59 HIS N N 59 116.928 116.928 122.918 -5.990 18226 8324 1 24 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.100 0.568 18226 8325 1 24 . 1 1 59 59 HIS C C 59 173.935 173.935 174.584 -0.649 18226 8326 1 24 . 1 1 59 59 HIS CA C 59 55.085 55.085 57.726 -2.641 18226 8327 1 24 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.697 -0.474 18226 8328 1 24 . 1 1 59 59 HIS H H 59 8.076 8.076 8.457 -0.381 18226 8329 1 24 . 1 1 60 60 HIS N N 60 119.187 119.187 115.721 3.466 18226 8330 1 24 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.183 0.488 18226 8331 1 24 . 1 1 60 60 HIS C C 60 173.926 173.926 174.365 -0.439 18226 8332 1 24 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.762 -1.333 18226 8333 1 24 . 1 1 60 60 HIS CB C 60 29.157 29.157 29.880 -0.723 18226 8334 1 24 . 1 1 60 60 HIS H H 60 8.547 8.547 7.659 0.888 18226 8335 1 24 . 1 1 61 61 HIS N N 61 120.017 120.017 116.090 3.927 18226 8336 1 24 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.204 0.463 18226 8337 1 24 . 1 1 61 61 HIS C C 61 173.994 173.994 174.424 -0.430 18226 8338 1 24 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.871 -1.438 18226 8339 1 24 . 1 1 61 61 HIS CB C 61 29.201 29.201 27.674 1.527 18226 8340 1 24 . 1 1 61 61 HIS H H 61 8.662 8.662 7.643 1.019 18226 8341 1 24 . 1 1 62 62 HIS N N 62 120.463 120.463 116.710 3.753 18226 8342 1 24 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.427 0.230 18226 8343 1 24 . 1 1 62 62 HIS C C 62 173.939 173.939 174.308 -0.369 18226 8344 1 24 . 1 1 62 62 HIS CA C 62 55.376 55.376 56.370 -0.994 18226 8345 1 24 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.197 -0.906 18226 8346 1 24 . 1 1 62 62 HIS H H 62 8.729 8.729 7.843 0.886 18226 8347 1 24 . 1 1 63 63 HIS N N 63 120.370 120.370 118.217 2.153 18226 8348 1 24 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.777 -0.119 18226 8349 1 24 . 1 1 63 63 HIS C C 63 173.564 173.564 175.432 -1.868 18226 8350 1 24 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.322 0.286 18226 8351 1 24 . 1 1 63 63 HIS CB C 63 29.365 29.365 29.967 -0.602 18226 8352 1 24 . 1 1 63 63 HIS H H 63 8.619 8.619 7.955 0.664 18226 8353 1 25 . 1 1 2 2 GLU N N 2 123.545 123.545 119.450 4.095 18226 8354 1 25 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.464 -0.078 18226 8355 1 25 . 1 1 2 2 GLU C C 2 175.742 175.742 176.376 -0.634 18226 8356 1 25 . 1 1 2 2 GLU CA C 2 56.363 56.363 57.055 -0.692 18226 8357 1 25 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.411 -0.656 18226 8358 1 25 . 1 1 2 2 GLU H H 2 8.765 8.765 8.613 0.152 18226 8359 1 25 . 1 1 3 3 GLU N N 3 122.227 122.227 117.506 4.721 18226 8360 1 25 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.563 -0.230 18226 8361 1 25 . 1 1 3 3 GLU C C 3 176.636 176.636 176.457 0.179 18226 8362 1 25 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.867 -0.379 18226 8363 1 25 . 1 1 3 3 GLU CB C 3 29.757 29.757 31.868 -2.111 18226 8364 1 25 . 1 1 3 3 GLU H H 3 8.550 8.550 8.369 0.181 18226 8365 1 25 . 1 1 4 4 GLY N N 4 110.108 110.108 107.550 2.558 18226 8366 1 25 . 1 1 4 4 GLY C C 4 174.548 174.548 174.402 0.146 18226 8367 1 25 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.138 0.337 18226 8368 1 25 . 1 1 4 4 GLY H H 4 8.453 8.453 8.210 0.243 18226 8369 1 25 . 1 1 5 5 GLY N N 5 108.466 108.466 111.271 -2.805 18226 8370 1 25 . 1 1 5 5 GLY C C 5 173.790 173.790 174.815 -1.025 18226 8371 1 25 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.767 -0.403 18226 8372 1 25 . 1 1 5 5 GLY H H 5 8.168 8.168 8.157 0.011 18226 8373 1 25 . 1 1 6 6 ASP N N 6 119.764 119.764 122.195 -2.431 18226 8374 1 25 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.515 0.068 18226 8375 1 25 . 1 1 6 6 ASP C C 6 175.811 175.811 177.446 -1.635 18226 8376 1 25 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.634 -0.642 18226 8377 1 25 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.147 -0.890 18226 8378 1 25 . 1 1 6 6 ASP H H 6 8.187 8.187 8.143 0.044 18226 8379 1 25 . 1 1 7 7 PHE N N 7 119.941 119.941 119.957 -0.016 18226 8380 1 25 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.183 0.383 18226 8381 1 25 . 1 1 7 7 PHE C C 7 175.636 175.636 174.382 1.254 18226 8382 1 25 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.578 -0.507 18226 8383 1 25 . 1 1 7 7 PHE CB C 7 39.319 39.319 37.465 1.854 18226 8384 1 25 . 1 1 7 7 PHE H H 7 8.103 8.103 8.037 0.066 18226 8385 1 25 . 1 1 8 8 ASP N N 8 120.418 120.418 117.867 2.551 18226 8386 1 25 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.318 0.219 18226 8387 1 25 . 1 1 8 8 ASP C C 8 175.548 175.548 175.369 0.179 18226 8388 1 25 . 1 1 8 8 ASP CA C 8 54.373 54.373 55.628 -1.255 18226 8389 1 25 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.772 -0.386 18226 8390 1 25 . 1 1 8 8 ASP H H 8 8.177 8.177 8.407 -0.230 18226 8391 1 25 . 1 1 9 9 ASN N N 9 118.260 118.260 118.246 0.014 18226 8392 1 25 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.800 -0.213 18226 8393 1 25 . 1 1 9 9 ASN C C 9 174.782 174.782 174.815 -0.033 18226 8394 1 25 . 1 1 9 9 ASN CA C 9 53.397 53.397 52.181 1.216 18226 8395 1 25 . 1 1 9 9 ASN CB C 9 38.762 38.762 38.193 0.569 18226 8396 1 25 . 1 1 9 9 ASN H H 9 8.057 8.057 8.396 -0.339 18226 8397 1 25 . 1 1 10 10 TYR N N 10 120.145 120.145 116.363 3.782 18226 8398 1 25 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.190 0.249 18226 8399 1 25 . 1 1 10 10 TYR C C 10 175.520 175.520 174.511 1.009 18226 8400 1 25 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.077 -0.708 18226 8401 1 25 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.122 1.627 18226 8402 1 25 . 1 1 10 10 TYR H H 10 7.951 7.951 8.256 -0.305 18226 8403 1 25 . 1 1 11 11 TYR N N 11 121.223 121.223 122.417 -1.194 18226 8404 1 25 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.673 -0.173 18226 8405 1 25 . 1 1 11 11 TYR C C 11 175.974 175.974 176.713 -0.739 18226 8406 1 25 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.741 0.332 18226 8407 1 25 . 1 1 11 11 TYR CB C 11 38.671 38.671 38.120 0.551 18226 8408 1 25 . 1 1 11 11 TYR H H 11 7.971 7.971 7.897 0.074 18226 8409 1 25 . 1 1 12 12 GLY N N 12 109.861 109.861 108.262 1.599 18226 8410 1 25 . 1 1 12 12 GLY C C 12 173.775 173.775 173.208 0.567 18226 8411 1 25 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.244 0.136 18226 8412 1 25 . 1 1 12 12 GLY H H 12 7.769 7.769 8.054 -0.285 18226 8413 1 25 . 1 1 13 13 ALA N N 13 123.378 123.378 122.872 0.506 18226 8414 1 25 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.214 0.088 18226 8415 1 25 . 1 1 13 13 ALA C C 13 177.509 177.509 174.593 2.916 18226 8416 1 25 . 1 1 13 13 ALA CA C 13 52.627 52.627 51.871 0.756 18226 8417 1 25 . 1 1 13 13 ALA CB C 13 19.444 19.444 21.089 -1.645 18226 8418 1 25 . 1 1 13 13 ALA H H 13 7.975 7.975 7.702 0.273 18226 8419 1 25 . 1 1 14 14 ASP N N 14 118.494 118.494 123.454 -4.960 18226 8420 1 25 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.879 -0.245 18226 8421 1 25 . 1 1 14 14 ASP C C 14 175.747 175.747 175.617 0.130 18226 8422 1 25 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.169 -0.167 18226 8423 1 25 . 1 1 14 14 ASP CB C 14 40.162 40.162 42.493 -2.332 18226 8424 1 25 . 1 1 14 14 ASP H H 14 8.307 8.307 9.480 -1.173 18226 8425 1 25 . 1 1 15 15 ASN N N 15 118.834 118.834 115.162 3.672 18226 8426 1 25 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.477 0.185 18226 8427 1 25 . 1 1 15 15 ASN C C 15 175.258 175.258 175.963 -0.705 18226 8428 1 25 . 1 1 15 15 ASN CA C 15 53.515 53.515 54.493 -0.978 18226 8429 1 25 . 1 1 15 15 ASN CB C 15 38.757 38.757 37.304 1.453 18226 8430 1 25 . 1 1 15 15 ASN H H 15 8.221 8.221 8.744 -0.523 18226 8431 1 25 . 1 1 16 16 GLN N N 16 120.413 120.413 116.910 3.503 18226 8432 1 25 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.111 0.244 18226 8433 1 25 . 1 1 16 16 GLN C C 16 176.096 176.096 176.180 -0.084 18226 8434 1 25 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.897 -1.657 18226 8435 1 25 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.139 1.232 18226 8436 1 25 . 1 1 16 16 GLN H H 16 8.295 8.295 8.301 -0.006 18226 8437 1 25 . 1 1 17 17 SER N N 17 116.692 116.692 111.683 5.009 18226 8438 1 25 . 1 1 17 17 SER HA H 17 4.428 4.428 4.529 -0.101 18226 8439 1 25 . 1 1 17 17 SER C C 17 174.523 174.523 172.469 2.054 18226 8440 1 25 . 1 1 17 17 SER CA C 17 58.683 58.683 58.698 -0.015 18226 8441 1 25 . 1 1 17 17 SER CB C 17 63.794 63.794 63.235 0.559 18226 8442 1 25 . 1 1 17 17 SER H H 17 8.267 8.267 7.844 0.423 18226 8443 1 25 . 1 1 18 18 GLU N N 18 122.142 122.142 119.891 2.251 18226 8444 1 25 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.604 -0.241 18226 8445 1 25 . 1 1 18 18 GLU C C 18 175.937 175.937 175.125 0.812 18226 8446 1 25 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.572 -0.267 18226 8447 1 25 . 1 1 18 18 GLU CB C 18 29.506 29.506 31.628 -2.122 18226 8448 1 25 . 1 1 18 18 GLU H H 18 8.330 8.330 8.110 0.220 18226 8449 1 25 . 1 1 19 19 CYS N N 19 120.077 120.077 121.533 -1.456 18226 8450 1 25 . 1 1 19 19 CYS HA H 19 4.432 4.432 5.043 -0.611 18226 8451 1 25 . 1 1 19 19 CYS C C 19 174.442 174.442 174.400 0.042 18226 8452 1 25 . 1 1 19 19 CYS CA C 19 58.613 58.613 59.516 -0.903 18226 8453 1 25 . 1 1 19 19 CYS CB C 19 27.999 27.999 29.633 -1.634 18226 8454 1 25 . 1 1 19 19 CYS H H 19 8.276 8.276 8.678 -0.402 18226 8455 1 25 . 1 1 20 20 GLU N N 20 123.369 123.369 122.202 1.167 18226 8456 1 25 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.304 -0.001 18226 8457 1 25 . 1 1 20 20 GLU C C 20 175.858 175.858 175.163 0.695 18226 8458 1 25 . 1 1 20 20 GLU CA C 20 56.457 56.457 57.272 -0.814 18226 8459 1 25 . 1 1 20 20 GLU CB C 20 29.150 29.150 27.634 1.516 18226 8460 1 25 . 1 1 20 20 GLU H H 20 8.400 8.400 8.603 -0.203 18226 8461 1 25 . 1 1 21 21 TYR N N 21 119.980 119.980 121.018 -1.038 18226 8462 1 25 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.646 -0.102 18226 8463 1 25 . 1 1 21 21 TYR C C 21 175.669 175.669 175.066 0.603 18226 8464 1 25 . 1 1 21 21 TYR CA C 21 58.103 58.103 57.444 0.659 18226 8465 1 25 . 1 1 21 21 TYR CB C 21 38.677 38.677 38.970 -0.293 18226 8466 1 25 . 1 1 21 21 TYR H H 21 7.991 7.991 8.151 -0.160 18226 8467 1 25 . 1 1 22 22 THR N N 22 113.984 113.984 111.410 2.574 18226 8468 1 25 . 1 1 22 22 THR HA H 22 4.164 4.164 4.270 -0.106 18226 8469 1 25 . 1 1 22 22 THR C C 22 174.259 174.259 172.945 1.314 18226 8470 1 25 . 1 1 22 22 THR CA C 22 62.381 62.381 63.634 -1.253 18226 8471 1 25 . 1 1 22 22 THR CB C 22 69.551 69.551 67.592 1.959 18226 8472 1 25 . 1 1 22 22 THR H H 22 7.821 7.821 8.228 -0.407 18226 8473 1 25 . 1 1 23 23 ASP N N 23 121.930 121.930 120.955 0.975 18226 8474 1 25 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.752 -0.081 18226 8475 1 25 . 1 1 23 23 ASP C C 23 176.164 176.164 177.859 -1.695 18226 8476 1 25 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.468 -0.787 18226 8477 1 25 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.815 -2.209 18226 8478 1 25 . 1 1 23 23 ASP H H 23 8.106 8.106 8.059 0.047 18226 8479 1 25 . 1 1 24 24 TRP N N 24 121.947 121.947 122.010 -0.063 18226 8480 1 25 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.356 0.126 18226 8481 1 25 . 1 1 24 24 TRP C C 24 176.496 176.496 175.094 1.402 18226 8482 1 25 . 1 1 24 24 TRP CA C 24 58.238 58.238 58.905 -0.667 18226 8483 1 25 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.362 0.827 18226 8484 1 25 . 1 1 24 24 TRP H H 24 7.991 7.991 7.903 0.088 18226 8485 1 25 . 1 1 25 25 LYS N N 25 119.673 119.673 113.085 6.588 18226 8486 1 25 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.136 -0.147 18226 8487 1 25 . 1 1 25 25 LYS C C 25 176.770 176.770 175.515 1.255 18226 8488 1 25 . 1 1 25 25 LYS CA C 25 57.467 57.467 54.887 2.580 18226 8489 1 25 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.903 0.050 18226 8490 1 25 . 1 1 25 25 LYS H H 25 7.588 7.588 7.342 0.246 18226 8491 1 25 . 1 1 26 26 SER N N 26 114.157 114.157 115.935 -1.778 18226 8492 1 25 . 1 1 26 26 SER HA H 26 4.462 4.462 4.061 0.401 18226 8493 1 25 . 1 1 26 26 SER C C 26 175.126 175.126 174.499 0.627 18226 8494 1 25 . 1 1 26 26 SER CA C 26 58.673 58.673 59.358 -0.685 18226 8495 1 25 . 1 1 26 26 SER CB C 26 63.801 63.801 61.843 1.958 18226 8496 1 25 . 1 1 26 26 SER H H 26 7.823 7.823 8.146 -0.323 18226 8497 1 25 . 1 1 27 27 SER N N 27 117.353 117.353 114.457 2.896 18226 8498 1 25 . 1 1 27 27 SER HA H 27 4.288 4.288 4.636 -0.348 18226 8499 1 25 . 1 1 27 27 SER C C 27 175.598 175.598 174.306 1.292 18226 8500 1 25 . 1 1 27 27 SER CA C 27 60.216 60.216 58.066 2.150 18226 8501 1 25 . 1 1 27 27 SER CB C 27 63.684 63.684 63.869 -0.185 18226 8502 1 25 . 1 1 27 27 SER H H 27 8.178 8.178 8.137 0.041 18226 8503 1 25 . 1 1 28 28 GLY N N 28 110.249 110.249 108.284 1.965 18226 8504 1 25 . 1 1 28 28 GLY C C 28 174.667 174.667 173.111 1.556 18226 8505 1 25 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.870 0.406 18226 8506 1 25 . 1 1 28 28 GLY H H 28 8.359 8.359 8.294 0.065 18226 8507 1 25 . 1 1 29 29 ALA N N 29 121.959 121.959 121.784 0.175 18226 8508 1 25 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.516 -0.188 18226 8509 1 25 . 1 1 29 29 ALA C C 29 177.873 177.873 176.724 1.149 18226 8510 1 25 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.398 -0.137 18226 8511 1 25 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.575 0.062 18226 8512 1 25 . 1 1 29 29 ALA H H 29 7.931 7.931 7.735 0.196 18226 8513 1 25 . 1 1 30 30 LEU N N 30 117.460 117.460 118.944 -1.484 18226 8514 1 25 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.463 -0.255 18226 8515 1 25 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.580 1.812 18226 8516 1 25 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.610 -0.005 18226 8517 1 25 . 1 1 30 30 LEU H H 30 7.924 7.924 7.818 0.106 18226 8518 1 25 . 1 1 31 31 ILE N N 31 117.379 117.379 119.892 -2.513 18226 8519 1 25 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.423 -0.500 18226 8520 1 25 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.654 2.357 18226 8521 1 25 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.338 -1.115 18226 8522 1 25 . 1 1 31 31 ILE H H 31 8.100 8.100 7.930 0.170 18226 8523 1 25 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.596 -0.278 18226 8524 1 25 . 1 1 32 32 PRO C C 32 178.706 178.706 175.794 2.912 18226 8525 1 25 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.259 2.772 18226 8526 1 25 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.410 0.857 18226 8527 1 25 . 1 1 33 33 ALA N N 33 119.040 119.040 121.149 -2.109 18226 8528 1 25 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.503 -0.308 18226 8529 1 25 . 1 1 33 33 ALA C C 33 179.052 179.052 176.818 2.234 18226 8530 1 25 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.224 3.169 18226 8531 1 25 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.111 -1.580 18226 8532 1 25 . 1 1 33 33 ALA H H 33 7.462 7.462 8.133 -0.671 18226 8533 1 25 . 1 1 34 34 ILE N N 34 118.037 118.037 112.524 5.513 18226 8534 1 25 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.279 -0.557 18226 8535 1 25 . 1 1 34 34 ILE C C 34 177.827 177.827 176.480 1.347 18226 8536 1 25 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.019 3.004 18226 8537 1 25 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.218 -1.877 18226 8538 1 25 . 1 1 34 34 ILE H H 34 8.176 8.176 7.446 0.730 18226 8539 1 25 . 1 1 35 35 TYR N N 35 118.783 118.783 120.636 -1.853 18226 8540 1 25 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.477 -0.332 18226 8541 1 25 . 1 1 35 35 TYR C C 35 178.062 178.062 176.471 1.591 18226 8542 1 25 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.746 0.802 18226 8543 1 25 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.205 -0.463 18226 8544 1 25 . 1 1 35 35 TYR H H 35 8.306 8.306 7.804 0.502 18226 8545 1 25 . 1 1 36 36 MET N N 36 118.068 118.068 116.046 2.022 18226 8546 1 25 . 1 1 36 36 MET HA H 36 4.317 4.317 4.669 -0.352 18226 8547 1 25 . 1 1 36 36 MET C C 36 178.183 178.183 177.351 0.832 18226 8548 1 25 . 1 1 36 36 MET CA C 36 58.533 58.533 56.069 2.464 18226 8549 1 25 . 1 1 36 36 MET CB C 36 32.288 32.288 32.457 -0.169 18226 8550 1 25 . 1 1 36 36 MET H H 36 8.090 8.090 7.821 0.269 18226 8551 1 25 . 1 1 37 37 LEU N N 37 120.316 120.316 120.639 -0.323 18226 8552 1 25 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.146 -0.031 18226 8553 1 25 . 1 1 37 37 LEU C C 37 178.353 178.353 177.505 0.848 18226 8554 1 25 . 1 1 37 37 LEU CA C 37 58.330 58.330 57.776 0.554 18226 8555 1 25 . 1 1 37 37 LEU CB C 37 41.914 41.914 40.783 1.131 18226 8556 1 25 . 1 1 37 37 LEU H H 37 8.106 8.106 8.361 -0.255 18226 8557 1 25 . 1 1 38 38 VAL N N 38 118.385 118.385 115.595 2.790 18226 8558 1 25 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.023 -0.494 18226 8559 1 25 . 1 1 38 38 VAL C C 38 178.216 178.216 177.127 1.089 18226 8560 1 25 . 1 1 38 38 VAL CA C 38 67.042 67.042 64.150 2.892 18226 8561 1 25 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.216 -0.591 18226 8562 1 25 . 1 1 38 38 VAL H H 38 8.305 8.305 7.380 0.925 18226 8563 1 25 . 1 1 39 39 PHE N N 39 120.216 120.216 120.226 -0.010 18226 8564 1 25 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.277 -0.016 18226 8565 1 25 . 1 1 39 39 PHE C C 39 178.597 178.597 176.004 2.593 18226 8566 1 25 . 1 1 39 39 PHE CA C 39 61.320 61.320 61.750 -0.430 18226 8567 1 25 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.620 -0.731 18226 8568 1 25 . 1 1 39 39 PHE H H 39 8.196 8.196 8.375 -0.179 18226 8569 1 25 . 1 1 40 40 LEU N N 40 120.772 120.772 117.693 3.079 18226 8570 1 25 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.553 -0.503 18226 8571 1 25 . 1 1 40 40 LEU C C 40 179.666 179.666 175.374 4.292 18226 8572 1 25 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.030 3.876 18226 8573 1 25 . 1 1 40 40 LEU CB C 40 42.340 42.340 42.119 0.221 18226 8574 1 25 . 1 1 40 40 LEU H H 40 8.452 8.452 7.799 0.653 18226 8575 1 25 . 1 1 41 41 LEU N N 41 119.185 119.185 120.614 -1.429 18226 8576 1 25 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.648 -0.549 18226 8577 1 25 . 1 1 41 41 LEU C C 41 178.878 178.878 177.155 1.723 18226 8578 1 25 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.977 1.409 18226 8579 1 25 . 1 1 41 41 LEU CB C 41 41.855 41.855 44.941 -3.086 18226 8580 1 25 . 1 1 41 41 LEU H H 41 8.435 8.435 7.736 0.699 18226 8581 1 25 . 1 1 42 42 GLY N N 42 105.718 105.718 105.569 0.149 18226 8582 1 25 . 1 1 42 42 GLY C C 42 174.908 174.908 174.160 0.748 18226 8583 1 25 . 1 1 42 42 GLY CA C 42 46.642 46.642 45.502 1.140 18226 8584 1 25 . 1 1 42 42 GLY H H 42 8.208 8.208 7.813 0.395 18226 8585 1 25 . 1 1 43 43 THR N N 43 111.959 111.959 112.277 -0.318 18226 8586 1 25 . 1 1 43 43 THR HA H 43 4.348 4.348 4.295 0.053 18226 8587 1 25 . 1 1 43 43 THR C C 43 175.665 175.665 175.512 0.153 18226 8588 1 25 . 1 1 43 43 THR CA C 43 63.097 63.097 62.315 0.782 18226 8589 1 25 . 1 1 43 43 THR CB C 43 69.867 69.867 69.132 0.735 18226 8590 1 25 . 1 1 43 43 THR H H 43 7.789 7.789 7.428 0.361 18226 8591 1 25 . 1 1 44 44 THR N N 44 113.271 113.271 116.312 -3.041 18226 8592 1 25 . 1 1 44 44 THR HA H 44 4.308 4.308 4.132 0.176 18226 8593 1 25 . 1 1 44 44 THR C C 44 175.754 175.754 175.550 0.204 18226 8594 1 25 . 1 1 44 44 THR CA C 44 63.194 63.194 65.136 -1.942 18226 8595 1 25 . 1 1 44 44 THR CB C 44 70.171 70.171 68.620 1.551 18226 8596 1 25 . 1 1 44 44 THR H H 44 7.833 7.833 8.385 -0.552 18226 8597 1 25 . 1 1 45 45 GLY N N 45 109.879 109.879 107.011 2.868 18226 8598 1 25 . 1 1 45 45 GLY C C 45 175.221 175.221 174.811 0.410 18226 8599 1 25 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.126 1.413 18226 8600 1 25 . 1 1 45 45 GLY H H 45 8.259 8.259 8.100 0.159 18226 8601 1 25 . 1 1 46 46 ASN N N 46 117.998 117.998 119.283 -1.285 18226 8602 1 25 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.649 -0.037 18226 8603 1 25 . 1 1 46 46 ASN C C 46 176.215 176.215 176.908 -0.693 18226 8604 1 25 . 1 1 46 46 ASN CA C 46 54.840 54.840 54.283 0.557 18226 8605 1 25 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.173 0.393 18226 8606 1 25 . 1 1 46 46 ASN H H 46 8.235 8.235 8.487 -0.252 18226 8607 1 25 . 1 1 47 47 GLY N N 47 106.990 106.990 106.468 0.522 18226 8608 1 25 . 1 1 47 47 GLY C C 47 174.659 174.659 175.359 -0.700 18226 8609 1 25 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.495 1.484 18226 8610 1 25 . 1 1 47 47 GLY H H 47 8.425 8.425 8.350 0.075 18226 8611 1 25 . 1 1 48 48 LEU N N 48 120.699 120.699 116.088 4.611 18226 8612 1 25 . 1 1 48 48 LEU HA H 48 4.300 4.300 5.021 -0.721 18226 8613 1 25 . 1 1 48 48 LEU C C 48 179.482 179.482 176.146 3.336 18226 8614 1 25 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.258 2.187 18226 8615 1 25 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.541 -0.975 18226 8616 1 25 . 1 1 48 48 LEU H H 48 7.956 7.956 7.683 0.273 18226 8617 1 25 . 1 1 49 49 VAL N N 49 120.101 120.101 118.294 1.807 18226 8618 1 25 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.149 -0.270 18226 8619 1 25 . 1 1 49 49 VAL C C 49 177.535 177.535 175.630 1.905 18226 8620 1 25 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.637 2.225 18226 8621 1 25 . 1 1 49 49 VAL CB C 49 31.779 31.779 33.745 -1.966 18226 8622 1 25 . 1 1 49 49 VAL H H 49 7.919 7.919 7.694 0.225 18226 8623 1 25 . 1 1 50 50 LEU N N 50 119.268 119.268 119.891 -0.623 18226 8624 1 25 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.482 -0.439 18226 8625 1 25 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.680 1.165 18226 8626 1 25 . 1 1 50 50 LEU CB C 50 41.877 41.877 43.840 -1.963 18226 8627 1 25 . 1 1 50 50 LEU H H 50 7.731 7.731 7.684 0.047 18226 8628 1 25 . 1 1 51 51 TRP N N 51 118.033 118.033 121.745 -3.712 18226 8629 1 25 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.181 0.411 18226 8630 1 25 . 1 1 51 51 TRP C C 51 177.302 177.302 177.453 -0.151 18226 8631 1 25 . 1 1 51 51 TRP CA C 51 59.789 59.789 60.804 -1.015 18226 8632 1 25 . 1 1 51 51 TRP CB C 51 30.207 30.207 28.583 1.624 18226 8633 1 25 . 1 1 51 51 TRP H H 51 8.070 8.070 7.970 0.100 18226 8634 1 25 . 1 1 52 52 THR N N 52 113.014 113.014 115.926 -2.912 18226 8635 1 25 . 1 1 52 52 THR HA H 52 3.746 3.746 3.245 0.501 18226 8636 1 25 . 1 1 52 52 THR C C 52 176.361 176.361 175.505 0.856 18226 8637 1 25 . 1 1 52 52 THR CA C 52 66.443 66.443 65.614 0.829 18226 8638 1 25 . 1 1 52 52 THR CB C 52 69.017 69.017 68.235 0.782 18226 8639 1 25 . 1 1 52 52 THR H H 52 8.101 8.101 7.467 0.634 18226 8640 1 25 . 1 1 53 53 VAL N N 53 120.231 120.231 120.769 -0.538 18226 8641 1 25 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.488 0.190 18226 8642 1 25 . 1 1 53 53 VAL C C 53 177.482 177.482 177.298 0.184 18226 8643 1 25 . 1 1 53 53 VAL CA C 53 66.158 66.158 65.905 0.253 18226 8644 1 25 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.580 0.187 18226 8645 1 25 . 1 1 53 53 VAL H H 53 7.905 7.905 8.374 -0.469 18226 8646 1 25 . 1 1 54 54 PHE N N 54 118.609 118.609 116.058 2.551 18226 8647 1 25 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.279 -0.046 18226 8648 1 25 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.466 2.200 18226 8649 1 25 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.425 0.833 18226 8650 1 25 . 1 1 54 54 PHE H H 54 8.025 8.025 7.354 0.671 18226 8651 1 25 . 1 1 55 55 ARG N N 55 117.305 117.305 118.347 -1.042 18226 8652 1 25 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.246 -0.438 18226 8653 1 25 . 1 1 55 55 ARG CA C 55 57.710 57.710 56.549 1.161 18226 8654 1 25 . 1 1 55 55 ARG CB C 55 29.663 29.663 32.207 -2.544 18226 8655 1 25 . 1 1 55 55 ARG H H 55 8.025 8.025 7.978 0.047 18226 8656 1 25 . 1 1 56 56 LYS N N 56 118.321 118.321 120.780 -2.459 18226 8657 1 25 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.479 0.691 18226 8658 1 25 . 1 1 56 56 LYS CA C 56 57.440 57.440 59.090 -1.650 18226 8659 1 25 . 1 1 56 56 LYS CB C 56 32.929 32.929 32.067 0.862 18226 8660 1 25 . 1 1 56 56 LYS H H 56 7.717 7.717 8.213 -0.496 18226 8661 1 25 . 1 1 57 57 LYS N N 57 118.349 118.349 115.111 3.238 18226 8662 1 25 . 1 1 57 57 LYS HA H 57 4.289 4.289 3.797 0.492 18226 8663 1 25 . 1 1 57 57 LYS C C 57 176.891 176.891 176.792 0.099 18226 8664 1 25 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.213 -0.840 18226 8665 1 25 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.458 0.406 18226 8666 1 25 . 1 1 57 57 LYS H H 57 7.872 7.872 7.532 0.340 18226 8667 1 25 . 1 1 58 58 GLY N N 58 107.442 107.442 106.834 0.608 18226 8668 1 25 . 1 1 58 58 GLY C C 58 173.263 173.263 172.087 1.176 18226 8669 1 25 . 1 1 58 58 GLY CA C 58 45.557 45.557 45.376 0.181 18226 8670 1 25 . 1 1 58 58 GLY H H 58 8.060 8.060 7.822 0.238 18226 8671 1 25 . 1 1 59 59 HIS N N 59 116.928 116.928 119.071 -2.143 18226 8672 1 25 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.593 0.075 18226 8673 1 25 . 1 1 59 59 HIS C C 59 173.935 173.935 174.008 -0.073 18226 8674 1 25 . 1 1 59 59 HIS CA C 59 55.085 55.085 56.308 -1.223 18226 8675 1 25 . 1 1 59 59 HIS CB C 59 29.223 29.223 30.733 -1.510 18226 8676 1 25 . 1 1 59 59 HIS H H 59 8.076 8.076 8.544 -0.468 18226 8677 1 25 . 1 1 60 60 HIS N N 60 119.187 119.187 119.123 0.064 18226 8678 1 25 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.662 0.009 18226 8679 1 25 . 1 1 60 60 HIS C C 60 173.926 173.926 174.073 -0.147 18226 8680 1 25 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.015 -0.586 18226 8681 1 25 . 1 1 60 60 HIS CB C 60 29.157 29.157 30.095 -0.938 18226 8682 1 25 . 1 1 60 60 HIS H H 60 8.547 8.547 7.713 0.834 18226 8683 1 25 . 1 1 61 61 HIS N N 61 120.017 120.017 118.981 1.036 18226 8684 1 25 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.265 0.402 18226 8685 1 25 . 1 1 61 61 HIS C C 61 173.994 173.994 173.508 0.486 18226 8686 1 25 . 1 1 61 61 HIS CA C 61 55.433 55.433 57.219 -1.786 18226 8687 1 25 . 1 1 61 61 HIS CB C 61 29.201 29.201 28.643 0.558 18226 8688 1 25 . 1 1 61 61 HIS H H 61 8.662 8.662 8.084 0.578 18226 8689 1 25 . 1 1 62 62 HIS N N 62 120.463 120.463 122.058 -1.595 18226 8690 1 25 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.741 -0.084 18226 8691 1 25 . 1 1 62 62 HIS C C 62 173.939 173.939 173.380 0.559 18226 8692 1 25 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.554 -0.178 18226 8693 1 25 . 1 1 62 62 HIS CB C 62 29.291 29.291 32.083 -2.792 18226 8694 1 25 . 1 1 62 62 HIS H H 62 8.729 8.729 8.389 0.340 18226 8695 1 25 . 1 1 63 63 HIS N N 63 120.370 120.370 122.332 -1.962 18226 8696 1 25 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.998 -0.340 18226 8697 1 25 . 1 1 63 63 HIS C C 63 173.564 173.564 174.552 -0.988 18226 8698 1 25 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.029 0.579 18226 8699 1 25 . 1 1 63 63 HIS CB C 63 29.365 29.365 31.815 -2.450 18226 8700 1 25 . 1 1 63 63 HIS H H 63 8.619 8.619 8.686 -0.067 18226 8701 1 26 . 1 1 2 2 GLU N N 2 123.545 123.545 120.992 2.553 18226 8702 1 26 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.141 0.245 18226 8703 1 26 . 1 1 2 2 GLU C C 2 175.742 175.742 175.595 0.147 18226 8704 1 26 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.854 -0.491 18226 8705 1 26 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.496 0.259 18226 8706 1 26 . 1 1 2 2 GLU H H 2 8.765 8.765 8.659 0.106 18226 8707 1 26 . 1 1 3 3 GLU N N 3 122.227 122.227 117.882 4.345 18226 8708 1 26 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.512 -0.179 18226 8709 1 26 . 1 1 3 3 GLU C C 3 176.636 176.636 177.230 -0.594 18226 8710 1 26 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.432 0.056 18226 8711 1 26 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.183 -0.426 18226 8712 1 26 . 1 1 3 3 GLU H H 3 8.550 8.550 8.354 0.196 18226 8713 1 26 . 1 1 4 4 GLY N N 4 110.108 110.108 109.212 0.896 18226 8714 1 26 . 1 1 4 4 GLY C C 4 174.548 174.548 174.150 0.398 18226 8715 1 26 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.352 1.123 18226 8716 1 26 . 1 1 4 4 GLY H H 4 8.453 8.453 7.892 0.561 18226 8717 1 26 . 1 1 5 5 GLY N N 5 108.466 108.466 109.411 -0.945 18226 8718 1 26 . 1 1 5 5 GLY C C 5 173.790 173.790 173.941 -0.151 18226 8719 1 26 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.882 0.482 18226 8720 1 26 . 1 1 5 5 GLY H H 5 8.168 8.168 7.653 0.515 18226 8721 1 26 . 1 1 6 6 ASP N N 6 119.764 119.764 121.258 -1.494 18226 8722 1 26 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.694 -0.111 18226 8723 1 26 . 1 1 6 6 ASP C C 6 175.811 175.811 176.227 -0.416 18226 8724 1 26 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.636 -0.645 18226 8725 1 26 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.644 -1.387 18226 8726 1 26 . 1 1 6 6 ASP H H 6 8.187 8.187 8.539 -0.352 18226 8727 1 26 . 1 1 7 7 PHE N N 7 119.941 119.941 118.465 1.476 18226 8728 1 26 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.198 0.368 18226 8729 1 26 . 1 1 7 7 PHE C C 7 175.636 175.636 174.202 1.434 18226 8730 1 26 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.507 -0.436 18226 8731 1 26 . 1 1 7 7 PHE CB C 7 39.319 39.319 37.908 1.411 18226 8732 1 26 . 1 1 7 7 PHE H H 7 8.103 8.103 8.013 0.090 18226 8733 1 26 . 1 1 8 8 ASP N N 8 120.418 120.418 122.415 -1.997 18226 8734 1 26 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.216 0.321 18226 8735 1 26 . 1 1 8 8 ASP C C 8 175.548 175.548 175.021 0.527 18226 8736 1 26 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.902 -0.529 18226 8737 1 26 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.385 0.001 18226 8738 1 26 . 1 1 8 8 ASP H H 8 8.177 8.177 8.091 0.086 18226 8739 1 26 . 1 1 9 9 ASN N N 9 118.260 118.260 117.458 0.802 18226 8740 1 26 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.557 0.030 18226 8741 1 26 . 1 1 9 9 ASN C C 9 174.782 174.782 174.978 -0.196 18226 8742 1 26 . 1 1 9 9 ASN CA C 9 53.397 53.397 54.720 -1.323 18226 8743 1 26 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.228 -0.466 18226 8744 1 26 . 1 1 9 9 ASN H H 9 8.057 8.057 8.501 -0.444 18226 8745 1 26 . 1 1 10 10 TYR N N 10 120.145 120.145 116.913 3.232 18226 8746 1 26 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.491 -0.052 18226 8747 1 26 . 1 1 10 10 TYR C C 10 175.520 175.520 175.958 -0.438 18226 8748 1 26 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.588 -1.219 18226 8749 1 26 . 1 1 10 10 TYR CB C 10 38.749 38.749 39.403 -0.653 18226 8750 1 26 . 1 1 10 10 TYR H H 10 7.951 7.951 7.866 0.085 18226 8751 1 26 . 1 1 11 11 TYR N N 11 121.223 121.223 119.199 2.024 18226 8752 1 26 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.914 -0.415 18226 8753 1 26 . 1 1 11 11 TYR C C 11 175.974 175.974 175.747 0.227 18226 8754 1 26 . 1 1 11 11 TYR CA C 11 58.073 58.073 56.206 1.867 18226 8755 1 26 . 1 1 11 11 TYR CB C 11 38.671 38.671 37.687 0.984 18226 8756 1 26 . 1 1 11 11 TYR H H 11 7.971 7.971 8.781 -0.810 18226 8757 1 26 . 1 1 12 12 GLY N N 12 109.861 109.861 107.100 2.761 18226 8758 1 26 . 1 1 12 12 GLY C C 12 173.775 173.775 174.089 -0.314 18226 8759 1 26 . 1 1 12 12 GLY CA C 12 45.380 45.380 44.614 0.766 18226 8760 1 26 . 1 1 12 12 GLY H H 12 7.769 7.769 7.973 -0.204 18226 8761 1 26 . 1 1 13 13 ALA N N 13 123.378 123.378 120.384 2.994 18226 8762 1 26 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.422 -0.120 18226 8763 1 26 . 1 1 13 13 ALA C C 13 177.509 177.509 176.019 1.490 18226 8764 1 26 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.443 0.184 18226 8765 1 26 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.787 -0.343 18226 8766 1 26 . 1 1 13 13 ALA H H 13 7.975 7.975 7.928 0.047 18226 8767 1 26 . 1 1 14 14 ASP N N 14 118.494 118.494 118.497 -0.003 18226 8768 1 26 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.608 0.026 18226 8769 1 26 . 1 1 14 14 ASP C C 14 175.747 175.747 174.151 1.596 18226 8770 1 26 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.369 -0.367 18226 8771 1 26 . 1 1 14 14 ASP CB C 14 40.162 40.162 39.735 0.427 18226 8772 1 26 . 1 1 14 14 ASP H H 14 8.307 8.307 8.908 -0.601 18226 8773 1 26 . 1 1 15 15 ASN N N 15 118.834 118.834 117.184 1.650 18226 8774 1 26 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.516 0.146 18226 8775 1 26 . 1 1 15 15 ASN C C 15 175.258 175.258 176.776 -1.518 18226 8776 1 26 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.984 -0.469 18226 8777 1 26 . 1 1 15 15 ASN CB C 15 38.757 38.757 37.786 0.971 18226 8778 1 26 . 1 1 15 15 ASN H H 15 8.221 8.221 8.703 -0.482 18226 8779 1 26 . 1 1 16 16 GLN N N 16 120.413 120.413 122.420 -2.007 18226 8780 1 26 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.198 0.157 18226 8781 1 26 . 1 1 16 16 GLN C C 16 176.096 176.096 174.637 1.459 18226 8782 1 26 . 1 1 16 16 GLN CA C 16 56.240 56.240 55.703 0.537 18226 8783 1 26 . 1 1 16 16 GLN CB C 16 29.370 29.370 26.745 2.625 18226 8784 1 26 . 1 1 16 16 GLN H H 16 8.295 8.295 8.807 -0.512 18226 8785 1 26 . 1 1 17 17 SER N N 17 116.692 116.692 110.629 6.063 18226 8786 1 26 . 1 1 17 17 SER HA H 17 4.428 4.428 4.126 0.302 18226 8787 1 26 . 1 1 17 17 SER C C 17 174.523 174.523 173.864 0.659 18226 8788 1 26 . 1 1 17 17 SER CA C 17 58.683 58.683 58.700 -0.017 18226 8789 1 26 . 1 1 17 17 SER CB C 17 63.794 63.794 62.410 1.384 18226 8790 1 26 . 1 1 17 17 SER H H 17 8.267 8.267 8.045 0.222 18226 8791 1 26 . 1 1 18 18 GLU N N 18 122.142 122.142 119.670 2.472 18226 8792 1 26 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.406 -0.043 18226 8793 1 26 . 1 1 18 18 GLU C C 18 175.937 175.937 176.530 -0.593 18226 8794 1 26 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.729 -0.424 18226 8795 1 26 . 1 1 18 18 GLU CB C 18 29.506 29.506 29.608 -0.102 18226 8796 1 26 . 1 1 18 18 GLU H H 18 8.330 8.330 8.507 -0.177 18226 8797 1 26 . 1 1 19 19 CYS N N 19 120.077 120.077 118.136 1.941 18226 8798 1 26 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.483 -0.051 18226 8799 1 26 . 1 1 19 19 CYS C C 19 174.442 174.442 174.562 -0.120 18226 8800 1 26 . 1 1 19 19 CYS CA C 19 58.613 58.613 57.957 0.656 18226 8801 1 26 . 1 1 19 19 CYS CB C 19 27.999 27.999 28.364 -0.365 18226 8802 1 26 . 1 1 19 19 CYS H H 19 8.276 8.276 7.766 0.510 18226 8803 1 26 . 1 1 20 20 GLU N N 20 123.369 123.369 122.550 0.819 18226 8804 1 26 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.529 -0.226 18226 8805 1 26 . 1 1 20 20 GLU C C 20 175.858 175.858 175.816 0.042 18226 8806 1 26 . 1 1 20 20 GLU CA C 20 56.457 56.457 57.052 -0.595 18226 8807 1 26 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.422 -0.272 18226 8808 1 26 . 1 1 20 20 GLU H H 20 8.400 8.400 8.848 -0.448 18226 8809 1 26 . 1 1 21 21 TYR N N 21 119.980 119.980 119.030 0.950 18226 8810 1 26 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.295 0.249 18226 8811 1 26 . 1 1 21 21 TYR C C 21 175.669 175.669 175.396 0.273 18226 8812 1 26 . 1 1 21 21 TYR CA C 21 58.103 58.103 59.465 -1.361 18226 8813 1 26 . 1 1 21 21 TYR CB C 21 38.677 38.677 36.571 2.106 18226 8814 1 26 . 1 1 21 21 TYR H H 21 7.991 7.991 7.933 0.058 18226 8815 1 26 . 1 1 22 22 THR N N 22 113.984 113.984 112.971 1.013 18226 8816 1 26 . 1 1 22 22 THR HA H 22 4.164 4.164 4.024 0.140 18226 8817 1 26 . 1 1 22 22 THR C C 22 174.259 174.259 174.334 -0.075 18226 8818 1 26 . 1 1 22 22 THR CA C 22 62.381 62.381 63.320 -0.939 18226 8819 1 26 . 1 1 22 22 THR CB C 22 69.551 69.551 68.631 0.920 18226 8820 1 26 . 1 1 22 22 THR H H 22 7.821 7.821 8.614 -0.793 18226 8821 1 26 . 1 1 23 23 ASP N N 23 121.930 121.930 117.884 4.046 18226 8822 1 26 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.882 -0.211 18226 8823 1 26 . 1 1 23 23 ASP C C 23 176.164 176.164 176.367 -0.203 18226 8824 1 26 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.091 -0.410 18226 8825 1 26 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.980 -2.374 18226 8826 1 26 . 1 1 23 23 ASP H H 23 8.106 8.106 8.434 -0.328 18226 8827 1 26 . 1 1 24 24 TRP N N 24 121.947 121.947 118.028 3.919 18226 8828 1 26 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.924 -0.442 18226 8829 1 26 . 1 1 24 24 TRP C C 24 176.496 176.496 175.846 0.650 18226 8830 1 26 . 1 1 24 24 TRP CA C 24 58.238 58.238 58.530 -0.292 18226 8831 1 26 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.668 -0.479 18226 8832 1 26 . 1 1 24 24 TRP H H 24 7.991 7.991 8.232 -0.241 18226 8833 1 26 . 1 1 25 25 LYS N N 25 119.673 119.673 117.334 2.339 18226 8834 1 26 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.041 -0.052 18226 8835 1 26 . 1 1 25 25 LYS C C 25 176.770 176.770 175.355 1.415 18226 8836 1 26 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.833 1.634 18226 8837 1 26 . 1 1 25 25 LYS CB C 25 31.953 31.953 30.733 1.220 18226 8838 1 26 . 1 1 25 25 LYS H H 25 7.588 7.588 7.336 0.252 18226 8839 1 26 . 1 1 26 26 SER N N 26 114.157 114.157 113.695 0.462 18226 8840 1 26 . 1 1 26 26 SER HA H 26 4.462 4.462 4.432 0.030 18226 8841 1 26 . 1 1 26 26 SER C C 26 175.126 175.126 175.436 -0.310 18226 8842 1 26 . 1 1 26 26 SER CA C 26 58.673 58.673 59.104 -0.431 18226 8843 1 26 . 1 1 26 26 SER CB C 26 63.801 63.801 63.990 -0.189 18226 8844 1 26 . 1 1 26 26 SER H H 26 7.823 7.823 7.331 0.492 18226 8845 1 26 . 1 1 27 27 SER N N 27 117.353 117.353 117.427 -0.074 18226 8846 1 26 . 1 1 27 27 SER HA H 27 4.288 4.288 4.410 -0.122 18226 8847 1 26 . 1 1 27 27 SER C C 27 175.598 175.598 174.691 0.907 18226 8848 1 26 . 1 1 27 27 SER CA C 27 60.216 60.216 58.262 1.954 18226 8849 1 26 . 1 1 27 27 SER CB C 27 63.684 63.684 62.710 0.974 18226 8850 1 26 . 1 1 27 27 SER H H 27 8.178 8.178 7.775 0.403 18226 8851 1 26 . 1 1 28 28 GLY N N 28 110.249 110.249 106.959 3.290 18226 8852 1 26 . 1 1 28 28 GLY C C 28 174.667 174.667 173.002 1.665 18226 8853 1 26 . 1 1 28 28 GLY CA C 28 46.276 46.276 44.887 1.389 18226 8854 1 26 . 1 1 28 28 GLY H H 28 8.359 8.359 7.629 0.730 18226 8855 1 26 . 1 1 29 29 ALA N N 29 121.959 121.959 123.288 -1.329 18226 8856 1 26 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.617 -0.289 18226 8857 1 26 . 1 1 29 29 ALA C C 29 177.873 177.873 177.153 0.720 18226 8858 1 26 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.535 0.726 18226 8859 1 26 . 1 1 29 29 ALA CB C 29 19.637 19.637 20.676 -1.039 18226 8860 1 26 . 1 1 29 29 ALA H H 29 7.931 7.931 7.536 0.395 18226 8861 1 26 . 1 1 30 30 LEU N N 30 117.460 117.460 115.165 2.295 18226 8862 1 26 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.592 -0.384 18226 8863 1 26 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.913 1.479 18226 8864 1 26 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.557 0.048 18226 8865 1 26 . 1 1 30 30 LEU H H 30 7.924 7.924 7.749 0.175 18226 8866 1 26 . 1 1 31 31 ILE N N 31 117.379 117.379 122.311 -4.932 18226 8867 1 26 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.160 -0.237 18226 8868 1 26 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.628 2.383 18226 8869 1 26 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.148 -0.925 18226 8870 1 26 . 1 1 31 31 ILE H H 31 8.100 8.100 8.144 -0.044 18226 8871 1 26 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.559 -0.241 18226 8872 1 26 . 1 1 32 32 PRO C C 32 178.706 178.706 175.732 2.974 18226 8873 1 26 . 1 1 32 32 PRO CA C 32 66.031 66.031 62.914 3.117 18226 8874 1 26 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.438 0.829 18226 8875 1 26 . 1 1 33 33 ALA N N 33 119.040 119.040 121.240 -2.200 18226 8876 1 26 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.516 -0.321 18226 8877 1 26 . 1 1 33 33 ALA C C 33 179.052 179.052 176.983 2.069 18226 8878 1 26 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.480 2.913 18226 8879 1 26 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.421 -1.890 18226 8880 1 26 . 1 1 33 33 ALA H H 33 7.462 7.462 7.940 -0.478 18226 8881 1 26 . 1 1 34 34 ILE N N 34 118.037 118.037 113.939 4.098 18226 8882 1 26 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.306 -0.584 18226 8883 1 26 . 1 1 34 34 ILE C C 34 177.827 177.827 176.733 1.094 18226 8884 1 26 . 1 1 34 34 ILE CA C 34 65.023 65.023 61.960 3.063 18226 8885 1 26 . 1 1 34 34 ILE CB C 34 37.341 37.341 38.707 -1.366 18226 8886 1 26 . 1 1 34 34 ILE H H 34 8.176 8.176 7.473 0.703 18226 8887 1 26 . 1 1 35 35 TYR N N 35 118.783 118.783 121.863 -3.080 18226 8888 1 26 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.098 0.047 18226 8889 1 26 . 1 1 35 35 TYR C C 35 178.062 178.062 177.786 0.276 18226 8890 1 26 . 1 1 35 35 TYR CA C 35 61.548 61.548 62.889 -1.341 18226 8891 1 26 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.419 -0.677 18226 8892 1 26 . 1 1 35 35 TYR H H 35 8.306 8.306 7.818 0.488 18226 8893 1 26 . 1 1 36 36 MET N N 36 118.068 118.068 116.864 1.204 18226 8894 1 26 . 1 1 36 36 MET HA H 36 4.317 4.317 4.437 -0.120 18226 8895 1 26 . 1 1 36 36 MET C C 36 178.183 178.183 178.359 -0.176 18226 8896 1 26 . 1 1 36 36 MET CA C 36 58.533 58.533 56.720 1.813 18226 8897 1 26 . 1 1 36 36 MET CB C 36 32.288 32.288 31.119 1.169 18226 8898 1 26 . 1 1 36 36 MET H H 36 8.090 8.090 8.296 -0.206 18226 8899 1 26 . 1 1 37 37 LEU N N 37 120.316 120.316 117.657 2.659 18226 8900 1 26 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.138 -0.023 18226 8901 1 26 . 1 1 37 37 LEU C C 37 178.353 178.353 177.513 0.840 18226 8902 1 26 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.769 1.561 18226 8903 1 26 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.443 0.471 18226 8904 1 26 . 1 1 37 37 LEU H H 37 8.106 8.106 7.987 0.119 18226 8905 1 26 . 1 1 38 38 VAL N N 38 118.385 118.385 115.578 2.807 18226 8906 1 26 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.115 -0.586 18226 8907 1 26 . 1 1 38 38 VAL C C 38 178.216 178.216 177.463 0.753 18226 8908 1 26 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.028 4.014 18226 8909 1 26 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.418 -0.793 18226 8910 1 26 . 1 1 38 38 VAL H H 38 8.305 8.305 7.048 1.257 18226 8911 1 26 . 1 1 39 39 PHE N N 39 120.216 120.216 122.261 -2.045 18226 8912 1 26 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.187 0.074 18226 8913 1 26 . 1 1 39 39 PHE C C 39 178.597 178.597 175.627 2.970 18226 8914 1 26 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.141 -0.821 18226 8915 1 26 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.443 -0.554 18226 8916 1 26 . 1 1 39 39 PHE H H 39 8.196 8.196 8.510 -0.314 18226 8917 1 26 . 1 1 40 40 LEU N N 40 120.772 120.772 117.561 3.211 18226 8918 1 26 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.395 -0.345 18226 8919 1 26 . 1 1 40 40 LEU C C 40 179.666 179.666 175.201 4.465 18226 8920 1 26 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.044 3.862 18226 8921 1 26 . 1 1 40 40 LEU CB C 40 42.340 42.340 42.020 0.320 18226 8922 1 26 . 1 1 40 40 LEU H H 40 8.452 8.452 7.544 0.908 18226 8923 1 26 . 1 1 41 41 LEU N N 41 119.185 119.185 120.754 -1.569 18226 8924 1 26 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.569 -0.470 18226 8925 1 26 . 1 1 41 41 LEU C C 41 178.878 178.878 176.001 2.877 18226 8926 1 26 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.604 0.782 18226 8927 1 26 . 1 1 41 41 LEU CB C 41 41.855 41.855 44.066 -2.211 18226 8928 1 26 . 1 1 41 41 LEU H H 41 8.435 8.435 8.124 0.311 18226 8929 1 26 . 1 1 42 42 GLY N N 42 105.718 105.718 107.140 -1.422 18226 8930 1 26 . 1 1 42 42 GLY C C 42 174.908 174.908 174.345 0.563 18226 8931 1 26 . 1 1 42 42 GLY CA C 42 46.642 46.642 45.857 0.785 18226 8932 1 26 . 1 1 42 42 GLY H H 42 8.208 8.208 7.794 0.414 18226 8933 1 26 . 1 1 43 43 THR N N 43 111.959 111.959 112.530 -0.571 18226 8934 1 26 . 1 1 43 43 THR HA H 43 4.348 4.348 4.283 0.065 18226 8935 1 26 . 1 1 43 43 THR C C 43 175.665 175.665 175.824 -0.159 18226 8936 1 26 . 1 1 43 43 THR CA C 43 63.097 63.097 63.295 -0.198 18226 8937 1 26 . 1 1 43 43 THR CB C 43 69.867 69.867 68.924 0.943 18226 8938 1 26 . 1 1 43 43 THR H H 43 7.789 7.789 7.632 0.157 18226 8939 1 26 . 1 1 44 44 THR N N 44 113.271 113.271 117.905 -4.634 18226 8940 1 26 . 1 1 44 44 THR HA H 44 4.308 4.308 3.976 0.332 18226 8941 1 26 . 1 1 44 44 THR C C 44 175.754 175.754 175.711 0.043 18226 8942 1 26 . 1 1 44 44 THR CA C 44 63.194 63.194 64.852 -1.658 18226 8943 1 26 . 1 1 44 44 THR CB C 44 70.171 70.171 68.790 1.381 18226 8944 1 26 . 1 1 44 44 THR H H 44 7.833 7.833 8.473 -0.640 18226 8945 1 26 . 1 1 45 45 GLY N N 45 109.879 109.879 106.633 3.246 18226 8946 1 26 . 1 1 45 45 GLY C C 45 175.221 175.221 173.137 2.084 18226 8947 1 26 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.517 1.022 18226 8948 1 26 . 1 1 45 45 GLY H H 45 8.259 8.259 8.368 -0.109 18226 8949 1 26 . 1 1 46 46 ASN N N 46 117.998 117.998 116.952 1.046 18226 8950 1 26 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.830 -0.218 18226 8951 1 26 . 1 1 46 46 ASN C C 46 176.215 176.215 175.605 0.610 18226 8952 1 26 . 1 1 46 46 ASN CA C 46 54.840 54.840 52.560 2.280 18226 8953 1 26 . 1 1 46 46 ASN CB C 46 38.566 38.566 37.722 0.844 18226 8954 1 26 . 1 1 46 46 ASN H H 46 8.235 8.235 8.189 0.046 18226 8955 1 26 . 1 1 47 47 GLY N N 47 106.990 106.990 107.138 -0.148 18226 8956 1 26 . 1 1 47 47 GLY C C 47 174.659 174.659 172.642 2.017 18226 8957 1 26 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.171 1.808 18226 8958 1 26 . 1 1 47 47 GLY H H 47 8.425 8.425 8.282 0.143 18226 8959 1 26 . 1 1 48 48 LEU N N 48 120.699 120.699 115.836 4.863 18226 8960 1 26 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.945 -0.645 18226 8961 1 26 . 1 1 48 48 LEU C C 48 179.482 179.482 175.008 4.474 18226 8962 1 26 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.265 2.180 18226 8963 1 26 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.376 -0.810 18226 8964 1 26 . 1 1 48 48 LEU H H 48 7.956 7.956 7.442 0.514 18226 8965 1 26 . 1 1 49 49 VAL N N 49 120.101 120.101 118.866 1.235 18226 8966 1 26 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.173 -0.294 18226 8967 1 26 . 1 1 49 49 VAL C C 49 177.535 177.535 176.393 1.142 18226 8968 1 26 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.505 2.357 18226 8969 1 26 . 1 1 49 49 VAL CB C 49 31.779 31.779 33.290 -1.511 18226 8970 1 26 . 1 1 49 49 VAL H H 49 7.919 7.919 7.673 0.246 18226 8971 1 26 . 1 1 50 50 LEU N N 50 119.268 119.268 116.257 3.011 18226 8972 1 26 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.596 -0.553 18226 8973 1 26 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.854 0.991 18226 8974 1 26 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.675 -0.798 18226 8975 1 26 . 1 1 50 50 LEU H H 50 7.731 7.731 8.155 -0.424 18226 8976 1 26 . 1 1 51 51 TRP N N 51 118.033 118.033 121.407 -3.374 18226 8977 1 26 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.577 0.015 18226 8978 1 26 . 1 1 51 51 TRP C C 51 177.302 177.302 176.358 0.944 18226 8979 1 26 . 1 1 51 51 TRP CA C 51 59.789 59.789 58.590 1.199 18226 8980 1 26 . 1 1 51 51 TRP CB C 51 30.207 30.207 28.920 1.287 18226 8981 1 26 . 1 1 51 51 TRP H H 51 8.070 8.070 8.193 -0.123 18226 8982 1 26 . 1 1 52 52 THR N N 52 113.014 113.014 113.973 -0.959 18226 8983 1 26 . 1 1 52 52 THR HA H 52 3.746 3.746 3.700 0.046 18226 8984 1 26 . 1 1 52 52 THR C C 52 176.361 176.361 175.598 0.763 18226 8985 1 26 . 1 1 52 52 THR CA C 52 66.443 66.443 63.284 3.159 18226 8986 1 26 . 1 1 52 52 THR CB C 52 69.017 69.017 68.393 0.624 18226 8987 1 26 . 1 1 52 52 THR H H 52 8.101 8.101 7.887 0.214 18226 8988 1 26 . 1 1 53 53 VAL N N 53 120.231 120.231 121.230 -0.999 18226 8989 1 26 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.664 0.014 18226 8990 1 26 . 1 1 53 53 VAL C C 53 177.482 177.482 177.118 0.364 18226 8991 1 26 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.751 -0.593 18226 8992 1 26 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.376 0.391 18226 8993 1 26 . 1 1 53 53 VAL H H 53 7.905 7.905 7.196 0.709 18226 8994 1 26 . 1 1 54 54 PHE N N 54 118.609 118.609 118.461 0.148 18226 8995 1 26 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.058 0.175 18226 8996 1 26 . 1 1 54 54 PHE CA C 54 60.666 60.666 60.199 0.467 18226 8997 1 26 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.916 0.342 18226 8998 1 26 . 1 1 54 54 PHE H H 54 8.025 8.025 7.789 0.236 18226 8999 1 26 . 1 1 55 55 ARG N N 55 117.305 117.305 119.104 -1.799 18226 9000 1 26 . 1 1 55 55 ARG HA H 55 3.808 3.808 3.291 0.517 18226 9001 1 26 . 1 1 55 55 ARG CA C 55 57.710 57.710 58.044 -0.334 18226 9002 1 26 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.153 -0.490 18226 9003 1 26 . 1 1 55 55 ARG H H 55 8.025 8.025 7.439 0.586 18226 9004 1 26 . 1 1 56 56 LYS N N 56 118.321 118.321 119.816 -1.495 18226 9005 1 26 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.830 0.340 18226 9006 1 26 . 1 1 56 56 LYS CA C 56 57.440 57.440 59.133 -1.693 18226 9007 1 26 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.978 0.951 18226 9008 1 26 . 1 1 56 56 LYS H H 56 7.717 7.717 7.820 -0.103 18226 9009 1 26 . 1 1 57 57 LYS N N 57 118.349 118.349 116.500 1.849 18226 9010 1 26 . 1 1 57 57 LYS HA H 57 4.289 4.289 3.984 0.305 18226 9011 1 26 . 1 1 57 57 LYS C C 57 176.891 176.891 176.835 0.056 18226 9012 1 26 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.157 -0.784 18226 9013 1 26 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.354 0.510 18226 9014 1 26 . 1 1 57 57 LYS H H 57 7.872 7.872 7.252 0.620 18226 9015 1 26 . 1 1 58 58 GLY N N 58 107.442 107.442 107.760 -0.318 18226 9016 1 26 . 1 1 58 58 GLY C C 58 173.263 173.263 172.922 0.341 18226 9017 1 26 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.534 1.023 18226 9018 1 26 . 1 1 58 58 GLY H H 58 8.060 8.060 7.708 0.352 18226 9019 1 26 . 1 1 59 59 HIS N N 59 116.928 116.928 120.767 -3.839 18226 9020 1 26 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.069 0.599 18226 9021 1 26 . 1 1 59 59 HIS C C 59 173.935 173.935 175.542 -1.607 18226 9022 1 26 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.373 -3.288 18226 9023 1 26 . 1 1 59 59 HIS CB C 59 29.223 29.223 30.090 -0.867 18226 9024 1 26 . 1 1 59 59 HIS H H 59 8.076 8.076 8.599 -0.523 18226 9025 1 26 . 1 1 60 60 HIS N N 60 119.187 119.187 117.217 1.970 18226 9026 1 26 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.204 0.467 18226 9027 1 26 . 1 1 60 60 HIS C C 60 173.926 173.926 175.837 -1.911 18226 9028 1 26 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.394 -0.965 18226 9029 1 26 . 1 1 60 60 HIS CB C 60 29.157 29.157 28.995 0.162 18226 9030 1 26 . 1 1 60 60 HIS H H 60 8.547 8.547 7.594 0.953 18226 9031 1 26 . 1 1 61 61 HIS N N 61 120.017 120.017 119.680 0.337 18226 9032 1 26 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.660 0.007 18226 9033 1 26 . 1 1 61 61 HIS C C 61 173.994 173.994 174.897 -0.903 18226 9034 1 26 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.181 0.252 18226 9035 1 26 . 1 1 61 61 HIS CB C 61 29.201 29.201 28.377 0.824 18226 9036 1 26 . 1 1 61 61 HIS H H 61 8.662 8.662 7.402 1.260 18226 9037 1 26 . 1 1 62 62 HIS N N 62 120.463 120.463 120.476 -0.013 18226 9038 1 26 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.164 0.493 18226 9039 1 26 . 1 1 62 62 HIS C C 62 173.939 173.939 174.868 -0.929 18226 9040 1 26 . 1 1 62 62 HIS CA C 62 55.376 55.376 57.892 -2.516 18226 9041 1 26 . 1 1 62 62 HIS CB C 62 29.291 29.291 29.537 -0.246 18226 9042 1 26 . 1 1 62 62 HIS H H 62 8.729 8.729 7.413 1.316 18226 9043 1 26 . 1 1 63 63 HIS N N 63 120.370 120.370 116.329 4.041 18226 9044 1 26 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.137 0.521 18226 9045 1 26 . 1 1 63 63 HIS C C 63 173.564 173.564 173.888 -0.324 18226 9046 1 26 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.996 -0.388 18226 9047 1 26 . 1 1 63 63 HIS CB C 63 29.365 29.365 28.145 1.220 18226 9048 1 26 . 1 1 63 63 HIS H H 63 8.619 8.619 8.030 0.589 18226 9049 1 27 . 1 1 2 2 GLU N N 2 123.545 123.545 125.024 -1.479 18226 9050 1 27 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.241 0.145 18226 9051 1 27 . 1 1 2 2 GLU C C 2 175.742 175.742 175.753 -0.011 18226 9052 1 27 . 1 1 2 2 GLU CA C 2 56.363 56.363 57.245 -0.882 18226 9053 1 27 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.182 -0.427 18226 9054 1 27 . 1 1 2 2 GLU H H 2 8.765 8.765 8.634 0.131 18226 9055 1 27 . 1 1 3 3 GLU N N 3 122.227 122.227 124.030 -1.803 18226 9056 1 27 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.331 0.002 18226 9057 1 27 . 1 1 3 3 GLU C C 3 176.636 176.636 176.662 -0.026 18226 9058 1 27 . 1 1 3 3 GLU CA C 3 56.488 56.488 57.009 -0.521 18226 9059 1 27 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.223 -0.466 18226 9060 1 27 . 1 1 3 3 GLU H H 3 8.550 8.550 8.918 -0.368 18226 9061 1 27 . 1 1 4 4 GLY N N 4 110.108 110.108 107.626 2.482 18226 9062 1 27 . 1 1 4 4 GLY C C 4 174.548 174.548 174.439 0.109 18226 9063 1 27 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.727 0.748 18226 9064 1 27 . 1 1 4 4 GLY H H 4 8.453 8.453 8.501 -0.048 18226 9065 1 27 . 1 1 5 5 GLY N N 5 108.466 108.466 109.284 -0.818 18226 9066 1 27 . 1 1 5 5 GLY C C 5 173.790 173.790 172.790 1.000 18226 9067 1 27 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.637 0.727 18226 9068 1 27 . 1 1 5 5 GLY H H 5 8.168 8.168 7.960 0.208 18226 9069 1 27 . 1 1 6 6 ASP N N 6 119.764 119.764 119.231 0.533 18226 9070 1 27 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.511 0.072 18226 9071 1 27 . 1 1 6 6 ASP C C 6 175.811 175.811 175.919 -0.108 18226 9072 1 27 . 1 1 6 6 ASP CA C 6 53.992 53.992 53.499 0.493 18226 9073 1 27 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.127 -0.870 18226 9074 1 27 . 1 1 6 6 ASP H H 6 8.187 8.187 7.338 0.849 18226 9075 1 27 . 1 1 7 7 PHE N N 7 119.941 119.941 118.416 1.525 18226 9076 1 27 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.241 0.325 18226 9077 1 27 . 1 1 7 7 PHE C C 7 175.636 175.636 174.564 1.072 18226 9078 1 27 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.408 -0.337 18226 9079 1 27 . 1 1 7 7 PHE CB C 7 39.319 39.319 37.468 1.851 18226 9080 1 27 . 1 1 7 7 PHE H H 7 8.103 8.103 7.497 0.606 18226 9081 1 27 . 1 1 8 8 ASP N N 8 120.418 120.418 119.812 0.606 18226 9082 1 27 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.751 -0.214 18226 9083 1 27 . 1 1 8 8 ASP C C 8 175.548 175.548 175.143 0.405 18226 9084 1 27 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.159 0.214 18226 9085 1 27 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.131 -0.745 18226 9086 1 27 . 1 1 8 8 ASP H H 8 8.177 8.177 8.225 -0.048 18226 9087 1 27 . 1 1 9 9 ASN N N 9 118.260 118.260 119.376 -1.116 18226 9088 1 27 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.799 -0.212 18226 9089 1 27 . 1 1 9 9 ASN C C 9 174.782 174.782 174.334 0.448 18226 9090 1 27 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.539 -0.142 18226 9091 1 27 . 1 1 9 9 ASN CB C 9 38.762 38.762 38.664 0.098 18226 9092 1 27 . 1 1 9 9 ASN H H 9 8.057 8.057 7.889 0.168 18226 9093 1 27 . 1 1 10 10 TYR N N 10 120.145 120.145 122.588 -2.443 18226 9094 1 27 . 1 1 10 10 TYR HA H 10 4.439 4.439 3.697 0.742 18226 9095 1 27 . 1 1 10 10 TYR C C 10 175.520 175.520 173.978 1.542 18226 9096 1 27 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.284 -0.915 18226 9097 1 27 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.102 1.647 18226 9098 1 27 . 1 1 10 10 TYR H H 10 7.951 7.951 8.681 -0.730 18226 9099 1 27 . 1 1 11 11 TYR N N 11 121.223 121.223 110.838 10.385 18226 9100 1 27 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.140 0.359 18226 9101 1 27 . 1 1 11 11 TYR C C 11 175.974 175.974 174.930 1.044 18226 9102 1 27 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.145 -0.072 18226 9103 1 27 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.226 3.445 18226 9104 1 27 . 1 1 11 11 TYR H H 11 7.971 7.971 7.819 0.152 18226 9105 1 27 . 1 1 12 12 GLY N N 12 109.861 109.861 106.051 3.810 18226 9106 1 27 . 1 1 12 12 GLY C C 12 173.775 173.775 173.298 0.477 18226 9107 1 27 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.719 -0.339 18226 9108 1 27 . 1 1 12 12 GLY H H 12 7.769 7.769 8.359 -0.590 18226 9109 1 27 . 1 1 13 13 ALA N N 13 123.378 123.378 121.908 1.470 18226 9110 1 27 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.308 -0.006 18226 9111 1 27 . 1 1 13 13 ALA C C 13 177.509 177.509 176.094 1.415 18226 9112 1 27 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.507 0.120 18226 9113 1 27 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.163 0.281 18226 9114 1 27 . 1 1 13 13 ALA H H 13 7.975 7.975 7.710 0.265 18226 9115 1 27 . 1 1 14 14 ASP N N 14 118.494 118.494 115.688 2.806 18226 9116 1 27 . 1 1 14 14 ASP HA H 14 4.634 4.634 3.697 0.937 18226 9117 1 27 . 1 1 14 14 ASP C C 14 175.747 175.747 175.376 0.371 18226 9118 1 27 . 1 1 14 14 ASP CA C 14 54.002 54.002 55.506 -1.504 18226 9119 1 27 . 1 1 14 14 ASP CB C 14 40.162 40.162 39.474 0.688 18226 9120 1 27 . 1 1 14 14 ASP H H 14 8.307 8.307 8.649 -0.342 18226 9121 1 27 . 1 1 15 15 ASN N N 15 118.834 118.834 115.100 3.734 18226 9122 1 27 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.628 0.034 18226 9123 1 27 . 1 1 15 15 ASN C C 15 175.258 175.258 174.781 0.477 18226 9124 1 27 . 1 1 15 15 ASN CA C 15 53.515 53.515 52.172 1.343 18226 9125 1 27 . 1 1 15 15 ASN CB C 15 38.757 38.757 37.461 1.296 18226 9126 1 27 . 1 1 15 15 ASN H H 15 8.221 8.221 8.258 -0.037 18226 9127 1 27 . 1 1 16 16 GLN N N 16 120.413 120.413 122.652 -2.239 18226 9128 1 27 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.423 -0.068 18226 9129 1 27 . 1 1 16 16 GLN C C 16 176.096 176.096 174.825 1.271 18226 9130 1 27 . 1 1 16 16 GLN CA C 16 56.240 56.240 54.236 2.004 18226 9131 1 27 . 1 1 16 16 GLN CB C 16 29.370 29.370 26.750 2.620 18226 9132 1 27 . 1 1 16 16 GLN H H 16 8.295 8.295 7.769 0.526 18226 9133 1 27 . 1 1 17 17 SER N N 17 116.692 116.692 112.537 4.155 18226 9134 1 27 . 1 1 17 17 SER HA H 17 4.428 4.428 4.088 0.340 18226 9135 1 27 . 1 1 17 17 SER C C 17 174.523 174.523 173.598 0.925 18226 9136 1 27 . 1 1 17 17 SER CA C 17 58.683 58.683 59.365 -0.682 18226 9137 1 27 . 1 1 17 17 SER CB C 17 63.794 63.794 61.746 2.048 18226 9138 1 27 . 1 1 17 17 SER H H 17 8.267 8.267 8.070 0.197 18226 9139 1 27 . 1 1 18 18 GLU N N 18 122.142 122.142 120.364 1.778 18226 9140 1 27 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.374 -0.011 18226 9141 1 27 . 1 1 18 18 GLU C C 18 175.937 175.937 175.425 0.512 18226 9142 1 27 . 1 1 18 18 GLU CA C 18 56.305 56.305 55.610 0.695 18226 9143 1 27 . 1 1 18 18 GLU CB C 18 29.506 29.506 31.376 -1.870 18226 9144 1 27 . 1 1 18 18 GLU H H 18 8.330 8.330 8.305 0.025 18226 9145 1 27 . 1 1 19 19 CYS N N 19 120.077 120.077 122.402 -2.325 18226 9146 1 27 . 1 1 19 19 CYS HA H 19 4.432 4.432 2.131 2.301 18226 9147 1 27 . 1 1 19 19 CYS C C 19 174.442 174.442 174.590 -0.148 18226 9148 1 27 . 1 1 19 19 CYS CA C 19 58.613 58.613 57.873 0.739 18226 9149 1 27 . 1 1 19 19 CYS CB C 19 27.999 27.999 27.645 0.354 18226 9150 1 27 . 1 1 19 19 CYS H H 19 8.276 8.276 8.422 -0.146 18226 9151 1 27 . 1 1 20 20 GLU N N 20 123.369 123.369 123.259 0.110 18226 9152 1 27 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.246 0.057 18226 9153 1 27 . 1 1 20 20 GLU C C 20 175.858 175.858 176.160 -0.302 18226 9154 1 27 . 1 1 20 20 GLU CA C 20 56.457 56.457 57.384 -0.927 18226 9155 1 27 . 1 1 20 20 GLU CB C 20 29.150 29.150 28.154 0.996 18226 9156 1 27 . 1 1 20 20 GLU H H 20 8.400 8.400 8.593 -0.193 18226 9157 1 27 . 1 1 21 21 TYR N N 21 119.980 119.980 117.311 2.669 18226 9158 1 27 . 1 1 21 21 TYR HA H 21 4.544 4.544 3.997 0.547 18226 9159 1 27 . 1 1 21 21 TYR C C 21 175.669 175.669 175.725 -0.056 18226 9160 1 27 . 1 1 21 21 TYR CA C 21 58.103 58.103 61.787 -3.684 18226 9161 1 27 . 1 1 21 21 TYR CB C 21 38.677 38.677 37.223 1.454 18226 9162 1 27 . 1 1 21 21 TYR H H 21 7.991 7.991 8.860 -0.869 18226 9163 1 27 . 1 1 22 22 THR N N 22 113.984 113.984 108.302 5.682 18226 9164 1 27 . 1 1 22 22 THR HA H 22 4.164 4.164 4.684 -0.520 18226 9165 1 27 . 1 1 22 22 THR C C 22 174.259 174.259 172.831 1.428 18226 9166 1 27 . 1 1 22 22 THR CA C 22 62.381 62.381 61.934 0.447 18226 9167 1 27 . 1 1 22 22 THR CB C 22 69.551 69.551 70.299 -0.748 18226 9168 1 27 . 1 1 22 22 THR H H 22 7.821 7.821 8.530 -0.709 18226 9169 1 27 . 1 1 23 23 ASP N N 23 121.930 121.930 119.814 2.116 18226 9170 1 27 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.799 -0.128 18226 9171 1 27 . 1 1 23 23 ASP C C 23 176.164 176.164 177.392 -1.228 18226 9172 1 27 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.920 -1.239 18226 9173 1 27 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.512 -1.906 18226 9174 1 27 . 1 1 23 23 ASP H H 23 8.106 8.106 8.341 -0.235 18226 9175 1 27 . 1 1 24 24 TRP N N 24 121.947 121.947 123.648 -1.701 18226 9176 1 27 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.533 -0.051 18226 9177 1 27 . 1 1 24 24 TRP C C 24 176.496 176.496 176.602 -0.106 18226 9178 1 27 . 1 1 24 24 TRP CA C 24 58.238 58.238 59.432 -1.194 18226 9179 1 27 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.356 0.833 18226 9180 1 27 . 1 1 24 24 TRP H H 24 7.991 7.991 8.489 -0.498 18226 9181 1 27 . 1 1 25 25 LYS N N 25 119.673 119.673 119.658 0.015 18226 9182 1 27 . 1 1 25 25 LYS HA H 25 3.989 3.989 3.534 0.455 18226 9183 1 27 . 1 1 25 25 LYS C C 25 176.770 176.770 175.751 1.019 18226 9184 1 27 . 1 1 25 25 LYS CA C 25 57.467 57.467 56.390 1.077 18226 9185 1 27 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.779 0.174 18226 9186 1 27 . 1 1 25 25 LYS H H 25 7.588 7.588 7.681 -0.093 18226 9187 1 27 . 1 1 26 26 SER N N 26 114.157 114.157 114.007 0.150 18226 9188 1 27 . 1 1 26 26 SER HA H 26 4.462 4.462 4.556 -0.094 18226 9189 1 27 . 1 1 26 26 SER C C 26 175.126 175.126 173.723 1.403 18226 9190 1 27 . 1 1 26 26 SER CA C 26 58.673 58.673 58.223 0.450 18226 9191 1 27 . 1 1 26 26 SER CB C 26 63.801 63.801 64.696 -0.895 18226 9192 1 27 . 1 1 26 26 SER H H 26 7.823 7.823 7.649 0.174 18226 9193 1 27 . 1 1 27 27 SER N N 27 117.353 117.353 116.065 1.288 18226 9194 1 27 . 1 1 27 27 SER HA H 27 4.288 4.288 4.209 0.079 18226 9195 1 27 . 1 1 27 27 SER C C 27 175.598 175.598 174.446 1.152 18226 9196 1 27 . 1 1 27 27 SER CA C 27 60.216 60.216 60.106 0.110 18226 9197 1 27 . 1 1 27 27 SER CB C 27 63.684 63.684 62.346 1.338 18226 9198 1 27 . 1 1 27 27 SER H H 27 8.178 8.178 8.371 -0.193 18226 9199 1 27 . 1 1 28 28 GLY N N 28 110.249 110.249 104.960 5.289 18226 9200 1 27 . 1 1 28 28 GLY C C 28 174.667 174.667 173.249 1.418 18226 9201 1 27 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.758 0.519 18226 9202 1 27 . 1 1 28 28 GLY H H 28 8.359 8.359 8.104 0.255 18226 9203 1 27 . 1 1 29 29 ALA N N 29 121.959 121.959 121.300 0.659 18226 9204 1 27 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.445 -0.117 18226 9205 1 27 . 1 1 29 29 ALA C C 29 177.873 177.873 176.553 1.320 18226 9206 1 27 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.023 1.238 18226 9207 1 27 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.213 0.424 18226 9208 1 27 . 1 1 29 29 ALA H H 29 7.931 7.931 8.142 -0.211 18226 9209 1 27 . 1 1 30 30 LEU N N 30 117.460 117.460 113.517 3.943 18226 9210 1 27 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.714 -0.506 18226 9211 1 27 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.381 2.011 18226 9212 1 27 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.587 0.019 18226 9213 1 27 . 1 1 30 30 LEU H H 30 7.924 7.924 7.883 0.041 18226 9214 1 27 . 1 1 31 31 ILE N N 31 117.379 117.379 122.784 -5.405 18226 9215 1 27 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.328 -0.405 18226 9216 1 27 . 1 1 31 31 ILE CA C 31 66.011 66.011 64.478 1.533 18226 9217 1 27 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.960 -0.737 18226 9218 1 27 . 1 1 31 31 ILE H H 31 8.100 8.100 8.076 0.024 18226 9219 1 27 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.622 -0.304 18226 9220 1 27 . 1 1 32 32 PRO C C 32 178.706 178.706 176.398 2.308 18226 9221 1 27 . 1 1 32 32 PRO CA C 32 66.031 66.031 62.790 3.241 18226 9222 1 27 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.841 0.426 18226 9223 1 27 . 1 1 33 33 ALA N N 33 119.040 119.040 120.185 -1.145 18226 9224 1 27 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.414 -0.219 18226 9225 1 27 . 1 1 33 33 ALA C C 33 179.052 179.052 177.414 1.638 18226 9226 1 27 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.903 2.490 18226 9227 1 27 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.293 -0.762 18226 9228 1 27 . 1 1 33 33 ALA H H 33 7.462 7.462 7.619 -0.157 18226 9229 1 27 . 1 1 34 34 ILE N N 34 118.037 118.037 112.698 5.339 18226 9230 1 27 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.233 -0.511 18226 9231 1 27 . 1 1 34 34 ILE C C 34 177.827 177.827 176.940 0.887 18226 9232 1 27 . 1 1 34 34 ILE CA C 34 65.023 65.023 61.977 3.046 18226 9233 1 27 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.281 -1.940 18226 9234 1 27 . 1 1 34 34 ILE H H 34 8.176 8.176 7.341 0.835 18226 9235 1 27 . 1 1 35 35 TYR N N 35 118.783 118.783 120.300 -1.517 18226 9236 1 27 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.265 -0.120 18226 9237 1 27 . 1 1 35 35 TYR C C 35 178.062 178.062 176.673 1.389 18226 9238 1 27 . 1 1 35 35 TYR CA C 35 61.548 61.548 61.500 0.048 18226 9239 1 27 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.183 -0.441 18226 9240 1 27 . 1 1 35 35 TYR H H 35 8.306 8.306 7.614 0.692 18226 9241 1 27 . 1 1 36 36 MET N N 36 118.068 118.068 117.350 0.718 18226 9242 1 27 . 1 1 36 36 MET HA H 36 4.317 4.317 4.496 -0.179 18226 9243 1 27 . 1 1 36 36 MET C C 36 178.183 178.183 177.763 0.420 18226 9244 1 27 . 1 1 36 36 MET CA C 36 58.533 58.533 56.902 1.631 18226 9245 1 27 . 1 1 36 36 MET CB C 36 32.288 32.288 32.374 -0.086 18226 9246 1 27 . 1 1 36 36 MET H H 36 8.090 8.090 7.845 0.245 18226 9247 1 27 . 1 1 37 37 LEU N N 37 120.316 120.316 119.283 1.033 18226 9248 1 27 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.103 0.012 18226 9249 1 27 . 1 1 37 37 LEU C C 37 178.353 178.353 178.340 0.013 18226 9250 1 27 . 1 1 37 37 LEU CA C 37 58.330 58.330 57.251 1.079 18226 9251 1 27 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.293 0.621 18226 9252 1 27 . 1 1 37 37 LEU H H 37 8.106 8.106 8.198 -0.092 18226 9253 1 27 . 1 1 38 38 VAL N N 38 118.385 118.385 117.243 1.142 18226 9254 1 27 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.008 -0.479 18226 9255 1 27 . 1 1 38 38 VAL C C 38 178.216 178.216 176.349 1.867 18226 9256 1 27 . 1 1 38 38 VAL CA C 38 67.042 67.042 64.964 2.078 18226 9257 1 27 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.971 -1.346 18226 9258 1 27 . 1 1 38 38 VAL H H 38 8.305 8.305 7.456 0.849 18226 9259 1 27 . 1 1 39 39 PHE N N 39 120.216 120.216 119.001 1.215 18226 9260 1 27 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.531 -0.270 18226 9261 1 27 . 1 1 39 39 PHE C C 39 178.597 178.597 174.760 3.837 18226 9262 1 27 . 1 1 39 39 PHE CA C 39 61.320 61.320 58.036 3.284 18226 9263 1 27 . 1 1 39 39 PHE CB C 39 38.889 38.889 38.972 -0.083 18226 9264 1 27 . 1 1 39 39 PHE H H 39 8.196 8.196 7.781 0.415 18226 9265 1 27 . 1 1 40 40 LEU N N 40 120.772 120.772 118.601 2.171 18226 9266 1 27 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.449 -0.399 18226 9267 1 27 . 1 1 40 40 LEU C C 40 179.666 179.666 176.393 3.273 18226 9268 1 27 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.584 3.322 18226 9269 1 27 . 1 1 40 40 LEU CB C 40 42.340 42.340 43.277 -0.937 18226 9270 1 27 . 1 1 40 40 LEU H H 40 8.452 8.452 7.683 0.769 18226 9271 1 27 . 1 1 41 41 LEU N N 41 119.185 119.185 117.832 1.353 18226 9272 1 27 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.417 -0.318 18226 9273 1 27 . 1 1 41 41 LEU C C 41 178.878 178.878 177.912 0.966 18226 9274 1 27 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.170 2.216 18226 9275 1 27 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.287 -1.432 18226 9276 1 27 . 1 1 41 41 LEU H H 41 8.435 8.435 7.208 1.227 18226 9277 1 27 . 1 1 42 42 GLY N N 42 105.718 105.718 104.948 0.770 18226 9278 1 27 . 1 1 42 42 GLY C C 42 174.908 174.908 173.980 0.928 18226 9279 1 27 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.257 0.385 18226 9280 1 27 . 1 1 42 42 GLY H H 42 8.208 8.208 7.799 0.409 18226 9281 1 27 . 1 1 43 43 THR N N 43 111.959 111.959 112.709 -0.750 18226 9282 1 27 . 1 1 43 43 THR HA H 43 4.348 4.348 4.223 0.125 18226 9283 1 27 . 1 1 43 43 THR C C 43 175.665 175.665 173.932 1.733 18226 9284 1 27 . 1 1 43 43 THR CA C 43 63.097 63.097 61.090 2.007 18226 9285 1 27 . 1 1 43 43 THR CB C 43 69.867 69.867 69.160 0.707 18226 9286 1 27 . 1 1 43 43 THR H H 43 7.789 7.789 7.087 0.702 18226 9287 1 27 . 1 1 44 44 THR N N 44 113.271 113.271 116.508 -3.237 18226 9288 1 27 . 1 1 44 44 THR HA H 44 4.308 4.308 3.906 0.402 18226 9289 1 27 . 1 1 44 44 THR C C 44 175.754 175.754 175.213 0.541 18226 9290 1 27 . 1 1 44 44 THR CA C 44 63.194 63.194 63.380 -0.186 18226 9291 1 27 . 1 1 44 44 THR CB C 44 70.171 70.171 67.466 2.705 18226 9292 1 27 . 1 1 44 44 THR H H 44 7.833 7.833 8.547 -0.714 18226 9293 1 27 . 1 1 45 45 GLY N N 45 109.879 109.879 108.997 0.882 18226 9294 1 27 . 1 1 45 45 GLY C C 45 175.221 175.221 175.162 0.059 18226 9295 1 27 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.419 1.120 18226 9296 1 27 . 1 1 45 45 GLY H H 45 8.259 8.259 7.901 0.358 18226 9297 1 27 . 1 1 46 46 ASN N N 46 117.998 117.998 121.942 -3.944 18226 9298 1 27 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.711 -0.099 18226 9299 1 27 . 1 1 46 46 ASN C C 46 176.215 176.215 176.601 -0.386 18226 9300 1 27 . 1 1 46 46 ASN CA C 46 54.840 54.840 53.779 1.061 18226 9301 1 27 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.256 0.310 18226 9302 1 27 . 1 1 46 46 ASN H H 46 8.235 8.235 8.660 -0.425 18226 9303 1 27 . 1 1 47 47 GLY N N 47 106.990 106.990 105.839 1.151 18226 9304 1 27 . 1 1 47 47 GLY C C 47 174.659 174.659 174.892 -0.233 18226 9305 1 27 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.421 1.558 18226 9306 1 27 . 1 1 47 47 GLY H H 47 8.425 8.425 8.267 0.158 18226 9307 1 27 . 1 1 48 48 LEU N N 48 120.699 120.699 114.349 6.350 18226 9308 1 27 . 1 1 48 48 LEU HA H 48 4.300 4.300 5.010 -0.710 18226 9309 1 27 . 1 1 48 48 LEU C C 48 179.482 179.482 176.612 2.870 18226 9310 1 27 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.874 1.571 18226 9311 1 27 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.992 -1.426 18226 9312 1 27 . 1 1 48 48 LEU H H 48 7.956 7.956 7.701 0.255 18226 9313 1 27 . 1 1 49 49 VAL N N 49 120.101 120.101 119.538 0.563 18226 9314 1 27 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.103 -0.224 18226 9315 1 27 . 1 1 49 49 VAL C C 49 177.535 177.535 176.735 0.800 18226 9316 1 27 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.571 1.291 18226 9317 1 27 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.343 -0.564 18226 9318 1 27 . 1 1 49 49 VAL H H 49 7.919 7.919 7.939 -0.020 18226 9319 1 27 . 1 1 50 50 LEU N N 50 119.268 119.268 119.209 0.059 18226 9320 1 27 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.501 -0.458 18226 9321 1 27 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.933 0.912 18226 9322 1 27 . 1 1 50 50 LEU CB C 50 41.877 41.877 43.290 -1.413 18226 9323 1 27 . 1 1 50 50 LEU H H 50 7.731 7.731 7.616 0.115 18226 9324 1 27 . 1 1 51 51 TRP N N 51 118.033 118.033 121.665 -3.632 18226 9325 1 27 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.182 0.410 18226 9326 1 27 . 1 1 51 51 TRP C C 51 177.302 177.302 177.527 -0.225 18226 9327 1 27 . 1 1 51 51 TRP CA C 51 59.789 59.789 61.181 -1.392 18226 9328 1 27 . 1 1 51 51 TRP CB C 51 30.207 30.207 28.747 1.460 18226 9329 1 27 . 1 1 51 51 TRP H H 51 8.070 8.070 8.007 0.063 18226 9330 1 27 . 1 1 52 52 THR N N 52 113.014 113.014 114.310 -1.296 18226 9331 1 27 . 1 1 52 52 THR HA H 52 3.746 3.746 3.604 0.142 18226 9332 1 27 . 1 1 52 52 THR C C 52 176.361 176.361 176.002 0.359 18226 9333 1 27 . 1 1 52 52 THR CA C 52 66.443 66.443 65.858 0.585 18226 9334 1 27 . 1 1 52 52 THR CB C 52 69.017 69.017 68.551 0.466 18226 9335 1 27 . 1 1 52 52 THR H H 52 8.101 8.101 7.871 0.230 18226 9336 1 27 . 1 1 53 53 VAL N N 53 120.231 120.231 120.687 -0.456 18226 9337 1 27 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.636 0.042 18226 9338 1 27 . 1 1 53 53 VAL C C 53 177.482 177.482 177.802 -0.320 18226 9339 1 27 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.088 0.070 18226 9340 1 27 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.048 0.719 18226 9341 1 27 . 1 1 53 53 VAL H H 53 7.905 7.905 8.359 -0.454 18226 9342 1 27 . 1 1 54 54 PHE N N 54 118.609 118.609 116.674 1.935 18226 9343 1 27 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.170 0.063 18226 9344 1 27 . 1 1 54 54 PHE CA C 54 60.666 60.666 60.384 0.282 18226 9345 1 27 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.692 0.566 18226 9346 1 27 . 1 1 54 54 PHE H H 54 8.025 8.025 7.537 0.488 18226 9347 1 27 . 1 1 55 55 ARG N N 55 117.305 117.305 119.016 -1.711 18226 9348 1 27 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.059 -0.251 18226 9349 1 27 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.956 -0.246 18226 9350 1 27 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.437 -0.774 18226 9351 1 27 . 1 1 55 55 ARG H H 55 8.025 8.025 7.953 0.072 18226 9352 1 27 . 1 1 56 56 LYS N N 56 118.321 118.321 119.650 -1.329 18226 9353 1 27 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.048 0.122 18226 9354 1 27 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.823 -1.383 18226 9355 1 27 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.822 1.107 18226 9356 1 27 . 1 1 56 56 LYS H H 56 7.717 7.717 8.335 -0.618 18226 9357 1 27 . 1 1 57 57 LYS N N 57 118.349 118.349 114.403 3.946 18226 9358 1 27 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.304 -0.015 18226 9359 1 27 . 1 1 57 57 LYS C C 57 176.891 176.891 176.237 0.654 18226 9360 1 27 . 1 1 57 57 LYS CA C 57 56.373 56.373 54.960 1.413 18226 9361 1 27 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.652 0.212 18226 9362 1 27 . 1 1 57 57 LYS H H 57 7.872 7.872 7.458 0.414 18226 9363 1 27 . 1 1 58 58 GLY N N 58 107.442 107.442 108.410 -0.968 18226 9364 1 27 . 1 1 58 58 GLY C C 58 173.263 173.263 175.201 -1.938 18226 9365 1 27 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.816 0.741 18226 9366 1 27 . 1 1 58 58 GLY H H 58 8.060 8.060 8.025 0.035 18226 9367 1 27 . 1 1 59 59 HIS N N 59 116.928 116.928 122.675 -5.747 18226 9368 1 27 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.216 0.452 18226 9369 1 27 . 1 1 59 59 HIS C C 59 173.935 173.935 175.138 -1.203 18226 9370 1 27 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.216 -3.131 18226 9371 1 27 . 1 1 59 59 HIS CB C 59 29.223 29.223 30.045 -0.822 18226 9372 1 27 . 1 1 59 59 HIS H H 59 8.076 8.076 8.829 -0.753 18226 9373 1 27 . 1 1 60 60 HIS N N 60 119.187 119.187 113.564 5.623 18226 9374 1 27 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.107 0.564 18226 9375 1 27 . 1 1 60 60 HIS C C 60 173.926 173.926 174.739 -0.813 18226 9376 1 27 . 1 1 60 60 HIS CA C 60 55.429 55.429 55.039 0.390 18226 9377 1 27 . 1 1 60 60 HIS CB C 60 29.157 29.157 30.064 -0.907 18226 9378 1 27 . 1 1 60 60 HIS H H 60 8.547 8.547 7.906 0.641 18226 9379 1 27 . 1 1 61 61 HIS N N 61 120.017 120.017 117.311 2.706 18226 9380 1 27 . 1 1 61 61 HIS HA H 61 4.667 4.667 3.543 1.124 18226 9381 1 27 . 1 1 61 61 HIS C C 61 173.994 173.994 174.272 -0.278 18226 9382 1 27 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.554 -1.121 18226 9383 1 27 . 1 1 61 61 HIS CB C 61 29.201 29.201 29.176 0.025 18226 9384 1 27 . 1 1 61 61 HIS H H 61 8.662 8.662 7.316 1.346 18226 9385 1 27 . 1 1 62 62 HIS N N 62 120.463 120.463 124.198 -3.735 18226 9386 1 27 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.433 0.224 18226 9387 1 27 . 1 1 62 62 HIS C C 62 173.939 173.939 176.049 -2.110 18226 9388 1 27 . 1 1 62 62 HIS CA C 62 55.376 55.376 57.017 -1.641 18226 9389 1 27 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.326 -1.035 18226 9390 1 27 . 1 1 62 62 HIS H H 62 8.729 8.729 7.577 1.152 18226 9391 1 27 . 1 1 63 63 HIS N N 63 120.370 120.370 118.570 1.800 18226 9392 1 27 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.280 0.378 18226 9393 1 27 . 1 1 63 63 HIS C C 63 173.564 173.564 174.700 -1.136 18226 9394 1 27 . 1 1 63 63 HIS CA C 63 55.608 55.608 56.236 -0.628 18226 9395 1 27 . 1 1 63 63 HIS CB C 63 29.365 29.365 28.914 0.451 18226 9396 1 27 . 1 1 63 63 HIS H H 63 8.619 8.619 8.166 0.453 18226 9397 1 28 . 1 1 2 2 GLU N N 2 123.545 123.545 122.470 1.075 18226 9398 1 28 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.426 -0.040 18226 9399 1 28 . 1 1 2 2 GLU C C 2 175.742 175.742 175.998 -0.256 18226 9400 1 28 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.716 -0.353 18226 9401 1 28 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.891 -0.136 18226 9402 1 28 . 1 1 2 2 GLU H H 2 8.765 8.765 8.571 0.194 18226 9403 1 28 . 1 1 3 3 GLU N N 3 122.227 122.227 123.531 -1.304 18226 9404 1 28 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.390 -0.057 18226 9405 1 28 . 1 1 3 3 GLU C C 3 176.636 176.636 176.550 0.086 18226 9406 1 28 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.513 -0.025 18226 9407 1 28 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.900 -0.143 18226 9408 1 28 . 1 1 3 3 GLU H H 3 8.550 8.550 8.979 -0.429 18226 9409 1 28 . 1 1 4 4 GLY N N 4 110.108 110.108 109.163 0.945 18226 9410 1 28 . 1 1 4 4 GLY C C 4 174.548 174.548 173.925 0.623 18226 9411 1 28 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.404 1.071 18226 9412 1 28 . 1 1 4 4 GLY H H 4 8.453 8.453 8.156 0.297 18226 9413 1 28 . 1 1 5 5 GLY N N 5 108.466 108.466 109.035 -0.569 18226 9414 1 28 . 1 1 5 5 GLY C C 5 173.790 173.790 174.048 -0.258 18226 9415 1 28 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.759 -0.395 18226 9416 1 28 . 1 1 5 5 GLY H H 5 8.168 8.168 8.639 -0.471 18226 9417 1 28 . 1 1 6 6 ASP N N 6 119.764 119.764 118.560 1.204 18226 9418 1 28 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.822 -0.239 18226 9419 1 28 . 1 1 6 6 ASP C C 6 175.811 175.811 176.535 -0.724 18226 9420 1 28 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.021 -0.029 18226 9421 1 28 . 1 1 6 6 ASP CB C 6 40.257 40.257 42.268 -2.011 18226 9422 1 28 . 1 1 6 6 ASP H H 6 8.187 8.187 8.696 -0.509 18226 9423 1 28 . 1 1 7 7 PHE N N 7 119.941 119.941 120.135 -0.194 18226 9424 1 28 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.266 0.300 18226 9425 1 28 . 1 1 7 7 PHE C C 7 175.636 175.636 174.138 1.498 18226 9426 1 28 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.687 -0.616 18226 9427 1 28 . 1 1 7 7 PHE CB C 7 39.319 39.319 38.755 0.564 18226 9428 1 28 . 1 1 7 7 PHE H H 7 8.103 8.103 8.078 0.025 18226 9429 1 28 . 1 1 8 8 ASP N N 8 120.418 120.418 120.277 0.141 18226 9430 1 28 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.750 -0.213 18226 9431 1 28 . 1 1 8 8 ASP C C 8 175.548 175.548 174.856 0.692 18226 9432 1 28 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.135 0.238 18226 9433 1 28 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.230 -0.844 18226 9434 1 28 . 1 1 8 8 ASP H H 8 8.177 8.177 8.309 -0.132 18226 9435 1 28 . 1 1 9 9 ASN N N 9 118.260 118.260 118.514 -0.254 18226 9436 1 28 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.791 -0.204 18226 9437 1 28 . 1 1 9 9 ASN C C 9 174.782 174.782 175.011 -0.229 18226 9438 1 28 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.578 -0.181 18226 9439 1 28 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.279 -0.517 18226 9440 1 28 . 1 1 9 9 ASN H H 9 8.057 8.057 7.922 0.135 18226 9441 1 28 . 1 1 10 10 TYR N N 10 120.145 120.145 122.800 -2.655 18226 9442 1 28 . 1 1 10 10 TYR HA H 10 4.439 4.439 3.395 1.044 18226 9443 1 28 . 1 1 10 10 TYR C C 10 175.520 175.520 173.634 1.886 18226 9444 1 28 . 1 1 10 10 TYR CA C 10 58.369 58.369 60.550 -2.181 18226 9445 1 28 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.296 1.453 18226 9446 1 28 . 1 1 10 10 TYR H H 10 7.951 7.951 8.250 -0.299 18226 9447 1 28 . 1 1 11 11 TYR N N 11 121.223 121.223 116.996 4.227 18226 9448 1 28 . 1 1 11 11 TYR HA H 11 4.499 4.499 3.756 0.743 18226 9449 1 28 . 1 1 11 11 TYR C C 11 175.974 175.974 177.287 -1.313 18226 9450 1 28 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.739 0.334 18226 9451 1 28 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.591 3.080 18226 9452 1 28 . 1 1 11 11 TYR H H 11 7.971 7.971 7.834 0.137 18226 9453 1 28 . 1 1 12 12 GLY N N 12 109.861 109.861 110.755 -0.894 18226 9454 1 28 . 1 1 12 12 GLY C C 12 173.775 173.775 174.076 -0.301 18226 9455 1 28 . 1 1 12 12 GLY CA C 12 45.380 45.380 46.264 -0.884 18226 9456 1 28 . 1 1 12 12 GLY H H 12 7.769 7.769 8.677 -0.908 18226 9457 1 28 . 1 1 13 13 ALA N N 13 123.378 123.378 121.765 1.613 18226 9458 1 28 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.226 0.076 18226 9459 1 28 . 1 1 13 13 ALA C C 13 177.509 177.509 175.263 2.246 18226 9460 1 28 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.922 -0.295 18226 9461 1 28 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.215 0.229 18226 9462 1 28 . 1 1 13 13 ALA H H 13 7.975 7.975 8.096 -0.121 18226 9463 1 28 . 1 1 14 14 ASP N N 14 118.494 118.494 117.581 0.913 18226 9464 1 28 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.314 0.320 18226 9465 1 28 . 1 1 14 14 ASP C C 14 175.747 175.747 174.449 1.298 18226 9466 1 28 . 1 1 14 14 ASP CA C 14 54.002 54.002 56.071 -2.068 18226 9467 1 28 . 1 1 14 14 ASP CB C 14 40.162 40.162 39.758 0.404 18226 9468 1 28 . 1 1 14 14 ASP H H 14 8.307 8.307 8.694 -0.387 18226 9469 1 28 . 1 1 15 15 ASN N N 15 118.834 118.834 115.422 3.412 18226 9470 1 28 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.737 -0.075 18226 9471 1 28 . 1 1 15 15 ASN C C 15 175.258 175.258 174.440 0.818 18226 9472 1 28 . 1 1 15 15 ASN CA C 15 53.515 53.515 52.612 0.903 18226 9473 1 28 . 1 1 15 15 ASN CB C 15 38.757 38.757 39.275 -0.518 18226 9474 1 28 . 1 1 15 15 ASN H H 15 8.221 8.221 7.854 0.367 18226 9475 1 28 . 1 1 16 16 GLN N N 16 120.413 120.413 120.251 0.162 18226 9476 1 28 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.334 0.021 18226 9477 1 28 . 1 1 16 16 GLN C C 16 176.096 176.096 176.964 -0.868 18226 9478 1 28 . 1 1 16 16 GLN CA C 16 56.240 56.240 58.074 -1.834 18226 9479 1 28 . 1 1 16 16 GLN CB C 16 29.370 29.370 29.310 0.060 18226 9480 1 28 . 1 1 16 16 GLN H H 16 8.295 8.295 8.424 -0.129 18226 9481 1 28 . 1 1 17 17 SER N N 17 116.692 116.692 113.900 2.792 18226 9482 1 28 . 1 1 17 17 SER HA H 17 4.428 4.428 4.356 0.072 18226 9483 1 28 . 1 1 17 17 SER C C 17 174.523 174.523 174.887 -0.364 18226 9484 1 28 . 1 1 17 17 SER CA C 17 58.683 58.683 59.794 -1.111 18226 9485 1 28 . 1 1 17 17 SER CB C 17 63.794 63.794 63.049 0.745 18226 9486 1 28 . 1 1 17 17 SER H H 17 8.267 8.267 8.244 0.023 18226 9487 1 28 . 1 1 18 18 GLU N N 18 122.142 122.142 118.786 3.356 18226 9488 1 28 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.324 0.039 18226 9489 1 28 . 1 1 18 18 GLU C C 18 175.937 175.937 175.872 0.065 18226 9490 1 28 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.596 -0.291 18226 9491 1 28 . 1 1 18 18 GLU CB C 18 29.506 29.506 29.860 -0.354 18226 9492 1 28 . 1 1 18 18 GLU H H 18 8.330 8.330 8.414 -0.084 18226 9493 1 28 . 1 1 19 19 CYS N N 19 120.077 120.077 117.029 3.048 18226 9494 1 28 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.296 0.136 18226 9495 1 28 . 1 1 19 19 CYS C C 19 174.442 174.442 173.688 0.754 18226 9496 1 28 . 1 1 19 19 CYS CA C 19 58.613 58.613 59.847 -1.234 18226 9497 1 28 . 1 1 19 19 CYS CB C 19 27.999 27.999 30.645 -2.646 18226 9498 1 28 . 1 1 19 19 CYS H H 19 8.276 8.276 7.439 0.837 18226 9499 1 28 . 1 1 20 20 GLU N N 20 123.369 123.369 120.504 2.865 18226 9500 1 28 . 1 1 20 20 GLU HA H 20 4.303 4.303 3.324 0.979 18226 9501 1 28 . 1 1 20 20 GLU C C 20 175.858 175.858 175.716 0.142 18226 9502 1 28 . 1 1 20 20 GLU CA C 20 56.457 56.457 57.683 -1.226 18226 9503 1 28 . 1 1 20 20 GLU CB C 20 29.150 29.150 28.574 0.576 18226 9504 1 28 . 1 1 20 20 GLU H H 20 8.400 8.400 8.004 0.396 18226 9505 1 28 . 1 1 21 21 TYR N N 21 119.980 119.980 113.809 6.171 18226 9506 1 28 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.176 0.368 18226 9507 1 28 . 1 1 21 21 TYR C C 21 175.669 175.669 175.753 -0.084 18226 9508 1 28 . 1 1 21 21 TYR CA C 21 58.103 58.103 60.111 -2.008 18226 9509 1 28 . 1 1 21 21 TYR CB C 21 38.677 38.677 36.426 2.251 18226 9510 1 28 . 1 1 21 21 TYR H H 21 7.991 7.991 8.564 -0.573 18226 9511 1 28 . 1 1 22 22 THR N N 22 113.984 113.984 112.535 1.449 18226 9512 1 28 . 1 1 22 22 THR HA H 22 4.164 4.164 4.631 -0.467 18226 9513 1 28 . 1 1 22 22 THR C C 22 174.259 174.259 172.828 1.431 18226 9514 1 28 . 1 1 22 22 THR CA C 22 62.381 62.381 62.285 0.096 18226 9515 1 28 . 1 1 22 22 THR CB C 22 69.551 69.551 70.486 -0.935 18226 9516 1 28 . 1 1 22 22 THR H H 22 7.821 7.821 8.304 -0.483 18226 9517 1 28 . 1 1 23 23 ASP N N 23 121.930 121.930 122.527 -0.597 18226 9518 1 28 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.829 -0.158 18226 9519 1 28 . 1 1 23 23 ASP C C 23 176.164 176.164 176.457 -0.293 18226 9520 1 28 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.462 -0.782 18226 9521 1 28 . 1 1 23 23 ASP CB C 23 39.606 39.606 42.228 -2.622 18226 9522 1 28 . 1 1 23 23 ASP H H 23 8.106 8.106 7.949 0.157 18226 9523 1 28 . 1 1 24 24 TRP N N 24 121.947 121.947 119.610 2.337 18226 9524 1 28 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.548 -0.066 18226 9525 1 28 . 1 1 24 24 TRP C C 24 176.496 176.496 176.024 0.472 18226 9526 1 28 . 1 1 24 24 TRP CA C 24 58.238 58.238 58.839 -0.601 18226 9527 1 28 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.322 -0.133 18226 9528 1 28 . 1 1 24 24 TRP H H 24 7.991 7.991 7.618 0.373 18226 9529 1 28 . 1 1 25 25 LYS N N 25 119.673 119.673 114.846 4.827 18226 9530 1 28 . 1 1 25 25 LYS HA H 25 3.989 3.989 3.826 0.163 18226 9531 1 28 . 1 1 25 25 LYS C C 25 176.770 176.770 174.937 1.833 18226 9532 1 28 . 1 1 25 25 LYS CA C 25 57.467 57.467 54.335 3.132 18226 9533 1 28 . 1 1 25 25 LYS CB C 25 31.953 31.953 30.944 1.009 18226 9534 1 28 . 1 1 25 25 LYS H H 25 7.588 7.588 6.917 0.671 18226 9535 1 28 . 1 1 26 26 SER N N 26 114.157 114.157 113.736 0.421 18226 9536 1 28 . 1 1 26 26 SER HA H 26 4.462 4.462 4.126 0.336 18226 9537 1 28 . 1 1 26 26 SER C C 26 175.126 175.126 174.199 0.927 18226 9538 1 28 . 1 1 26 26 SER CA C 26 58.673 58.673 59.579 -0.906 18226 9539 1 28 . 1 1 26 26 SER CB C 26 63.801 63.801 61.509 2.292 18226 9540 1 28 . 1 1 26 26 SER H H 26 7.823 7.823 7.825 -0.002 18226 9541 1 28 . 1 1 27 27 SER N N 27 117.353 117.353 116.707 0.646 18226 9542 1 28 . 1 1 27 27 SER HA H 27 4.288 4.288 4.517 -0.229 18226 9543 1 28 . 1 1 27 27 SER C C 27 175.598 175.598 173.510 2.088 18226 9544 1 28 . 1 1 27 27 SER CA C 27 60.216 60.216 59.030 1.186 18226 9545 1 28 . 1 1 27 27 SER CB C 27 63.684 63.684 63.942 -0.258 18226 9546 1 28 . 1 1 27 27 SER H H 27 8.178 8.178 8.307 -0.129 18226 9547 1 28 . 1 1 28 28 GLY N N 28 110.249 110.249 106.935 3.314 18226 9548 1 28 . 1 1 28 28 GLY C C 28 174.667 174.667 173.567 1.100 18226 9549 1 28 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.439 0.837 18226 9550 1 28 . 1 1 28 28 GLY H H 28 8.359 8.359 8.090 0.269 18226 9551 1 28 . 1 1 29 29 ALA N N 29 121.959 121.959 121.313 0.646 18226 9552 1 28 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.722 -0.394 18226 9553 1 28 . 1 1 29 29 ALA C C 29 177.873 177.873 177.448 0.425 18226 9554 1 28 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.592 0.669 18226 9555 1 28 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.975 -0.338 18226 9556 1 28 . 1 1 29 29 ALA H H 29 7.931 7.931 7.950 -0.019 18226 9557 1 28 . 1 1 30 30 LEU N N 30 117.460 117.460 118.936 -1.476 18226 9558 1 28 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.585 -0.377 18226 9559 1 28 . 1 1 30 30 LEU CA C 30 57.392 57.392 56.430 0.962 18226 9560 1 28 . 1 1 30 30 LEU CB C 30 42.605 42.605 41.884 0.721 18226 9561 1 28 . 1 1 30 30 LEU H H 30 7.924 7.924 8.012 -0.088 18226 9562 1 28 . 1 1 31 31 ILE N N 31 117.379 117.379 120.280 -2.901 18226 9563 1 28 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.344 -0.421 18226 9564 1 28 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.946 2.065 18226 9565 1 28 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.927 -0.704 18226 9566 1 28 . 1 1 31 31 ILE H H 31 8.100 8.100 7.988 0.112 18226 9567 1 28 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.598 -0.280 18226 9568 1 28 . 1 1 32 32 PRO C C 32 178.706 178.706 175.847 2.859 18226 9569 1 28 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.330 2.701 18226 9570 1 28 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.465 0.802 18226 9571 1 28 . 1 1 33 33 ALA N N 33 119.040 119.040 121.267 -2.227 18226 9572 1 28 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.486 -0.291 18226 9573 1 28 . 1 1 33 33 ALA C C 33 179.052 179.052 177.199 1.853 18226 9574 1 28 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.404 2.989 18226 9575 1 28 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.951 -1.420 18226 9576 1 28 . 1 1 33 33 ALA H H 33 7.462 7.462 8.055 -0.593 18226 9577 1 28 . 1 1 34 34 ILE N N 34 118.037 118.037 114.148 3.889 18226 9578 1 28 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.261 -0.539 18226 9579 1 28 . 1 1 34 34 ILE C C 34 177.827 177.827 176.902 0.925 18226 9580 1 28 . 1 1 34 34 ILE CA C 34 65.023 65.023 61.850 3.173 18226 9581 1 28 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.373 -2.032 18226 9582 1 28 . 1 1 34 34 ILE H H 34 8.176 8.176 7.351 0.825 18226 9583 1 28 . 1 1 35 35 TYR N N 35 118.783 118.783 120.013 -1.230 18226 9584 1 28 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.282 -0.137 18226 9585 1 28 . 1 1 35 35 TYR C C 35 178.062 178.062 176.872 1.190 18226 9586 1 28 . 1 1 35 35 TYR CA C 35 61.548 61.548 61.398 0.150 18226 9587 1 28 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.527 -0.785 18226 9588 1 28 . 1 1 35 35 TYR H H 35 8.306 8.306 7.664 0.642 18226 9589 1 28 . 1 1 36 36 MET N N 36 118.068 118.068 116.855 1.213 18226 9590 1 28 . 1 1 36 36 MET HA H 36 4.317 4.317 4.508 -0.191 18226 9591 1 28 . 1 1 36 36 MET C C 36 178.183 178.183 176.569 1.614 18226 9592 1 28 . 1 1 36 36 MET CA C 36 58.533 58.533 56.967 1.566 18226 9593 1 28 . 1 1 36 36 MET CB C 36 32.288 32.288 32.850 -0.562 18226 9594 1 28 . 1 1 36 36 MET H H 36 8.090 8.090 7.812 0.278 18226 9595 1 28 . 1 1 37 37 LEU N N 37 120.316 120.316 118.935 1.381 18226 9596 1 28 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.387 -0.272 18226 9597 1 28 . 1 1 37 37 LEU C C 37 178.353 178.353 177.219 1.134 18226 9598 1 28 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.092 2.238 18226 9599 1 28 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.536 0.378 18226 9600 1 28 . 1 1 37 37 LEU H H 37 8.106 8.106 7.695 0.411 18226 9601 1 28 . 1 1 38 38 VAL N N 38 118.385 118.385 117.031 1.354 18226 9602 1 28 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.042 -0.513 18226 9603 1 28 . 1 1 38 38 VAL C C 38 178.216 178.216 175.810 2.406 18226 9604 1 28 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.364 3.678 18226 9605 1 28 . 1 1 38 38 VAL CB C 38 31.625 31.625 33.083 -1.458 18226 9606 1 28 . 1 1 38 38 VAL H H 38 8.305 8.305 7.401 0.904 18226 9607 1 28 . 1 1 39 39 PHE N N 39 120.216 120.216 121.817 -1.601 18226 9608 1 28 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.488 -0.227 18226 9609 1 28 . 1 1 39 39 PHE C C 39 178.597 178.597 174.638 3.959 18226 9610 1 28 . 1 1 39 39 PHE CA C 39 61.320 61.320 59.150 2.170 18226 9611 1 28 . 1 1 39 39 PHE CB C 39 38.889 38.889 40.215 -1.326 18226 9612 1 28 . 1 1 39 39 PHE H H 39 8.196 8.196 8.197 -0.001 18226 9613 1 28 . 1 1 40 40 LEU N N 40 120.772 120.772 118.695 2.077 18226 9614 1 28 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.471 -0.421 18226 9615 1 28 . 1 1 40 40 LEU C C 40 179.666 179.666 175.767 3.899 18226 9616 1 28 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.895 3.011 18226 9617 1 28 . 1 1 40 40 LEU CB C 40 42.340 42.340 40.316 2.024 18226 9618 1 28 . 1 1 40 40 LEU H H 40 8.452 8.452 8.034 0.418 18226 9619 1 28 . 1 1 41 41 LEU N N 41 119.185 119.185 114.142 5.043 18226 9620 1 28 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.504 -0.405 18226 9621 1 28 . 1 1 41 41 LEU C C 41 178.878 178.878 177.267 1.611 18226 9622 1 28 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.815 1.571 18226 9623 1 28 . 1 1 41 41 LEU CB C 41 41.855 41.855 42.200 -0.345 18226 9624 1 28 . 1 1 41 41 LEU H H 41 8.435 8.435 7.399 1.036 18226 9625 1 28 . 1 1 42 42 GLY N N 42 105.718 105.718 106.916 -1.198 18226 9626 1 28 . 1 1 42 42 GLY C C 42 174.908 174.908 173.693 1.215 18226 9627 1 28 . 1 1 42 42 GLY CA C 42 46.642 46.642 45.880 0.762 18226 9628 1 28 . 1 1 42 42 GLY H H 42 8.208 8.208 7.895 0.313 18226 9629 1 28 . 1 1 43 43 THR N N 43 111.959 111.959 113.456 -1.497 18226 9630 1 28 . 1 1 43 43 THR HA H 43 4.348 4.348 4.183 0.165 18226 9631 1 28 . 1 1 43 43 THR C C 43 175.665 175.665 174.060 1.605 18226 9632 1 28 . 1 1 43 43 THR CA C 43 63.097 63.097 62.989 0.108 18226 9633 1 28 . 1 1 43 43 THR CB C 43 69.867 69.867 68.754 1.113 18226 9634 1 28 . 1 1 43 43 THR H H 43 7.789 7.789 7.213 0.576 18226 9635 1 28 . 1 1 44 44 THR N N 44 113.271 113.271 117.435 -4.164 18226 9636 1 28 . 1 1 44 44 THR HA H 44 4.308 4.308 3.791 0.517 18226 9637 1 28 . 1 1 44 44 THR C C 44 175.754 175.754 175.819 -0.065 18226 9638 1 28 . 1 1 44 44 THR CA C 44 63.194 63.194 63.510 -0.315 18226 9639 1 28 . 1 1 44 44 THR CB C 44 70.171 70.171 67.582 2.588 18226 9640 1 28 . 1 1 44 44 THR H H 44 7.833 7.833 7.728 0.105 18226 9641 1 28 . 1 1 45 45 GLY N N 45 109.879 109.879 108.411 1.468 18226 9642 1 28 . 1 1 45 45 GLY C C 45 175.221 175.221 174.682 0.539 18226 9643 1 28 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.399 1.140 18226 9644 1 28 . 1 1 45 45 GLY H H 45 8.259 8.259 7.930 0.329 18226 9645 1 28 . 1 1 46 46 ASN N N 46 117.998 117.998 117.259 0.739 18226 9646 1 28 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.974 -0.362 18226 9647 1 28 . 1 1 46 46 ASN C C 46 176.215 176.215 176.353 -0.138 18226 9648 1 28 . 1 1 46 46 ASN CA C 46 54.840 54.840 53.126 1.714 18226 9649 1 28 . 1 1 46 46 ASN CB C 46 38.566 38.566 39.403 -0.837 18226 9650 1 28 . 1 1 46 46 ASN H H 46 8.235 8.235 8.382 -0.147 18226 9651 1 28 . 1 1 47 47 GLY N N 47 106.990 106.990 108.673 -1.683 18226 9652 1 28 . 1 1 47 47 GLY C C 47 174.659 174.659 174.685 -0.026 18226 9653 1 28 . 1 1 47 47 GLY CA C 47 46.979 46.979 46.078 0.901 18226 9654 1 28 . 1 1 47 47 GLY H H 47 8.425 8.425 8.504 -0.079 18226 9655 1 28 . 1 1 48 48 LEU N N 48 120.699 120.699 118.093 2.606 18226 9656 1 28 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.611 -0.311 18226 9657 1 28 . 1 1 48 48 LEU C C 48 179.482 179.482 176.553 2.929 18226 9658 1 28 . 1 1 48 48 LEU CA C 48 57.445 57.445 54.866 2.579 18226 9659 1 28 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.476 0.090 18226 9660 1 28 . 1 1 48 48 LEU H H 48 7.956 7.956 7.682 0.274 18226 9661 1 28 . 1 1 49 49 VAL N N 49 120.101 120.101 118.914 1.187 18226 9662 1 28 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.072 -0.193 18226 9663 1 28 . 1 1 49 49 VAL C C 49 177.535 177.535 176.482 1.053 18226 9664 1 28 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.546 2.316 18226 9665 1 28 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.809 -1.030 18226 9666 1 28 . 1 1 49 49 VAL H H 49 7.919 7.919 7.618 0.301 18226 9667 1 28 . 1 1 50 50 LEU N N 50 119.268 119.268 121.461 -2.193 18226 9668 1 28 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.465 -0.422 18226 9669 1 28 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.890 0.955 18226 9670 1 28 . 1 1 50 50 LEU CB C 50 41.877 41.877 43.291 -1.413 18226 9671 1 28 . 1 1 50 50 LEU H H 50 7.731 7.731 7.551 0.180 18226 9672 1 28 . 1 1 51 51 TRP N N 51 118.033 118.033 122.073 -4.040 18226 9673 1 28 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.384 0.208 18226 9674 1 28 . 1 1 51 51 TRP C C 51 177.302 177.302 177.061 0.241 18226 9675 1 28 . 1 1 51 51 TRP CA C 51 59.789 59.789 60.846 -1.057 18226 9676 1 28 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.294 0.913 18226 9677 1 28 . 1 1 51 51 TRP H H 51 8.070 8.070 7.950 0.120 18226 9678 1 28 . 1 1 52 52 THR N N 52 113.014 113.014 112.187 0.827 18226 9679 1 28 . 1 1 52 52 THR HA H 52 3.746 3.746 2.958 0.788 18226 9680 1 28 . 1 1 52 52 THR C C 52 176.361 176.361 174.452 1.909 18226 9681 1 28 . 1 1 52 52 THR CA C 52 66.443 66.443 63.506 2.937 18226 9682 1 28 . 1 1 52 52 THR CB C 52 69.017 69.017 67.810 1.207 18226 9683 1 28 . 1 1 52 52 THR H H 52 8.101 8.101 8.008 0.093 18226 9684 1 28 . 1 1 53 53 VAL N N 53 120.231 120.231 118.999 1.232 18226 9685 1 28 . 1 1 53 53 VAL HA H 53 3.678 3.678 4.031 -0.353 18226 9686 1 28 . 1 1 53 53 VAL C C 53 177.482 177.482 175.723 1.759 18226 9687 1 28 . 1 1 53 53 VAL CA C 53 66.158 66.158 63.099 3.059 18226 9688 1 28 . 1 1 53 53 VAL CB C 53 31.767 31.767 33.114 -1.347 18226 9689 1 28 . 1 1 53 53 VAL H H 53 7.905 7.905 7.750 0.155 18226 9690 1 28 . 1 1 54 54 PHE N N 54 118.609 118.609 118.811 -0.202 18226 9691 1 28 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.706 -0.473 18226 9692 1 28 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.200 2.466 18226 9693 1 28 . 1 1 54 54 PHE CB C 54 39.258 39.258 39.863 -0.605 18226 9694 1 28 . 1 1 54 54 PHE H H 54 8.025 8.025 7.330 0.695 18226 9695 1 28 . 1 1 55 55 ARG N N 55 117.305 117.305 119.506 -2.201 18226 9696 1 28 . 1 1 55 55 ARG HA H 55 3.808 3.808 3.561 0.247 18226 9697 1 28 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.041 0.669 18226 9698 1 28 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.393 -0.730 18226 9699 1 28 . 1 1 55 55 ARG H H 55 8.025 8.025 7.277 0.748 18226 9700 1 28 . 1 1 56 56 LYS N N 56 118.321 118.321 118.778 -0.457 18226 9701 1 28 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.752 0.418 18226 9702 1 28 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.561 -1.121 18226 9703 1 28 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.214 1.715 18226 9704 1 28 . 1 1 56 56 LYS H H 56 7.717 7.717 7.980 -0.263 18226 9705 1 28 . 1 1 57 57 LYS N N 57 118.349 118.349 118.264 0.085 18226 9706 1 28 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.044 0.245 18226 9707 1 28 . 1 1 57 57 LYS C C 57 176.891 176.891 176.696 0.195 18226 9708 1 28 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.606 -1.233 18226 9709 1 28 . 1 1 57 57 LYS CB C 57 32.864 32.864 31.979 0.885 18226 9710 1 28 . 1 1 57 57 LYS H H 57 7.872 7.872 7.984 -0.112 18226 9711 1 28 . 1 1 58 58 GLY N N 58 107.442 107.442 106.569 0.873 18226 9712 1 28 . 1 1 58 58 GLY C C 58 173.263 173.263 173.919 -0.656 18226 9713 1 28 . 1 1 58 58 GLY CA C 58 45.557 45.557 45.086 0.471 18226 9714 1 28 . 1 1 58 58 GLY H H 58 8.060 8.060 7.841 0.219 18226 9715 1 28 . 1 1 59 59 HIS N N 59 116.928 116.928 120.544 -3.616 18226 9716 1 28 . 1 1 59 59 HIS HA H 59 4.668 4.668 3.978 0.690 18226 9717 1 28 . 1 1 59 59 HIS C C 59 173.935 173.935 175.794 -1.859 18226 9718 1 28 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.261 -3.176 18226 9719 1 28 . 1 1 59 59 HIS CB C 59 29.223 29.223 28.012 1.211 18226 9720 1 28 . 1 1 59 59 HIS H H 59 8.076 8.076 8.610 -0.534 18226 9721 1 28 . 1 1 60 60 HIS N N 60 119.187 119.187 117.389 1.798 18226 9722 1 28 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.361 0.310 18226 9723 1 28 . 1 1 60 60 HIS C C 60 173.926 173.926 174.746 -0.820 18226 9724 1 28 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.415 -0.986 18226 9725 1 28 . 1 1 60 60 HIS CB C 60 29.157 29.157 29.822 -0.665 18226 9726 1 28 . 1 1 60 60 HIS H H 60 8.547 8.547 7.313 1.234 18226 9727 1 28 . 1 1 61 61 HIS N N 61 120.017 120.017 118.193 1.824 18226 9728 1 28 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.118 0.549 18226 9729 1 28 . 1 1 61 61 HIS C C 61 173.994 173.994 174.331 -0.337 18226 9730 1 28 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.611 -0.179 18226 9731 1 28 . 1 1 61 61 HIS CB C 61 29.201 29.201 29.204 -0.003 18226 9732 1 28 . 1 1 61 61 HIS H H 61 8.662 8.662 7.963 0.699 18226 9733 1 28 . 1 1 62 62 HIS N N 62 120.463 120.463 125.027 -4.564 18226 9734 1 28 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.393 0.264 18226 9735 1 28 . 1 1 62 62 HIS C C 62 173.939 173.939 174.139 -0.200 18226 9736 1 28 . 1 1 62 62 HIS CA C 62 55.376 55.376 54.969 0.407 18226 9737 1 28 . 1 1 62 62 HIS CB C 62 29.291 29.291 28.438 0.854 18226 9738 1 28 . 1 1 62 62 HIS H H 62 8.729 8.729 8.312 0.417 18226 9739 1 28 . 1 1 63 63 HIS N N 63 120.370 120.370 122.623 -2.253 18226 9740 1 28 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.488 0.170 18226 9741 1 28 . 1 1 63 63 HIS C C 63 173.564 173.564 174.208 -0.644 18226 9742 1 28 . 1 1 63 63 HIS CA C 63 55.608 55.608 54.291 1.317 18226 9743 1 28 . 1 1 63 63 HIS CB C 63 29.365 29.365 28.570 0.795 18226 9744 1 28 . 1 1 63 63 HIS H H 63 8.619 8.619 7.665 0.954 18226 9745 1 29 . 1 1 2 2 GLU N N 2 123.545 123.545 121.651 1.894 18226 9746 1 29 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.224 0.162 18226 9747 1 29 . 1 1 2 2 GLU C C 2 175.742 175.742 175.265 0.477 18226 9748 1 29 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.536 -0.173 18226 9749 1 29 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.199 -0.444 18226 9750 1 29 . 1 1 2 2 GLU H H 2 8.765 8.765 8.409 0.356 18226 9751 1 29 . 1 1 3 3 GLU N N 3 122.227 122.227 122.447 -0.220 18226 9752 1 29 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.358 -0.025 18226 9753 1 29 . 1 1 3 3 GLU C C 3 176.636 176.636 177.369 -0.733 18226 9754 1 29 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.616 -0.128 18226 9755 1 29 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.805 -0.048 18226 9756 1 29 . 1 1 3 3 GLU H H 3 8.550 8.550 8.515 0.035 18226 9757 1 29 . 1 1 4 4 GLY N N 4 110.108 110.108 105.005 5.103 18226 9758 1 29 . 1 1 4 4 GLY C C 4 174.548 174.548 174.904 -0.356 18226 9759 1 29 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.732 -0.257 18226 9760 1 29 . 1 1 4 4 GLY H H 4 8.453 8.453 8.536 -0.083 18226 9761 1 29 . 1 1 5 5 GLY N N 5 108.466 108.466 109.131 -0.665 18226 9762 1 29 . 1 1 5 5 GLY C C 5 173.790 173.790 175.247 -1.457 18226 9763 1 29 . 1 1 5 5 GLY CA C 5 45.364 45.364 46.337 -0.973 18226 9764 1 29 . 1 1 5 5 GLY H H 5 8.168 8.168 8.722 -0.554 18226 9765 1 29 . 1 1 6 6 ASP N N 6 119.764 119.764 120.880 -1.116 18226 9766 1 29 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.747 -0.165 18226 9767 1 29 . 1 1 6 6 ASP C C 6 175.811 175.811 176.389 -0.578 18226 9768 1 29 . 1 1 6 6 ASP CA C 6 53.992 53.992 53.508 0.484 18226 9769 1 29 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.889 -1.632 18226 9770 1 29 . 1 1 6 6 ASP H H 6 8.187 8.187 8.291 -0.104 18226 9771 1 29 . 1 1 7 7 PHE N N 7 119.941 119.941 121.082 -1.141 18226 9772 1 29 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.179 0.387 18226 9773 1 29 . 1 1 7 7 PHE C C 7 175.636 175.636 174.552 1.084 18226 9774 1 29 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.589 -0.518 18226 9775 1 29 . 1 1 7 7 PHE CB C 7 39.319 39.319 37.984 1.335 18226 9776 1 29 . 1 1 7 7 PHE H H 7 8.103 8.103 8.277 -0.174 18226 9777 1 29 . 1 1 8 8 ASP N N 8 120.418 120.418 117.601 2.817 18226 9778 1 29 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.163 0.374 18226 9779 1 29 . 1 1 8 8 ASP C C 8 175.548 175.548 174.432 1.116 18226 9780 1 29 . 1 1 8 8 ASP CA C 8 54.373 54.373 55.717 -1.344 18226 9781 1 29 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.362 0.024 18226 9782 1 29 . 1 1 8 8 ASP H H 8 8.177 8.177 8.684 -0.507 18226 9783 1 29 . 1 1 9 9 ASN N N 9 118.260 118.260 116.898 1.362 18226 9784 1 29 . 1 1 9 9 ASN HA H 9 4.587 4.587 5.032 -0.445 18226 9785 1 29 . 1 1 9 9 ASN C C 9 174.782 174.782 174.692 0.090 18226 9786 1 29 . 1 1 9 9 ASN CA C 9 53.397 53.397 51.900 1.497 18226 9787 1 29 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.918 -1.156 18226 9788 1 29 . 1 1 9 9 ASN H H 9 8.057 8.057 7.802 0.255 18226 9789 1 29 . 1 1 10 10 TYR N N 10 120.145 120.145 120.980 -0.835 18226 9790 1 29 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.208 0.231 18226 9791 1 29 . 1 1 10 10 TYR C C 10 175.520 175.520 172.999 2.521 18226 9792 1 29 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.763 -1.394 18226 9793 1 29 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.981 0.768 18226 9794 1 29 . 1 1 10 10 TYR H H 10 7.951 7.951 8.706 -0.755 18226 9795 1 29 . 1 1 11 11 TYR N N 11 121.223 121.223 118.673 2.550 18226 9796 1 29 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.520 -0.021 18226 9797 1 29 . 1 1 11 11 TYR C C 11 175.974 175.974 175.090 0.884 18226 9798 1 29 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.989 0.084 18226 9799 1 29 . 1 1 11 11 TYR CB C 11 38.671 38.671 40.729 -2.058 18226 9800 1 29 . 1 1 11 11 TYR H H 11 7.971 7.971 7.517 0.454 18226 9801 1 29 . 1 1 12 12 GLY N N 12 109.861 109.861 110.832 -0.971 18226 9802 1 29 . 1 1 12 12 GLY C C 12 173.775 173.775 174.023 -0.248 18226 9803 1 29 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.873 -0.493 18226 9804 1 29 . 1 1 12 12 GLY H H 12 7.769 7.769 8.350 -0.581 18226 9805 1 29 . 1 1 13 13 ALA N N 13 123.378 123.378 120.977 2.401 18226 9806 1 29 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.567 -0.265 18226 9807 1 29 . 1 1 13 13 ALA C C 13 177.509 177.509 176.281 1.228 18226 9808 1 29 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.299 0.328 18226 9809 1 29 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.616 -0.172 18226 9810 1 29 . 1 1 13 13 ALA H H 13 7.975 7.975 7.619 0.356 18226 9811 1 29 . 1 1 14 14 ASP N N 14 118.494 118.494 117.569 0.925 18226 9812 1 29 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.470 0.164 18226 9813 1 29 . 1 1 14 14 ASP C C 14 175.747 175.747 174.590 1.157 18226 9814 1 29 . 1 1 14 14 ASP CA C 14 54.002 54.002 55.078 -1.076 18226 9815 1 29 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.380 -0.218 18226 9816 1 29 . 1 1 14 14 ASP H H 14 8.307 8.307 8.772 -0.465 18226 9817 1 29 . 1 1 15 15 ASN N N 15 118.834 118.834 113.607 5.227 18226 9818 1 29 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.388 0.274 18226 9819 1 29 . 1 1 15 15 ASN C C 15 175.258 175.258 175.236 0.022 18226 9820 1 29 . 1 1 15 15 ASN CA C 15 53.515 53.515 54.471 -0.956 18226 9821 1 29 . 1 1 15 15 ASN CB C 15 38.757 38.757 37.550 1.207 18226 9822 1 29 . 1 1 15 15 ASN H H 15 8.221 8.221 8.515 -0.294 18226 9823 1 29 . 1 1 16 16 GLN N N 16 120.413 120.413 122.374 -1.961 18226 9824 1 29 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.439 -0.084 18226 9825 1 29 . 1 1 16 16 GLN C C 16 176.096 176.096 176.651 -0.555 18226 9826 1 29 . 1 1 16 16 GLN CA C 16 56.240 56.240 56.717 -0.477 18226 9827 1 29 . 1 1 16 16 GLN CB C 16 29.370 29.370 29.360 0.010 18226 9828 1 29 . 1 1 16 16 GLN H H 16 8.295 8.295 8.501 -0.206 18226 9829 1 29 . 1 1 17 17 SER N N 17 116.692 116.692 113.529 3.163 18226 9830 1 29 . 1 1 17 17 SER HA H 17 4.428 4.428 4.516 -0.088 18226 9831 1 29 . 1 1 17 17 SER C C 17 174.523 174.523 174.112 0.411 18226 9832 1 29 . 1 1 17 17 SER CA C 17 58.683 58.683 58.332 0.351 18226 9833 1 29 . 1 1 17 17 SER CB C 17 63.794 63.794 63.583 0.211 18226 9834 1 29 . 1 1 17 17 SER H H 17 8.267 8.267 8.001 0.266 18226 9835 1 29 . 1 1 18 18 GLU N N 18 122.142 122.142 122.388 -0.246 18226 9836 1 29 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.180 0.183 18226 9837 1 29 . 1 1 18 18 GLU C C 18 175.937 175.937 176.394 -0.457 18226 9838 1 29 . 1 1 18 18 GLU CA C 18 56.305 56.305 58.625 -2.320 18226 9839 1 29 . 1 1 18 18 GLU CB C 18 29.506 29.506 29.704 -0.198 18226 9840 1 29 . 1 1 18 18 GLU H H 18 8.330 8.330 8.485 -0.155 18226 9841 1 29 . 1 1 19 19 CYS N N 19 120.077 120.077 117.503 2.574 18226 9842 1 29 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.427 0.005 18226 9843 1 29 . 1 1 19 19 CYS C C 19 174.442 174.442 174.670 -0.228 18226 9844 1 29 . 1 1 19 19 CYS CA C 19 58.613 58.613 59.124 -0.511 18226 9845 1 29 . 1 1 19 19 CYS CB C 19 27.999 27.999 26.693 1.306 18226 9846 1 29 . 1 1 19 19 CYS H H 19 8.276 8.276 8.063 0.213 18226 9847 1 29 . 1 1 20 20 GLU N N 20 123.369 123.369 120.387 2.982 18226 9848 1 29 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.303 0.000 18226 9849 1 29 . 1 1 20 20 GLU C C 20 175.858 175.858 176.283 -0.425 18226 9850 1 29 . 1 1 20 20 GLU CA C 20 56.457 56.457 57.684 -1.226 18226 9851 1 29 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.384 -0.234 18226 9852 1 29 . 1 1 20 20 GLU H H 20 8.400 8.400 8.732 -0.332 18226 9853 1 29 . 1 1 21 21 TYR N N 21 119.980 119.980 114.825 5.155 18226 9854 1 29 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.807 -0.263 18226 9855 1 29 . 1 1 21 21 TYR C C 21 175.669 175.669 175.300 0.369 18226 9856 1 29 . 1 1 21 21 TYR CA C 21 58.103 58.103 58.354 -0.251 18226 9857 1 29 . 1 1 21 21 TYR CB C 21 38.677 38.677 39.525 -0.848 18226 9858 1 29 . 1 1 21 21 TYR H H 21 7.991 7.991 7.881 0.110 18226 9859 1 29 . 1 1 22 22 THR N N 22 113.984 113.984 113.108 0.876 18226 9860 1 29 . 1 1 22 22 THR HA H 22 4.164 4.164 4.211 -0.047 18226 9861 1 29 . 1 1 22 22 THR C C 22 174.259 174.259 174.492 -0.233 18226 9862 1 29 . 1 1 22 22 THR CA C 22 62.381 62.381 63.350 -0.969 18226 9863 1 29 . 1 1 22 22 THR CB C 22 69.551 69.551 70.704 -1.153 18226 9864 1 29 . 1 1 22 22 THR H H 22 7.821 7.821 7.682 0.139 18226 9865 1 29 . 1 1 23 23 ASP N N 23 121.930 121.930 123.643 -1.713 18226 9866 1 29 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.655 0.016 18226 9867 1 29 . 1 1 23 23 ASP C C 23 176.164 176.164 176.376 -0.212 18226 9868 1 29 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.583 -0.902 18226 9869 1 29 . 1 1 23 23 ASP CB C 23 39.606 39.606 40.746 -1.140 18226 9870 1 29 . 1 1 23 23 ASP H H 23 8.106 8.106 8.676 -0.570 18226 9871 1 29 . 1 1 24 24 TRP N N 24 121.947 121.947 116.185 5.762 18226 9872 1 29 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.756 -0.274 18226 9873 1 29 . 1 1 24 24 TRP C C 24 176.496 176.496 175.016 1.480 18226 9874 1 29 . 1 1 24 24 TRP CA C 24 58.238 58.238 56.686 1.552 18226 9875 1 29 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.640 0.549 18226 9876 1 29 . 1 1 24 24 TRP H H 24 7.991 7.991 7.992 -0.001 18226 9877 1 29 . 1 1 25 25 LYS N N 25 119.673 119.673 116.056 3.617 18226 9878 1 29 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.011 -0.022 18226 9879 1 29 . 1 1 25 25 LYS C C 25 176.770 176.770 175.661 1.109 18226 9880 1 29 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.257 2.210 18226 9881 1 29 . 1 1 25 25 LYS CB C 25 31.953 31.953 32.061 -0.108 18226 9882 1 29 . 1 1 25 25 LYS H H 25 7.588 7.588 7.032 0.556 18226 9883 1 29 . 1 1 26 26 SER N N 26 114.157 114.157 115.684 -1.527 18226 9884 1 29 . 1 1 26 26 SER HA H 26 4.462 4.462 4.548 -0.086 18226 9885 1 29 . 1 1 26 26 SER C C 26 175.126 175.126 174.058 1.068 18226 9886 1 29 . 1 1 26 26 SER CA C 26 58.673 58.673 57.617 1.056 18226 9887 1 29 . 1 1 26 26 SER CB C 26 63.801 63.801 64.190 -0.389 18226 9888 1 29 . 1 1 26 26 SER H H 26 7.823 7.823 7.739 0.084 18226 9889 1 29 . 1 1 27 27 SER N N 27 117.353 117.353 118.372 -1.019 18226 9890 1 29 . 1 1 27 27 SER HA H 27 4.288 4.288 4.361 -0.073 18226 9891 1 29 . 1 1 27 27 SER C C 27 175.598 175.598 174.743 0.855 18226 9892 1 29 . 1 1 27 27 SER CA C 27 60.216 60.216 58.537 1.679 18226 9893 1 29 . 1 1 27 27 SER CB C 27 63.684 63.684 62.626 1.058 18226 9894 1 29 . 1 1 27 27 SER H H 27 8.178 8.178 8.095 0.083 18226 9895 1 29 . 1 1 28 28 GLY N N 28 110.249 110.249 107.475 2.774 18226 9896 1 29 . 1 1 28 28 GLY C C 28 174.667 174.667 173.211 1.456 18226 9897 1 29 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.227 1.049 18226 9898 1 29 . 1 1 28 28 GLY H H 28 8.359 8.359 7.484 0.875 18226 9899 1 29 . 1 1 29 29 ALA N N 29 121.959 121.959 121.753 0.206 18226 9900 1 29 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.627 -0.299 18226 9901 1 29 . 1 1 29 29 ALA C C 29 177.873 177.873 176.099 1.774 18226 9902 1 29 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.348 -0.087 18226 9903 1 29 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.980 -0.343 18226 9904 1 29 . 1 1 29 29 ALA H H 29 7.931 7.931 7.631 0.300 18226 9905 1 29 . 1 1 30 30 LEU N N 30 117.460 117.460 117.081 0.379 18226 9906 1 29 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.448 -0.240 18226 9907 1 29 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.990 1.401 18226 9908 1 29 . 1 1 30 30 LEU CB C 30 42.605 42.605 43.087 -0.482 18226 9909 1 29 . 1 1 30 30 LEU H H 30 7.924 7.924 7.839 0.085 18226 9910 1 29 . 1 1 31 31 ILE N N 31 117.379 117.379 121.363 -3.984 18226 9911 1 29 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.133 -0.210 18226 9912 1 29 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.574 2.437 18226 9913 1 29 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.023 -0.800 18226 9914 1 29 . 1 1 31 31 ILE H H 31 8.100 8.100 8.356 -0.256 18226 9915 1 29 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.591 -0.273 18226 9916 1 29 . 1 1 32 32 PRO C C 32 178.706 178.706 175.818 2.888 18226 9917 1 29 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.176 2.855 18226 9918 1 29 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.347 0.920 18226 9919 1 29 . 1 1 33 33 ALA N N 33 119.040 119.040 120.671 -1.631 18226 9920 1 29 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.518 -0.323 18226 9921 1 29 . 1 1 33 33 ALA C C 33 179.052 179.052 176.949 2.103 18226 9922 1 29 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.523 2.870 18226 9923 1 29 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.472 -1.941 18226 9924 1 29 . 1 1 33 33 ALA H H 33 7.462 7.462 7.858 -0.396 18226 9925 1 29 . 1 1 34 34 ILE N N 34 118.037 118.037 116.330 1.707 18226 9926 1 29 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.224 -0.502 18226 9927 1 29 . 1 1 34 34 ILE C C 34 177.827 177.827 176.681 1.146 18226 9928 1 29 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.371 2.652 18226 9929 1 29 . 1 1 34 34 ILE CB C 34 37.341 37.341 40.206 -2.865 18226 9930 1 29 . 1 1 34 34 ILE H H 34 8.176 8.176 7.484 0.692 18226 9931 1 29 . 1 1 35 35 TYR N N 35 118.783 118.783 120.844 -2.061 18226 9932 1 29 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.291 -0.146 18226 9933 1 29 . 1 1 35 35 TYR C C 35 178.062 178.062 176.429 1.633 18226 9934 1 29 . 1 1 35 35 TYR CA C 35 61.548 61.548 61.492 0.056 18226 9935 1 29 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.623 -0.881 18226 9936 1 29 . 1 1 35 35 TYR H H 35 8.306 8.306 7.727 0.579 18226 9937 1 29 . 1 1 36 36 MET N N 36 118.068 118.068 117.912 0.156 18226 9938 1 29 . 1 1 36 36 MET HA H 36 4.317 4.317 4.611 -0.294 18226 9939 1 29 . 1 1 36 36 MET C C 36 178.183 178.183 177.409 0.774 18226 9940 1 29 . 1 1 36 36 MET CA C 36 58.533 58.533 56.760 1.774 18226 9941 1 29 . 1 1 36 36 MET CB C 36 32.288 32.288 32.598 -0.310 18226 9942 1 29 . 1 1 36 36 MET H H 36 8.090 8.090 7.821 0.269 18226 9943 1 29 . 1 1 37 37 LEU N N 37 120.316 120.316 115.070 5.246 18226 9944 1 29 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.363 -0.248 18226 9945 1 29 . 1 1 37 37 LEU C C 37 178.353 178.353 176.688 1.665 18226 9946 1 29 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.407 1.923 18226 9947 1 29 . 1 1 37 37 LEU CB C 37 41.914 41.914 40.697 1.217 18226 9948 1 29 . 1 1 37 37 LEU H H 37 8.106 8.106 7.977 0.129 18226 9949 1 29 . 1 1 38 38 VAL N N 38 118.385 118.385 117.704 0.681 18226 9950 1 29 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.096 -0.567 18226 9951 1 29 . 1 1 38 38 VAL C C 38 178.216 178.216 177.015 1.201 18226 9952 1 29 . 1 1 38 38 VAL CA C 38 67.042 67.042 64.414 2.628 18226 9953 1 29 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.877 -1.252 18226 9954 1 29 . 1 1 38 38 VAL H H 38 8.305 8.305 7.200 1.105 18226 9955 1 29 . 1 1 39 39 PHE N N 39 120.216 120.216 120.929 -0.713 18226 9956 1 29 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.052 0.209 18226 9957 1 29 . 1 1 39 39 PHE C C 39 178.597 178.597 175.350 3.247 18226 9958 1 29 . 1 1 39 39 PHE CA C 39 61.320 61.320 61.605 -0.285 18226 9959 1 29 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.319 -0.430 18226 9960 1 29 . 1 1 39 39 PHE H H 39 8.196 8.196 8.126 0.070 18226 9961 1 29 . 1 1 40 40 LEU N N 40 120.772 120.772 116.902 3.870 18226 9962 1 29 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.403 -0.353 18226 9963 1 29 . 1 1 40 40 LEU C C 40 179.666 179.666 175.291 4.375 18226 9964 1 29 . 1 1 40 40 LEU CA C 40 57.906 57.906 53.966 3.940 18226 9965 1 29 . 1 1 40 40 LEU CB C 40 42.340 42.340 42.011 0.329 18226 9966 1 29 . 1 1 40 40 LEU H H 40 8.452 8.452 7.408 1.044 18226 9967 1 29 . 1 1 41 41 LEU N N 41 119.185 119.185 119.910 -0.725 18226 9968 1 29 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.466 -0.367 18226 9969 1 29 . 1 1 41 41 LEU C C 41 178.878 178.878 176.010 2.868 18226 9970 1 29 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.748 0.638 18226 9971 1 29 . 1 1 41 41 LEU CB C 41 41.855 41.855 42.848 -0.993 18226 9972 1 29 . 1 1 41 41 LEU H H 41 8.435 8.435 8.120 0.315 18226 9973 1 29 . 1 1 42 42 GLY N N 42 105.718 105.718 105.074 0.644 18226 9974 1 29 . 1 1 42 42 GLY C C 42 174.908 174.908 174.727 0.181 18226 9975 1 29 . 1 1 42 42 GLY CA C 42 46.642 46.642 47.085 -0.443 18226 9976 1 29 . 1 1 42 42 GLY H H 42 8.208 8.208 7.852 0.356 18226 9977 1 29 . 1 1 43 43 THR N N 43 111.959 111.959 114.000 -2.041 18226 9978 1 29 . 1 1 43 43 THR HA H 43 4.348 4.348 4.283 0.065 18226 9979 1 29 . 1 1 43 43 THR C C 43 175.665 175.665 173.709 1.956 18226 9980 1 29 . 1 1 43 43 THR CA C 43 63.097 63.097 62.055 1.042 18226 9981 1 29 . 1 1 43 43 THR CB C 43 69.867 69.867 69.201 0.666 18226 9982 1 29 . 1 1 43 43 THR H H 43 7.789 7.789 7.188 0.601 18226 9983 1 29 . 1 1 44 44 THR N N 44 113.271 113.271 113.850 -0.579 18226 9984 1 29 . 1 1 44 44 THR HA H 44 4.308 4.308 3.834 0.474 18226 9985 1 29 . 1 1 44 44 THR C C 44 175.754 175.754 175.142 0.612 18226 9986 1 29 . 1 1 44 44 THR CA C 44 63.194 63.194 63.619 -0.425 18226 9987 1 29 . 1 1 44 44 THR CB C 44 70.171 70.171 67.990 2.181 18226 9988 1 29 . 1 1 44 44 THR H H 44 7.833 7.833 8.311 -0.478 18226 9989 1 29 . 1 1 45 45 GLY N N 45 109.879 109.879 108.264 1.615 18226 9990 1 29 . 1 1 45 45 GLY C C 45 175.221 175.221 174.253 0.968 18226 9991 1 29 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.136 1.403 18226 9992 1 29 . 1 1 45 45 GLY H H 45 8.259 8.259 7.781 0.478 18226 9993 1 29 . 1 1 46 46 ASN N N 46 117.998 117.998 118.281 -0.283 18226 9994 1 29 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.729 -0.117 18226 9995 1 29 . 1 1 46 46 ASN C C 46 176.215 176.215 176.602 -0.387 18226 9996 1 29 . 1 1 46 46 ASN CA C 46 54.840 54.840 54.184 0.656 18226 9997 1 29 . 1 1 46 46 ASN CB C 46 38.566 38.566 39.364 -0.798 18226 9998 1 29 . 1 1 46 46 ASN H H 46 8.235 8.235 8.017 0.218 18226 9999 1 29 . 1 1 47 47 GLY N N 47 106.990 106.990 107.268 -0.278 18226 10000 1 29 . 1 1 47 47 GLY C C 47 174.659 174.659 173.906 0.753 18226 10001 1 29 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.538 1.441 18226 10002 1 29 . 1 1 47 47 GLY H H 47 8.425 8.425 7.595 0.830 18226 10003 1 29 . 1 1 48 48 LEU N N 48 120.699 120.699 116.961 3.738 18226 10004 1 29 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.823 -0.523 18226 10005 1 29 . 1 1 48 48 LEU C C 48 179.482 179.482 177.264 2.218 18226 10006 1 29 . 1 1 48 48 LEU CA C 48 57.445 57.445 53.443 4.003 18226 10007 1 29 . 1 1 48 48 LEU CB C 48 41.566 41.566 43.387 -1.821 18226 10008 1 29 . 1 1 48 48 LEU H H 48 7.956 7.956 7.267 0.689 18226 10009 1 29 . 1 1 49 49 VAL N N 49 120.101 120.101 116.703 3.398 18226 10010 1 29 . 1 1 49 49 VAL HA H 49 3.879 3.879 3.611 0.268 18226 10011 1 29 . 1 1 49 49 VAL C C 49 177.535 177.535 178.120 -0.585 18226 10012 1 29 . 1 1 49 49 VAL CA C 49 65.862 65.862 65.348 0.514 18226 10013 1 29 . 1 1 49 49 VAL CB C 49 31.779 31.779 29.982 1.797 18226 10014 1 29 . 1 1 49 49 VAL H H 49 7.919 7.919 8.511 -0.592 18226 10015 1 29 . 1 1 50 50 LEU N N 50 119.268 119.268 120.623 -1.355 18226 10016 1 29 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.236 -0.193 18226 10017 1 29 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.698 0.147 18226 10018 1 29 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.020 -0.143 18226 10019 1 29 . 1 1 50 50 LEU H H 50 7.731 7.731 8.374 -0.643 18226 10020 1 29 . 1 1 51 51 TRP N N 51 118.033 118.033 119.105 -1.072 18226 10021 1 29 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.264 0.328 18226 10022 1 29 . 1 1 51 51 TRP C C 51 177.302 177.302 177.638 -0.336 18226 10023 1 29 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.679 0.110 18226 10024 1 29 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.587 0.620 18226 10025 1 29 . 1 1 51 51 TRP H H 51 8.070 8.070 7.745 0.325 18226 10026 1 29 . 1 1 52 52 THR N N 52 113.014 113.014 112.592 0.422 18226 10027 1 29 . 1 1 52 52 THR HA H 52 3.746 3.746 4.239 -0.493 18226 10028 1 29 . 1 1 52 52 THR C C 52 176.361 176.361 175.469 0.892 18226 10029 1 29 . 1 1 52 52 THR CA C 52 66.443 66.443 64.647 1.796 18226 10030 1 29 . 1 1 52 52 THR CB C 52 69.017 69.017 68.028 0.989 18226 10031 1 29 . 1 1 52 52 THR H H 52 8.101 8.101 7.755 0.346 18226 10032 1 29 . 1 1 53 53 VAL N N 53 120.231 120.231 119.271 0.960 18226 10033 1 29 . 1 1 53 53 VAL HA H 53 3.678 3.678 4.234 -0.556 18226 10034 1 29 . 1 1 53 53 VAL C C 53 177.482 177.482 175.521 1.961 18226 10035 1 29 . 1 1 53 53 VAL CA C 53 66.158 66.158 62.664 3.494 18226 10036 1 29 . 1 1 53 53 VAL CB C 53 31.767 31.767 33.112 -1.345 18226 10037 1 29 . 1 1 53 53 VAL H H 53 7.905 7.905 8.296 -0.391 18226 10038 1 29 . 1 1 54 54 PHE N N 54 118.609 118.609 117.848 0.761 18226 10039 1 29 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.489 -0.256 18226 10040 1 29 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.400 2.266 18226 10041 1 29 . 1 1 54 54 PHE CB C 54 39.258 39.258 40.912 -1.654 18226 10042 1 29 . 1 1 54 54 PHE H H 54 8.025 8.025 7.457 0.568 18226 10043 1 29 . 1 1 55 55 ARG N N 55 117.305 117.305 120.727 -3.422 18226 10044 1 29 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.232 -0.424 18226 10045 1 29 . 1 1 55 55 ARG CA C 55 57.710 57.710 58.341 -0.631 18226 10046 1 29 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.537 -0.874 18226 10047 1 29 . 1 1 55 55 ARG H H 55 8.025 8.025 8.031 -0.006 18226 10048 1 29 . 1 1 56 56 LYS N N 56 118.321 118.321 120.004 -1.683 18226 10049 1 29 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.016 0.154 18226 10050 1 29 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.961 -1.521 18226 10051 1 29 . 1 1 56 56 LYS CB C 56 32.929 32.929 32.285 0.644 18226 10052 1 29 . 1 1 56 56 LYS H H 56 7.717 7.717 8.491 -0.774 18226 10053 1 29 . 1 1 57 57 LYS N N 57 118.349 118.349 118.335 0.014 18226 10054 1 29 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.237 0.052 18226 10055 1 29 . 1 1 57 57 LYS C C 57 176.891 176.891 177.400 -0.509 18226 10056 1 29 . 1 1 57 57 LYS CA C 57 56.373 56.373 56.667 -0.294 18226 10057 1 29 . 1 1 57 57 LYS CB C 57 32.864 32.864 31.897 0.967 18226 10058 1 29 . 1 1 57 57 LYS H H 57 7.872 7.872 8.029 -0.157 18226 10059 1 29 . 1 1 58 58 GLY N N 58 107.442 107.442 107.114 0.328 18226 10060 1 29 . 1 1 58 58 GLY C C 58 173.263 173.263 174.752 -1.489 18226 10061 1 29 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.389 1.167 18226 10062 1 29 . 1 1 58 58 GLY H H 58 8.060 8.060 7.094 0.966 18226 10063 1 29 . 1 1 59 59 HIS N N 59 116.928 116.928 117.345 -0.417 18226 10064 1 29 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.128 0.540 18226 10065 1 29 . 1 1 59 59 HIS C C 59 173.935 173.935 174.495 -0.560 18226 10066 1 29 . 1 1 59 59 HIS CA C 59 55.085 55.085 57.065 -1.980 18226 10067 1 29 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.255 -0.032 18226 10068 1 29 . 1 1 59 59 HIS H H 59 8.076 8.076 8.014 0.062 18226 10069 1 29 . 1 1 60 60 HIS N N 60 119.187 119.187 117.122 2.065 18226 10070 1 29 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.608 0.063 18226 10071 1 29 . 1 1 60 60 HIS C C 60 173.926 173.926 174.309 -0.383 18226 10072 1 29 . 1 1 60 60 HIS CA C 60 55.429 55.429 55.748 -0.319 18226 10073 1 29 . 1 1 60 60 HIS CB C 60 29.157 29.157 31.660 -2.503 18226 10074 1 29 . 1 1 60 60 HIS H H 60 8.547 8.547 8.038 0.509 18226 10075 1 29 . 1 1 61 61 HIS N N 61 120.017 120.017 120.242 -0.225 18226 10076 1 29 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.127 0.540 18226 10077 1 29 . 1 1 61 61 HIS C C 61 173.994 173.994 173.266 0.728 18226 10078 1 29 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.401 -0.968 18226 10079 1 29 . 1 1 61 61 HIS CB C 61 29.201 29.201 29.183 0.018 18226 10080 1 29 . 1 1 61 61 HIS H H 61 8.662 8.662 8.213 0.449 18226 10081 1 29 . 1 1 62 62 HIS N N 62 120.463 120.463 121.075 -0.612 18226 10082 1 29 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.754 -0.097 18226 10083 1 29 . 1 1 62 62 HIS C C 62 173.939 173.939 176.010 -2.071 18226 10084 1 29 . 1 1 62 62 HIS CA C 62 55.376 55.376 56.257 -0.881 18226 10085 1 29 . 1 1 62 62 HIS CB C 62 29.291 29.291 29.373 -0.082 18226 10086 1 29 . 1 1 62 62 HIS H H 62 8.729 8.729 8.432 0.297 18226 10087 1 29 . 1 1 63 63 HIS N N 63 120.370 120.370 117.680 2.690 18226 10088 1 29 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.861 -0.203 18226 10089 1 29 . 1 1 63 63 HIS C C 63 173.564 173.564 174.516 -0.952 18226 10090 1 29 . 1 1 63 63 HIS CA C 63 55.608 55.608 54.691 0.917 18226 10091 1 29 . 1 1 63 63 HIS CB C 63 29.365 29.365 28.173 1.192 18226 10092 1 29 . 1 1 63 63 HIS H H 63 8.619 8.619 8.747 -0.128 18226 10093 1 30 . 1 1 2 2 GLU N N 2 123.545 123.545 119.058 4.487 18226 10094 1 30 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.558 -0.172 18226 10095 1 30 . 1 1 2 2 GLU C C 2 175.742 175.742 174.774 0.968 18226 10096 1 30 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.305 0.058 18226 10097 1 30 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.488 0.268 18226 10098 1 30 . 1 1 2 2 GLU H H 2 8.765 8.765 8.451 0.314 18226 10099 1 30 . 1 1 3 3 GLU N N 3 122.227 122.227 122.244 -0.017 18226 10100 1 30 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.300 0.033 18226 10101 1 30 . 1 1 3 3 GLU C C 3 176.636 176.636 176.432 0.204 18226 10102 1 30 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.358 0.130 18226 10103 1 30 . 1 1 3 3 GLU CB C 3 29.757 29.757 28.761 0.997 18226 10104 1 30 . 1 1 3 3 GLU H H 3 8.550 8.550 8.684 -0.134 18226 10105 1 30 . 1 1 4 4 GLY N N 4 110.108 110.108 110.599 -0.491 18226 10106 1 30 . 1 1 4 4 GLY C C 4 174.548 174.548 174.982 -0.434 18226 10107 1 30 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.970 0.505 18226 10108 1 30 . 1 1 4 4 GLY H H 4 8.453 8.453 8.411 0.042 18226 10109 1 30 . 1 1 5 5 GLY N N 5 108.466 108.466 105.176 3.290 18226 10110 1 30 . 1 1 5 5 GLY C C 5 173.790 173.790 173.135 0.655 18226 10111 1 30 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.932 -0.568 18226 10112 1 30 . 1 1 5 5 GLY H H 5 8.168 8.168 8.476 -0.308 18226 10113 1 30 . 1 1 6 6 ASP N N 6 119.764 119.764 118.994 0.770 18226 10114 1 30 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.590 -0.007 18226 10115 1 30 . 1 1 6 6 ASP C C 6 175.811 175.811 174.337 1.474 18226 10116 1 30 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.211 -0.219 18226 10117 1 30 . 1 1 6 6 ASP CB C 6 40.257 40.257 40.987 -0.730 18226 10118 1 30 . 1 1 6 6 ASP H H 6 8.187 8.187 7.990 0.197 18226 10119 1 30 . 1 1 7 7 PHE N N 7 119.941 119.941 120.187 -0.246 18226 10120 1 30 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.699 -0.133 18226 10121 1 30 . 1 1 7 7 PHE C C 7 175.636 175.636 174.223 1.413 18226 10122 1 30 . 1 1 7 7 PHE CA C 7 58.071 58.071 57.776 0.295 18226 10123 1 30 . 1 1 7 7 PHE CB C 7 39.319 39.319 40.445 -1.126 18226 10124 1 30 . 1 1 7 7 PHE H H 7 8.103 8.103 7.964 0.139 18226 10125 1 30 . 1 1 8 8 ASP N N 8 120.418 120.418 121.516 -1.098 18226 10126 1 30 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.742 -0.205 18226 10127 1 30 . 1 1 8 8 ASP C C 8 175.548 175.548 175.052 0.496 18226 10128 1 30 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.084 0.289 18226 10129 1 30 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.276 -0.889 18226 10130 1 30 . 1 1 8 8 ASP H H 8 8.177 8.177 8.255 -0.078 18226 10131 1 30 . 1 1 9 9 ASN N N 9 118.260 118.260 119.166 -0.906 18226 10132 1 30 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.731 -0.144 18226 10133 1 30 . 1 1 9 9 ASN C C 9 174.782 174.782 174.528 0.254 18226 10134 1 30 . 1 1 9 9 ASN CA C 9 53.397 53.397 52.350 1.046 18226 10135 1 30 . 1 1 9 9 ASN CB C 9 38.762 38.762 38.588 0.174 18226 10136 1 30 . 1 1 9 9 ASN H H 9 8.057 8.057 7.933 0.124 18226 10137 1 30 . 1 1 10 10 TYR N N 10 120.145 120.145 118.659 1.486 18226 10138 1 30 . 1 1 10 10 TYR HA H 10 4.439 4.439 3.845 0.594 18226 10139 1 30 . 1 1 10 10 TYR C C 10 175.520 175.520 174.700 0.820 18226 10140 1 30 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.053 -0.685 18226 10141 1 30 . 1 1 10 10 TYR CB C 10 38.749 38.749 36.788 1.961 18226 10142 1 30 . 1 1 10 10 TYR H H 10 7.951 7.951 8.473 -0.522 18226 10143 1 30 . 1 1 11 11 TYR N N 11 121.223 121.223 114.569 6.654 18226 10144 1 30 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.135 0.364 18226 10145 1 30 . 1 1 11 11 TYR C C 11 175.974 175.974 175.887 0.087 18226 10146 1 30 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.240 -0.167 18226 10147 1 30 . 1 1 11 11 TYR CB C 11 38.671 38.671 34.889 3.782 18226 10148 1 30 . 1 1 11 11 TYR H H 11 7.971 7.971 7.580 0.391 18226 10149 1 30 . 1 1 12 12 GLY N N 12 109.861 109.861 105.538 4.323 18226 10150 1 30 . 1 1 12 12 GLY C C 12 173.775 173.775 174.219 -0.444 18226 10151 1 30 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.879 -0.499 18226 10152 1 30 . 1 1 12 12 GLY H H 12 7.769 7.769 8.386 -0.617 18226 10153 1 30 . 1 1 13 13 ALA N N 13 123.378 123.378 120.480 2.898 18226 10154 1 30 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.426 -0.124 18226 10155 1 30 . 1 1 13 13 ALA C C 13 177.509 177.509 174.961 2.548 18226 10156 1 30 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.123 0.504 18226 10157 1 30 . 1 1 13 13 ALA CB C 13 19.444 19.444 20.381 -0.937 18226 10158 1 30 . 1 1 13 13 ALA H H 13 7.975 7.975 8.073 -0.098 18226 10159 1 30 . 1 1 14 14 ASP N N 14 118.494 118.494 121.153 -2.659 18226 10160 1 30 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.654 -0.020 18226 10161 1 30 . 1 1 14 14 ASP C C 14 175.747 175.747 174.994 0.753 18226 10162 1 30 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.457 -0.455 18226 10163 1 30 . 1 1 14 14 ASP CB C 14 40.162 40.162 41.603 -1.441 18226 10164 1 30 . 1 1 14 14 ASP H H 14 8.307 8.307 8.705 -0.398 18226 10165 1 30 . 1 1 15 15 ASN N N 15 118.834 118.834 113.206 5.628 18226 10166 1 30 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.930 -0.268 18226 10167 1 30 . 1 1 15 15 ASN C C 15 175.258 175.258 175.516 -0.258 18226 10168 1 30 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.530 -0.015 18226 10169 1 30 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.893 -0.136 18226 10170 1 30 . 1 1 15 15 ASN H H 15 8.221 8.221 8.432 -0.211 18226 10171 1 30 . 1 1 16 16 GLN N N 16 120.413 120.413 117.181 3.232 18226 10172 1 30 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.270 0.085 18226 10173 1 30 . 1 1 16 16 GLN C C 16 176.096 176.096 175.048 1.048 18226 10174 1 30 . 1 1 16 16 GLN CA C 16 56.240 56.240 56.309 -0.069 18226 10175 1 30 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.262 1.108 18226 10176 1 30 . 1 1 16 16 GLN H H 16 8.295 8.295 7.960 0.335 18226 10177 1 30 . 1 1 17 17 SER N N 17 116.692 116.692 115.097 1.595 18226 10178 1 30 . 1 1 17 17 SER HA H 17 4.428 4.428 4.369 0.059 18226 10179 1 30 . 1 1 17 17 SER C C 17 174.523 174.523 173.537 0.986 18226 10180 1 30 . 1 1 17 17 SER CA C 17 58.683 58.683 58.749 -0.066 18226 10181 1 30 . 1 1 17 17 SER CB C 17 63.794 63.794 64.063 -0.269 18226 10182 1 30 . 1 1 17 17 SER H H 17 8.267 8.267 7.862 0.405 18226 10183 1 30 . 1 1 18 18 GLU N N 18 122.142 122.142 119.700 2.442 18226 10184 1 30 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.056 0.307 18226 10185 1 30 . 1 1 18 18 GLU C C 18 175.937 175.937 175.657 0.280 18226 10186 1 30 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.057 -0.752 18226 10187 1 30 . 1 1 18 18 GLU CB C 18 29.506 29.506 29.113 0.393 18226 10188 1 30 . 1 1 18 18 GLU H H 18 8.330 8.330 8.345 -0.015 18226 10189 1 30 . 1 1 19 19 CYS N N 19 120.077 120.077 123.756 -3.679 18226 10190 1 30 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.137 0.295 18226 10191 1 30 . 1 1 19 19 CYS C C 19 174.442 174.442 174.942 -0.500 18226 10192 1 30 . 1 1 19 19 CYS CA C 19 58.613 58.613 58.261 0.352 18226 10193 1 30 . 1 1 19 19 CYS CB C 19 27.999 27.999 28.160 -0.161 18226 10194 1 30 . 1 1 19 19 CYS H H 19 8.276 8.276 8.589 -0.313 18226 10195 1 30 . 1 1 20 20 GLU N N 20 123.369 123.369 118.929 4.440 18226 10196 1 30 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.016 0.287 18226 10197 1 30 . 1 1 20 20 GLU C C 20 175.858 175.858 175.377 0.481 18226 10198 1 30 . 1 1 20 20 GLU CA C 20 56.457 56.457 57.832 -1.375 18226 10199 1 30 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.215 -0.065 18226 10200 1 30 . 1 1 20 20 GLU H H 20 8.400 8.400 8.583 -0.183 18226 10201 1 30 . 1 1 21 21 TYR N N 21 119.980 119.980 116.195 3.785 18226 10202 1 30 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.095 0.449 18226 10203 1 30 . 1 1 21 21 TYR C C 21 175.669 175.669 174.099 1.570 18226 10204 1 30 . 1 1 21 21 TYR CA C 21 58.103 58.103 58.749 -0.646 18226 10205 1 30 . 1 1 21 21 TYR CB C 21 38.677 38.677 36.890 1.787 18226 10206 1 30 . 1 1 21 21 TYR H H 21 7.991 7.991 7.982 0.009 18226 10207 1 30 . 1 1 22 22 THR N N 22 113.984 113.984 107.605 6.379 18226 10208 1 30 . 1 1 22 22 THR HA H 22 4.164 4.164 4.072 0.092 18226 10209 1 30 . 1 1 22 22 THR C C 22 174.259 174.259 173.127 1.132 18226 10210 1 30 . 1 1 22 22 THR CA C 22 62.381 62.381 63.648 -1.267 18226 10211 1 30 . 1 1 22 22 THR CB C 22 69.551 69.551 67.923 1.628 18226 10212 1 30 . 1 1 22 22 THR H H 22 7.821 7.821 8.364 -0.543 18226 10213 1 30 . 1 1 23 23 ASP N N 23 121.930 121.930 119.198 2.732 18226 10214 1 30 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.995 -0.324 18226 10215 1 30 . 1 1 23 23 ASP C C 23 176.164 176.164 176.958 -0.794 18226 10216 1 30 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.217 -0.536 18226 10217 1 30 . 1 1 23 23 ASP CB C 23 39.606 39.606 42.748 -3.142 18226 10218 1 30 . 1 1 23 23 ASP H H 23 8.106 8.106 8.087 0.019 18226 10219 1 30 . 1 1 24 24 TRP N N 24 121.947 121.947 120.620 1.327 18226 10220 1 30 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.833 -0.351 18226 10221 1 30 . 1 1 24 24 TRP C C 24 176.496 176.496 174.850 1.646 18226 10222 1 30 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.380 0.858 18226 10223 1 30 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.333 -0.144 18226 10224 1 30 . 1 1 24 24 TRP H H 24 7.991 7.991 7.596 0.395 18226 10225 1 30 . 1 1 25 25 LYS N N 25 119.673 119.673 114.768 4.905 18226 10226 1 30 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.246 -0.257 18226 10227 1 30 . 1 1 25 25 LYS C C 25 176.770 176.770 175.426 1.344 18226 10228 1 30 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.260 2.207 18226 10229 1 30 . 1 1 25 25 LYS CB C 25 31.953 31.953 32.017 -0.064 18226 10230 1 30 . 1 1 25 25 LYS H H 25 7.588 7.588 7.369 0.219 18226 10231 1 30 . 1 1 26 26 SER N N 26 114.157 114.157 113.763 0.394 18226 10232 1 30 . 1 1 26 26 SER HA H 26 4.462 4.462 4.513 -0.051 18226 10233 1 30 . 1 1 26 26 SER C C 26 175.126 175.126 174.633 0.493 18226 10234 1 30 . 1 1 26 26 SER CA C 26 58.673 58.673 58.483 0.190 18226 10235 1 30 . 1 1 26 26 SER CB C 26 63.801 63.801 64.032 -0.231 18226 10236 1 30 . 1 1 26 26 SER H H 26 7.823 7.823 7.412 0.411 18226 10237 1 30 . 1 1 27 27 SER N N 27 117.353 117.353 118.520 -1.167 18226 10238 1 30 . 1 1 27 27 SER HA H 27 4.288 4.288 4.208 0.080 18226 10239 1 30 . 1 1 27 27 SER C C 27 175.598 175.598 175.497 0.101 18226 10240 1 30 . 1 1 27 27 SER CA C 27 60.216 60.216 60.273 -0.057 18226 10241 1 30 . 1 1 27 27 SER CB C 27 63.684 63.684 61.704 1.980 18226 10242 1 30 . 1 1 27 27 SER H H 27 8.178 8.178 8.484 -0.306 18226 10243 1 30 . 1 1 28 28 GLY N N 28 110.249 110.249 109.213 1.036 18226 10244 1 30 . 1 1 28 28 GLY C C 28 174.667 174.667 173.581 1.086 18226 10245 1 30 . 1 1 28 28 GLY CA C 28 46.276 46.276 44.752 1.524 18226 10246 1 30 . 1 1 28 28 GLY H H 28 8.359 8.359 8.389 -0.030 18226 10247 1 30 . 1 1 29 29 ALA N N 29 121.959 121.959 121.936 0.023 18226 10248 1 30 . 1 1 29 29 ALA HA H 29 4.328 4.328 3.919 0.409 18226 10249 1 30 . 1 1 29 29 ALA C C 29 177.873 177.873 176.327 1.546 18226 10250 1 30 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.984 0.277 18226 10251 1 30 . 1 1 29 29 ALA CB C 29 19.637 19.637 17.483 2.154 18226 10252 1 30 . 1 1 29 29 ALA H H 29 7.931 7.931 8.004 -0.073 18226 10253 1 30 . 1 1 30 30 LEU N N 30 117.460 117.460 113.943 3.517 18226 10254 1 30 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.542 -0.334 18226 10255 1 30 . 1 1 30 30 LEU CA C 30 57.392 57.392 56.114 1.278 18226 10256 1 30 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.599 0.006 18226 10257 1 30 . 1 1 30 30 LEU H H 30 7.924 7.924 7.954 -0.030 18226 10258 1 30 . 1 1 31 31 ILE N N 31 117.379 117.379 121.366 -3.987 18226 10259 1 30 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.279 -0.356 18226 10260 1 30 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.723 2.288 18226 10261 1 30 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.370 -1.147 18226 10262 1 30 . 1 1 31 31 ILE H H 31 8.100 8.100 8.381 -0.281 18226 10263 1 30 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.474 -0.156 18226 10264 1 30 . 1 1 32 32 PRO C C 32 178.706 178.706 175.712 2.994 18226 10265 1 30 . 1 1 32 32 PRO CA C 32 66.031 66.031 62.958 3.073 18226 10266 1 30 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.259 1.008 18226 10267 1 30 . 1 1 33 33 ALA N N 33 119.040 119.040 121.136 -2.096 18226 10268 1 30 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.474 -0.279 18226 10269 1 30 . 1 1 33 33 ALA C C 33 179.052 179.052 177.139 1.913 18226 10270 1 30 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.550 2.843 18226 10271 1 30 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.374 -1.843 18226 10272 1 30 . 1 1 33 33 ALA H H 33 7.462 7.462 8.001 -0.539 18226 10273 1 30 . 1 1 34 34 ILE N N 34 118.037 118.037 113.241 4.796 18226 10274 1 30 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.275 -0.553 18226 10275 1 30 . 1 1 34 34 ILE C C 34 177.827 177.827 176.649 1.178 18226 10276 1 30 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.156 2.867 18226 10277 1 30 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.578 -2.237 18226 10278 1 30 . 1 1 34 34 ILE H H 34 8.176 8.176 7.416 0.760 18226 10279 1 30 . 1 1 35 35 TYR N N 35 118.783 118.783 119.985 -1.202 18226 10280 1 30 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.560 -0.415 18226 10281 1 30 . 1 1 35 35 TYR C C 35 178.062 178.062 175.898 2.164 18226 10282 1 30 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.047 1.501 18226 10283 1 30 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.737 0.005 18226 10284 1 30 . 1 1 35 35 TYR H H 35 8.306 8.306 7.892 0.414 18226 10285 1 30 . 1 1 36 36 MET N N 36 118.068 118.068 116.735 1.333 18226 10286 1 30 . 1 1 36 36 MET HA H 36 4.317 4.317 4.692 -0.375 18226 10287 1 30 . 1 1 36 36 MET C C 36 178.183 178.183 176.586 1.597 18226 10288 1 30 . 1 1 36 36 MET CA C 36 58.533 58.533 56.292 2.241 18226 10289 1 30 . 1 1 36 36 MET CB C 36 32.288 32.288 32.820 -0.532 18226 10290 1 30 . 1 1 36 36 MET H H 36 8.090 8.090 7.744 0.346 18226 10291 1 30 . 1 1 37 37 LEU N N 37 120.316 120.316 119.921 0.395 18226 10292 1 30 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.120 -0.005 18226 10293 1 30 . 1 1 37 37 LEU C C 37 178.353 178.353 177.387 0.966 18226 10294 1 30 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.261 2.069 18226 10295 1 30 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.272 0.642 18226 10296 1 30 . 1 1 37 37 LEU H H 37 8.106 8.106 8.262 -0.156 18226 10297 1 30 . 1 1 38 38 VAL N N 38 118.385 118.385 113.871 4.514 18226 10298 1 30 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.006 -0.477 18226 10299 1 30 . 1 1 38 38 VAL C C 38 178.216 178.216 177.216 1.000 18226 10300 1 30 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.112 3.929 18226 10301 1 30 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.689 -1.064 18226 10302 1 30 . 1 1 38 38 VAL H H 38 8.305 8.305 7.179 1.126 18226 10303 1 30 . 1 1 39 39 PHE N N 39 120.216 120.216 121.720 -1.504 18226 10304 1 30 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.229 0.032 18226 10305 1 30 . 1 1 39 39 PHE C C 39 178.597 178.597 176.836 1.761 18226 10306 1 30 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.867 -1.547 18226 10307 1 30 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.621 -0.732 18226 10308 1 30 . 1 1 39 39 PHE H H 39 8.196 8.196 8.091 0.105 18226 10309 1 30 . 1 1 40 40 LEU N N 40 120.772 120.772 118.696 2.076 18226 10310 1 30 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.416 -0.366 18226 10311 1 30 . 1 1 40 40 LEU C C 40 179.666 179.666 175.717 3.949 18226 10312 1 30 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.656 3.250 18226 10313 1 30 . 1 1 40 40 LEU CB C 40 42.340 42.340 40.852 1.488 18226 10314 1 30 . 1 1 40 40 LEU H H 40 8.452 8.452 8.272 0.180 18226 10315 1 30 . 1 1 41 41 LEU N N 41 119.185 119.185 121.122 -1.937 18226 10316 1 30 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.598 -0.499 18226 10317 1 30 . 1 1 41 41 LEU C C 41 178.878 178.878 176.431 2.447 18226 10318 1 30 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.841 1.545 18226 10319 1 30 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.523 -1.668 18226 10320 1 30 . 1 1 41 41 LEU H H 41 8.435 8.435 7.577 0.858 18226 10321 1 30 . 1 1 42 42 GLY N N 42 105.718 105.718 107.217 -1.499 18226 10322 1 30 . 1 1 42 42 GLY C C 42 174.908 174.908 174.630 0.278 18226 10323 1 30 . 1 1 42 42 GLY CA C 42 46.642 46.642 47.196 -0.554 18226 10324 1 30 . 1 1 42 42 GLY H H 42 8.208 8.208 8.057 0.151 18226 10325 1 30 . 1 1 43 43 THR N N 43 111.959 111.959 113.446 -1.487 18226 10326 1 30 . 1 1 43 43 THR HA H 43 4.348 4.348 4.343 0.005 18226 10327 1 30 . 1 1 43 43 THR C C 43 175.665 175.665 174.365 1.300 18226 10328 1 30 . 1 1 43 43 THR CA C 43 63.097 63.097 61.738 1.359 18226 10329 1 30 . 1 1 43 43 THR CB C 43 69.867 69.867 69.637 0.230 18226 10330 1 30 . 1 1 43 43 THR H H 43 7.789 7.789 7.513 0.276 18226 10331 1 30 . 1 1 44 44 THR N N 44 113.271 113.271 118.604 -5.333 18226 10332 1 30 . 1 1 44 44 THR HA H 44 4.308 4.308 4.030 0.278 18226 10333 1 30 . 1 1 44 44 THR C C 44 175.754 175.754 175.798 -0.044 18226 10334 1 30 . 1 1 44 44 THR CA C 44 63.194 63.194 63.856 -0.662 18226 10335 1 30 . 1 1 44 44 THR CB C 44 70.171 70.171 68.058 2.113 18226 10336 1 30 . 1 1 44 44 THR H H 44 7.833 7.833 8.711 -0.878 18226 10337 1 30 . 1 1 45 45 GLY N N 45 109.879 109.879 108.549 1.330 18226 10338 1 30 . 1 1 45 45 GLY C C 45 175.221 175.221 175.736 -0.515 18226 10339 1 30 . 1 1 45 45 GLY CA C 45 46.539 46.539 46.095 0.444 18226 10340 1 30 . 1 1 45 45 GLY H H 45 8.259 8.259 7.895 0.364 18226 10341 1 30 . 1 1 46 46 ASN N N 46 117.998 117.998 121.089 -3.091 18226 10342 1 30 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.528 0.084 18226 10343 1 30 . 1 1 46 46 ASN C C 46 176.215 176.215 176.713 -0.498 18226 10344 1 30 . 1 1 46 46 ASN CA C 46 54.840 54.840 55.426 -0.586 18226 10345 1 30 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.328 0.238 18226 10346 1 30 . 1 1 46 46 ASN H H 46 8.235 8.235 8.918 -0.683 18226 10347 1 30 . 1 1 47 47 GLY N N 47 106.990 106.990 106.379 0.611 18226 10348 1 30 . 1 1 47 47 GLY C C 47 174.659 174.659 174.467 0.192 18226 10349 1 30 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.824 1.155 18226 10350 1 30 . 1 1 47 47 GLY H H 47 8.425 8.425 7.949 0.476 18226 10351 1 30 . 1 1 48 48 LEU N N 48 120.699 120.699 115.326 5.373 18226 10352 1 30 . 1 1 48 48 LEU HA H 48 4.300 4.300 5.092 -0.792 18226 10353 1 30 . 1 1 48 48 LEU C C 48 179.482 179.482 175.810 3.672 18226 10354 1 30 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.459 1.986 18226 10355 1 30 . 1 1 48 48 LEU CB C 48 41.566 41.566 43.459 -1.893 18226 10356 1 30 . 1 1 48 48 LEU H H 48 7.956 7.956 7.952 0.004 18226 10357 1 30 . 1 1 49 49 VAL N N 49 120.101 120.101 118.586 1.515 18226 10358 1 30 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.299 -0.420 18226 10359 1 30 . 1 1 49 49 VAL C C 49 177.535 177.535 175.770 1.765 18226 10360 1 30 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.556 2.306 18226 10361 1 30 . 1 1 49 49 VAL CB C 49 31.779 31.779 33.745 -1.966 18226 10362 1 30 . 1 1 49 49 VAL H H 49 7.919 7.919 8.040 -0.121 18226 10363 1 30 . 1 1 50 50 LEU N N 50 119.268 119.268 120.560 -1.292 18226 10364 1 30 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.617 -0.574 18226 10365 1 30 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.387 0.458 18226 10366 1 30 . 1 1 50 50 LEU CB C 50 41.877 41.877 43.689 -1.812 18226 10367 1 30 . 1 1 50 50 LEU H H 50 7.731 7.731 7.802 -0.071 18226 10368 1 30 . 1 1 51 51 TRP N N 51 118.033 118.033 121.383 -3.350 18226 10369 1 30 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.566 0.026 18226 10370 1 30 . 1 1 51 51 TRP C C 51 177.302 177.302 175.977 1.325 18226 10371 1 30 . 1 1 51 51 TRP CA C 51 59.789 59.789 60.140 -0.351 18226 10372 1 30 . 1 1 51 51 TRP CB C 51 30.207 30.207 28.965 1.242 18226 10373 1 30 . 1 1 51 51 TRP H H 51 8.070 8.070 7.738 0.332 18226 10374 1 30 . 1 1 52 52 THR N N 52 113.014 113.014 112.975 0.039 18226 10375 1 30 . 1 1 52 52 THR HA H 52 3.746 3.746 3.884 -0.138 18226 10376 1 30 . 1 1 52 52 THR C C 52 176.361 176.361 176.214 0.147 18226 10377 1 30 . 1 1 52 52 THR CA C 52 66.443 66.443 62.795 3.648 18226 10378 1 30 . 1 1 52 52 THR CB C 52 69.017 69.017 68.961 0.056 18226 10379 1 30 . 1 1 52 52 THR H H 52 8.101 8.101 7.549 0.552 18226 10380 1 30 . 1 1 53 53 VAL N N 53 120.231 120.231 122.572 -2.341 18226 10381 1 30 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.814 -0.136 18226 10382 1 30 . 1 1 53 53 VAL C C 53 177.482 177.482 176.968 0.514 18226 10383 1 30 . 1 1 53 53 VAL CA C 53 66.158 66.158 65.743 0.415 18226 10384 1 30 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.847 -0.080 18226 10385 1 30 . 1 1 53 53 VAL H H 53 7.905 7.905 8.173 -0.268 18226 10386 1 30 . 1 1 54 54 PHE N N 54 118.609 118.609 114.844 3.765 18226 10387 1 30 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.740 -0.507 18226 10388 1 30 . 1 1 54 54 PHE CA C 54 60.666 60.666 57.037 3.629 18226 10389 1 30 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.648 0.610 18226 10390 1 30 . 1 1 54 54 PHE H H 54 8.025 8.025 7.745 0.280 18226 10391 1 30 . 1 1 55 55 ARG N N 55 117.305 117.305 119.843 -2.538 18226 10392 1 30 . 1 1 55 55 ARG HA H 55 3.808 3.808 3.842 -0.034 18226 10393 1 30 . 1 1 55 55 ARG CA C 55 57.710 57.710 56.597 1.113 18226 10394 1 30 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.841 -2.178 18226 10395 1 30 . 1 1 55 55 ARG H H 55 8.025 8.025 7.529 0.496 18226 10396 1 30 . 1 1 56 56 LYS N N 56 118.321 118.321 119.018 -0.697 18226 10397 1 30 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.080 0.090 18226 10398 1 30 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.602 -1.162 18226 10399 1 30 . 1 1 56 56 LYS CB C 56 32.929 32.929 32.054 0.875 18226 10400 1 30 . 1 1 56 56 LYS H H 56 7.717 7.717 8.293 -0.576 18226 10401 1 30 . 1 1 57 57 LYS N N 57 118.349 118.349 116.910 1.439 18226 10402 1 30 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.079 0.210 18226 10403 1 30 . 1 1 57 57 LYS C C 57 176.891 176.891 176.851 0.040 18226 10404 1 30 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.354 -0.981 18226 10405 1 30 . 1 1 57 57 LYS CB C 57 32.864 32.864 31.351 1.513 18226 10406 1 30 . 1 1 57 57 LYS H H 57 7.872 7.872 7.775 0.097 18226 10407 1 30 . 1 1 58 58 GLY N N 58 107.442 107.442 105.410 2.032 18226 10408 1 30 . 1 1 58 58 GLY C C 58 173.263 173.263 174.299 -1.036 18226 10409 1 30 . 1 1 58 58 GLY CA C 58 45.557 45.557 45.359 0.197 18226 10410 1 30 . 1 1 58 58 GLY H H 58 8.060 8.060 7.770 0.290 18226 10411 1 30 . 1 1 59 59 HIS N N 59 116.928 116.928 119.684 -2.756 18226 10412 1 30 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.055 0.613 18226 10413 1 30 . 1 1 59 59 HIS C C 59 173.935 173.935 174.729 -0.794 18226 10414 1 30 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.791 -3.706 18226 10415 1 30 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.290 -0.066 18226 10416 1 30 . 1 1 59 59 HIS H H 59 8.076 8.076 8.873 -0.797 18226 10417 1 30 . 1 1 60 60 HIS N N 60 119.187 119.187 116.758 2.429 18226 10418 1 30 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.855 -0.184 18226 10419 1 30 . 1 1 60 60 HIS C C 60 173.926 173.926 173.895 0.031 18226 10420 1 30 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.098 -0.669 18226 10421 1 30 . 1 1 60 60 HIS CB C 60 29.157 29.157 32.122 -2.965 18226 10422 1 30 . 1 1 60 60 HIS H H 60 8.547 8.547 8.570 -0.023 18226 10423 1 30 . 1 1 61 61 HIS N N 61 120.017 120.017 119.201 0.816 18226 10424 1 30 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.311 0.356 18226 10425 1 30 . 1 1 61 61 HIS C C 61 173.994 173.994 174.055 -0.061 18226 10426 1 30 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.087 -0.654 18226 10427 1 30 . 1 1 61 61 HIS CB C 61 29.201 29.201 31.173 -1.972 18226 10428 1 30 . 1 1 61 61 HIS H H 61 8.662 8.662 7.749 0.913 18226 10429 1 30 . 1 1 62 62 HIS N N 62 120.463 120.463 125.611 -5.148 18226 10430 1 30 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.172 0.485 18226 10431 1 30 . 1 1 62 62 HIS C C 62 173.939 173.939 174.307 -0.368 18226 10432 1 30 . 1 1 62 62 HIS CA C 62 55.376 55.376 58.822 -3.446 18226 10433 1 30 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.103 -0.812 18226 10434 1 30 . 1 1 62 62 HIS H H 62 8.729 8.729 8.647 0.082 18226 10435 1 30 . 1 1 63 63 HIS N N 63 120.370 120.370 115.227 5.143 18226 10436 1 30 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.704 -0.046 18226 10437 1 30 . 1 1 63 63 HIS C C 63 173.564 173.564 174.222 -0.658 18226 10438 1 30 . 1 1 63 63 HIS CA C 63 55.608 55.608 54.584 1.024 18226 10439 1 30 . 1 1 63 63 HIS CB C 63 29.365 29.365 32.334 -2.970 18226 10440 1 30 . 1 1 63 63 HIS H H 63 8.619 8.619 7.695 0.924 18226 10441 1 31 . 1 1 2 2 GLU N N 2 123.545 123.545 123.415 0.130 18226 10442 1 31 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.175 0.211 18226 10443 1 31 . 1 1 2 2 GLU C C 2 175.742 175.742 176.908 -1.166 18226 10444 1 31 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.445 -0.082 18226 10445 1 31 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.115 -0.360 18226 10446 1 31 . 1 1 2 2 GLU H H 2 8.765 8.765 8.524 0.241 18226 10447 1 31 . 1 1 3 3 GLU N N 3 122.227 122.227 121.426 0.801 18226 10448 1 31 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.152 0.181 18226 10449 1 31 . 1 1 3 3 GLU C C 3 176.636 176.636 176.845 -0.209 18226 10450 1 31 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.871 -0.383 18226 10451 1 31 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.866 -0.109 18226 10452 1 31 . 1 1 3 3 GLU H H 3 8.550 8.550 8.597 -0.047 18226 10453 1 31 . 1 1 4 4 GLY N N 4 110.108 110.108 108.253 1.855 18226 10454 1 31 . 1 1 4 4 GLY C C 4 174.548 174.548 173.911 0.637 18226 10455 1 31 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.603 0.872 18226 10456 1 31 . 1 1 4 4 GLY H H 4 8.453 8.453 8.091 0.362 18226 10457 1 31 . 1 1 5 5 GLY N N 5 108.466 108.466 108.191 0.275 18226 10458 1 31 . 1 1 5 5 GLY C C 5 173.790 173.790 174.662 -0.872 18226 10459 1 31 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.920 0.444 18226 10460 1 31 . 1 1 5 5 GLY H H 5 8.168 8.168 7.837 0.331 18226 10461 1 31 . 1 1 6 6 ASP N N 6 119.764 119.764 121.950 -2.186 18226 10462 1 31 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.401 0.182 18226 10463 1 31 . 1 1 6 6 ASP C C 6 175.811 175.811 175.305 0.506 18226 10464 1 31 . 1 1 6 6 ASP CA C 6 53.992 53.992 55.434 -1.442 18226 10465 1 31 . 1 1 6 6 ASP CB C 6 40.257 40.257 40.270 -0.013 18226 10466 1 31 . 1 1 6 6 ASP H H 6 8.187 8.187 8.943 -0.756 18226 10467 1 31 . 1 1 7 7 PHE N N 7 119.941 119.941 117.484 2.457 18226 10468 1 31 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.734 -0.168 18226 10469 1 31 . 1 1 7 7 PHE C C 7 175.636 175.636 173.098 2.538 18226 10470 1 31 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.459 -0.388 18226 10471 1 31 . 1 1 7 7 PHE CB C 7 39.319 39.319 39.887 -0.568 18226 10472 1 31 . 1 1 7 7 PHE H H 7 8.103 8.103 7.589 0.514 18226 10473 1 31 . 1 1 8 8 ASP N N 8 120.418 120.418 121.808 -1.390 18226 10474 1 31 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.657 -0.120 18226 10475 1 31 . 1 1 8 8 ASP C C 8 175.548 175.548 175.506 0.042 18226 10476 1 31 . 1 1 8 8 ASP CA C 8 54.373 54.373 53.486 0.887 18226 10477 1 31 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.825 -0.439 18226 10478 1 31 . 1 1 8 8 ASP H H 8 8.177 8.177 8.077 0.100 18226 10479 1 31 . 1 1 9 9 ASN N N 9 118.260 118.260 116.228 2.032 18226 10480 1 31 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.188 0.399 18226 10481 1 31 . 1 1 9 9 ASN C C 9 174.782 174.782 174.459 0.323 18226 10482 1 31 . 1 1 9 9 ASN CA C 9 53.397 53.397 55.168 -1.771 18226 10483 1 31 . 1 1 9 9 ASN CB C 9 38.762 38.762 36.776 1.986 18226 10484 1 31 . 1 1 9 9 ASN H H 9 8.057 8.057 8.332 -0.275 18226 10485 1 31 . 1 1 10 10 TYR N N 10 120.145 120.145 115.772 4.373 18226 10486 1 31 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.065 0.374 18226 10487 1 31 . 1 1 10 10 TYR C C 10 175.520 175.520 175.033 0.487 18226 10488 1 31 . 1 1 10 10 TYR CA C 10 58.369 58.369 57.892 0.477 18226 10489 1 31 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.935 0.814 18226 10490 1 31 . 1 1 10 10 TYR H H 10 7.951 7.951 7.612 0.339 18226 10491 1 31 . 1 1 11 11 TYR N N 11 121.223 121.223 114.365 6.858 18226 10492 1 31 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.331 0.168 18226 10493 1 31 . 1 1 11 11 TYR C C 11 175.974 175.974 175.282 0.692 18226 10494 1 31 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.867 0.206 18226 10495 1 31 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.460 3.211 18226 10496 1 31 . 1 1 11 11 TYR H H 11 7.971 7.971 7.897 0.074 18226 10497 1 31 . 1 1 12 12 GLY N N 12 109.861 109.861 106.304 3.557 18226 10498 1 31 . 1 1 12 12 GLY C C 12 173.775 173.775 173.208 0.567 18226 10499 1 31 . 1 1 12 12 GLY CA C 12 45.380 45.380 44.806 0.574 18226 10500 1 31 . 1 1 12 12 GLY H H 12 7.769 7.769 7.874 -0.105 18226 10501 1 31 . 1 1 13 13 ALA N N 13 123.378 123.378 123.544 -0.166 18226 10502 1 31 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.318 -0.016 18226 10503 1 31 . 1 1 13 13 ALA C C 13 177.509 177.509 175.595 1.914 18226 10504 1 31 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.187 0.440 18226 10505 1 31 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.859 -0.415 18226 10506 1 31 . 1 1 13 13 ALA H H 13 7.975 7.975 7.619 0.356 18226 10507 1 31 . 1 1 14 14 ASP N N 14 118.494 118.494 118.024 0.470 18226 10508 1 31 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.285 0.349 18226 10509 1 31 . 1 1 14 14 ASP C C 14 175.747 175.747 174.971 0.776 18226 10510 1 31 . 1 1 14 14 ASP CA C 14 54.002 54.002 55.075 -1.073 18226 10511 1 31 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.227 -0.065 18226 10512 1 31 . 1 1 14 14 ASP H H 14 8.307 8.307 8.509 -0.202 18226 10513 1 31 . 1 1 15 15 ASN N N 15 118.834 118.834 114.946 3.888 18226 10514 1 31 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.379 0.283 18226 10515 1 31 . 1 1 15 15 ASN C C 15 175.258 175.258 174.795 0.463 18226 10516 1 31 . 1 1 15 15 ASN CA C 15 53.515 53.515 54.010 -0.495 18226 10517 1 31 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.358 0.399 18226 10518 1 31 . 1 1 15 15 ASN H H 15 8.221 8.221 8.222 -0.001 18226 10519 1 31 . 1 1 16 16 GLN N N 16 120.413 120.413 122.758 -2.345 18226 10520 1 31 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.225 0.130 18226 10521 1 31 . 1 1 16 16 GLN C C 16 176.096 176.096 176.062 0.034 18226 10522 1 31 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.282 -1.042 18226 10523 1 31 . 1 1 16 16 GLN CB C 16 29.370 29.370 29.154 0.216 18226 10524 1 31 . 1 1 16 16 GLN H H 16 8.295 8.295 8.687 -0.392 18226 10525 1 31 . 1 1 17 17 SER N N 17 116.692 116.692 112.071 4.621 18226 10526 1 31 . 1 1 17 17 SER HA H 17 4.428 4.428 4.381 0.047 18226 10527 1 31 . 1 1 17 17 SER C C 17 174.523 174.523 174.291 0.232 18226 10528 1 31 . 1 1 17 17 SER CA C 17 58.683 58.683 57.702 0.981 18226 10529 1 31 . 1 1 17 17 SER CB C 17 63.794 63.794 63.572 0.222 18226 10530 1 31 . 1 1 17 17 SER H H 17 8.267 8.267 8.084 0.183 18226 10531 1 31 . 1 1 18 18 GLU N N 18 122.142 122.142 121.062 1.080 18226 10532 1 31 . 1 1 18 18 GLU HA H 18 4.363 4.363 3.786 0.577 18226 10533 1 31 . 1 1 18 18 GLU C C 18 175.937 175.937 176.074 -0.137 18226 10534 1 31 . 1 1 18 18 GLU CA C 18 56.305 56.305 58.008 -1.703 18226 10535 1 31 . 1 1 18 18 GLU CB C 18 29.506 29.506 28.992 0.514 18226 10536 1 31 . 1 1 18 18 GLU H H 18 8.330 8.330 7.784 0.546 18226 10537 1 31 . 1 1 19 19 CYS N N 19 120.077 120.077 115.519 4.558 18226 10538 1 31 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.180 0.252 18226 10539 1 31 . 1 1 19 19 CYS C C 19 174.442 174.442 174.164 0.278 18226 10540 1 31 . 1 1 19 19 CYS CA C 19 58.613 58.613 59.841 -1.228 18226 10541 1 31 . 1 1 19 19 CYS CB C 19 27.999 27.999 27.342 0.657 18226 10542 1 31 . 1 1 19 19 CYS H H 19 8.276 8.276 8.933 -0.657 18226 10543 1 31 . 1 1 20 20 GLU N N 20 123.369 123.369 116.482 6.887 18226 10544 1 31 . 1 1 20 20 GLU HA H 20 4.303 4.303 3.596 0.707 18226 10545 1 31 . 1 1 20 20 GLU C C 20 175.858 175.858 177.059 -1.201 18226 10546 1 31 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.193 0.264 18226 10547 1 31 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.394 -0.244 18226 10548 1 31 . 1 1 20 20 GLU H H 20 8.400 8.400 8.113 0.287 18226 10549 1 31 . 1 1 21 21 TYR N N 21 119.980 119.980 119.862 0.118 18226 10550 1 31 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.285 0.259 18226 10551 1 31 . 1 1 21 21 TYR C C 21 175.669 175.669 176.600 -0.931 18226 10552 1 31 . 1 1 21 21 TYR CA C 21 58.103 58.103 61.335 -3.232 18226 10553 1 31 . 1 1 21 21 TYR CB C 21 38.677 38.677 38.988 -0.311 18226 10554 1 31 . 1 1 21 21 TYR H H 21 7.991 7.991 8.081 -0.090 18226 10555 1 31 . 1 1 22 22 THR N N 22 113.984 113.984 109.317 4.667 18226 10556 1 31 . 1 1 22 22 THR HA H 22 4.164 4.164 4.625 -0.461 18226 10557 1 31 . 1 1 22 22 THR C C 22 174.259 174.259 172.978 1.281 18226 10558 1 31 . 1 1 22 22 THR CA C 22 62.381 62.381 62.703 -0.321 18226 10559 1 31 . 1 1 22 22 THR CB C 22 69.551 69.551 69.052 0.500 18226 10560 1 31 . 1 1 22 22 THR H H 22 7.821 7.821 8.435 -0.614 18226 10561 1 31 . 1 1 23 23 ASP N N 23 121.930 121.930 120.735 1.195 18226 10562 1 31 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.967 -0.296 18226 10563 1 31 . 1 1 23 23 ASP C C 23 176.164 176.164 175.410 0.754 18226 10564 1 31 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.104 -0.423 18226 10565 1 31 . 1 1 23 23 ASP CB C 23 39.606 39.606 42.522 -2.916 18226 10566 1 31 . 1 1 23 23 ASP H H 23 8.106 8.106 8.709 -0.603 18226 10567 1 31 . 1 1 24 24 TRP N N 24 121.947 121.947 117.879 4.068 18226 10568 1 31 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.847 -0.365 18226 10569 1 31 . 1 1 24 24 TRP C C 24 176.496 176.496 174.969 1.527 18226 10570 1 31 . 1 1 24 24 TRP CA C 24 58.238 58.238 56.471 1.767 18226 10571 1 31 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.340 -0.151 18226 10572 1 31 . 1 1 24 24 TRP H H 24 7.991 7.991 8.243 -0.252 18226 10573 1 31 . 1 1 25 25 LYS N N 25 119.673 119.673 115.436 4.237 18226 10574 1 31 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.210 -0.221 18226 10575 1 31 . 1 1 25 25 LYS C C 25 176.770 176.770 175.292 1.478 18226 10576 1 31 . 1 1 25 25 LYS CA C 25 57.467 57.467 56.065 1.402 18226 10577 1 31 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.527 0.426 18226 10578 1 31 . 1 1 25 25 LYS H H 25 7.588 7.588 7.331 0.257 18226 10579 1 31 . 1 1 26 26 SER N N 26 114.157 114.157 114.990 -0.833 18226 10580 1 31 . 1 1 26 26 SER HA H 26 4.462 4.462 4.448 0.014 18226 10581 1 31 . 1 1 26 26 SER C C 26 175.126 175.126 174.342 0.784 18226 10582 1 31 . 1 1 26 26 SER CA C 26 58.673 58.673 58.105 0.569 18226 10583 1 31 . 1 1 26 26 SER CB C 26 63.801 63.801 63.835 -0.034 18226 10584 1 31 . 1 1 26 26 SER H H 26 7.823 7.823 7.639 0.184 18226 10585 1 31 . 1 1 27 27 SER N N 27 117.353 117.353 116.701 0.652 18226 10586 1 31 . 1 1 27 27 SER HA H 27 4.288 4.288 4.466 -0.178 18226 10587 1 31 . 1 1 27 27 SER C C 27 175.598 175.598 174.822 0.776 18226 10588 1 31 . 1 1 27 27 SER CA C 27 60.216 60.216 58.197 2.019 18226 10589 1 31 . 1 1 27 27 SER CB C 27 63.684 63.684 61.959 1.726 18226 10590 1 31 . 1 1 27 27 SER H H 27 8.178 8.178 8.469 -0.291 18226 10591 1 31 . 1 1 28 28 GLY N N 28 110.249 110.249 108.482 1.767 18226 10592 1 31 . 1 1 28 28 GLY C C 28 174.667 174.667 173.051 1.616 18226 10593 1 31 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.883 0.393 18226 10594 1 31 . 1 1 28 28 GLY H H 28 8.359 8.359 7.630 0.729 18226 10595 1 31 . 1 1 29 29 ALA N N 29 121.959 121.959 122.423 -0.464 18226 10596 1 31 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.540 -0.212 18226 10597 1 31 . 1 1 29 29 ALA C C 29 177.873 177.873 176.729 1.144 18226 10598 1 31 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.228 0.033 18226 10599 1 31 . 1 1 29 29 ALA CB C 29 19.637 19.637 20.379 -0.742 18226 10600 1 31 . 1 1 29 29 ALA H H 29 7.931 7.931 7.901 0.030 18226 10601 1 31 . 1 1 30 30 LEU N N 30 117.460 117.460 113.878 3.582 18226 10602 1 31 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.525 -0.317 18226 10603 1 31 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.545 1.847 18226 10604 1 31 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.525 0.080 18226 10605 1 31 . 1 1 30 30 LEU H H 30 7.924 7.924 7.744 0.180 18226 10606 1 31 . 1 1 31 31 ILE N N 31 117.379 117.379 122.910 -5.531 18226 10607 1 31 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.043 -0.120 18226 10608 1 31 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.539 2.472 18226 10609 1 31 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.134 -0.911 18226 10610 1 31 . 1 1 31 31 ILE H H 31 8.100 8.100 8.283 -0.183 18226 10611 1 31 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.594 -0.276 18226 10612 1 31 . 1 1 32 32 PRO C C 32 178.706 178.706 175.758 2.948 18226 10613 1 31 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.215 2.817 18226 10614 1 31 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.255 1.012 18226 10615 1 31 . 1 1 33 33 ALA N N 33 119.040 119.040 121.298 -2.258 18226 10616 1 31 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.508 -0.313 18226 10617 1 31 . 1 1 33 33 ALA C C 33 179.052 179.052 177.102 1.950 18226 10618 1 31 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.448 2.945 18226 10619 1 31 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.302 -1.771 18226 10620 1 31 . 1 1 33 33 ALA H H 33 7.462 7.462 7.940 -0.478 18226 10621 1 31 . 1 1 34 34 ILE N N 34 118.037 118.037 113.041 4.996 18226 10622 1 31 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.412 -0.690 18226 10623 1 31 . 1 1 34 34 ILE C C 34 177.827 177.827 176.793 1.034 18226 10624 1 31 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.327 2.696 18226 10625 1 31 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.750 -2.409 18226 10626 1 31 . 1 1 34 34 ILE H H 34 8.176 8.176 7.492 0.684 18226 10627 1 31 . 1 1 35 35 TYR N N 35 118.783 118.783 121.298 -2.515 18226 10628 1 31 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.703 -0.558 18226 10629 1 31 . 1 1 35 35 TYR C C 35 178.062 178.062 176.240 1.822 18226 10630 1 31 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.301 1.247 18226 10631 1 31 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.918 -0.176 18226 10632 1 31 . 1 1 35 35 TYR H H 35 8.306 8.306 8.032 0.274 18226 10633 1 31 . 1 1 36 36 MET N N 36 118.068 118.068 116.421 1.647 18226 10634 1 31 . 1 1 36 36 MET HA H 36 4.317 4.317 4.632 -0.315 18226 10635 1 31 . 1 1 36 36 MET C C 36 178.183 178.183 177.496 0.687 18226 10636 1 31 . 1 1 36 36 MET CA C 36 58.533 58.533 56.394 2.139 18226 10637 1 31 . 1 1 36 36 MET CB C 36 32.288 32.288 32.749 -0.462 18226 10638 1 31 . 1 1 36 36 MET H H 36 8.090 8.090 8.098 -0.008 18226 10639 1 31 . 1 1 37 37 LEU N N 37 120.316 120.316 119.531 0.785 18226 10640 1 31 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.159 -0.044 18226 10641 1 31 . 1 1 37 37 LEU C C 37 178.353 178.353 176.746 1.607 18226 10642 1 31 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.612 1.718 18226 10643 1 31 . 1 1 37 37 LEU CB C 37 41.914 41.914 40.892 1.022 18226 10644 1 31 . 1 1 37 37 LEU H H 37 8.106 8.106 8.383 -0.277 18226 10645 1 31 . 1 1 38 38 VAL N N 38 118.385 118.385 115.331 3.054 18226 10646 1 31 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.080 -0.551 18226 10647 1 31 . 1 1 38 38 VAL C C 38 178.216 178.216 177.121 1.095 18226 10648 1 31 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.802 3.240 18226 10649 1 31 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.776 -1.151 18226 10650 1 31 . 1 1 38 38 VAL H H 38 8.305 8.305 7.168 1.137 18226 10651 1 31 . 1 1 39 39 PHE N N 39 120.216 120.216 122.383 -2.167 18226 10652 1 31 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.039 0.222 18226 10653 1 31 . 1 1 39 39 PHE C C 39 178.597 178.597 175.913 2.684 18226 10654 1 31 . 1 1 39 39 PHE CA C 39 61.320 61.320 63.185 -1.865 18226 10655 1 31 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.560 -0.672 18226 10656 1 31 . 1 1 39 39 PHE H H 39 8.196 8.196 7.575 0.621 18226 10657 1 31 . 1 1 40 40 LEU N N 40 120.772 120.772 116.854 3.918 18226 10658 1 31 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.431 -0.381 18226 10659 1 31 . 1 1 40 40 LEU C C 40 179.666 179.666 175.968 3.698 18226 10660 1 31 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.466 3.440 18226 10661 1 31 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.208 1.132 18226 10662 1 31 . 1 1 40 40 LEU H H 40 8.452 8.452 7.655 0.797 18226 10663 1 31 . 1 1 41 41 LEU N N 41 119.185 119.185 119.964 -0.779 18226 10664 1 31 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.603 -0.504 18226 10665 1 31 . 1 1 41 41 LEU C C 41 178.878 178.878 176.809 2.069 18226 10666 1 31 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.435 0.951 18226 10667 1 31 . 1 1 41 41 LEU CB C 41 41.855 41.855 44.502 -2.647 18226 10668 1 31 . 1 1 41 41 LEU H H 41 8.435 8.435 8.107 0.328 18226 10669 1 31 . 1 1 42 42 GLY N N 42 105.718 105.718 108.128 -2.410 18226 10670 1 31 . 1 1 42 42 GLY C C 42 174.908 174.908 174.285 0.623 18226 10671 1 31 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.572 0.070 18226 10672 1 31 . 1 1 42 42 GLY H H 42 8.208 8.208 8.430 -0.222 18226 10673 1 31 . 1 1 43 43 THR N N 43 111.959 111.959 113.092 -1.133 18226 10674 1 31 . 1 1 43 43 THR HA H 43 4.348 4.348 4.252 0.096 18226 10675 1 31 . 1 1 43 43 THR C C 43 175.665 175.665 174.103 1.562 18226 10676 1 31 . 1 1 43 43 THR CA C 43 63.097 63.097 63.060 0.037 18226 10677 1 31 . 1 1 43 43 THR CB C 43 69.867 69.867 69.016 0.851 18226 10678 1 31 . 1 1 43 43 THR H H 43 7.789 7.789 7.268 0.521 18226 10679 1 31 . 1 1 44 44 THR N N 44 113.271 113.271 117.223 -3.952 18226 10680 1 31 . 1 1 44 44 THR HA H 44 4.308 4.308 3.949 0.359 18226 10681 1 31 . 1 1 44 44 THR C C 44 175.754 175.754 175.811 -0.057 18226 10682 1 31 . 1 1 44 44 THR CA C 44 63.194 63.194 63.984 -0.790 18226 10683 1 31 . 1 1 44 44 THR CB C 44 70.171 70.171 67.552 2.619 18226 10684 1 31 . 1 1 44 44 THR H H 44 7.833 7.833 8.206 -0.373 18226 10685 1 31 . 1 1 45 45 GLY N N 45 109.879 109.879 109.904 -0.025 18226 10686 1 31 . 1 1 45 45 GLY C C 45 175.221 175.221 174.112 1.109 18226 10687 1 31 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.588 0.951 18226 10688 1 31 . 1 1 45 45 GLY H H 45 8.259 8.259 8.097 0.162 18226 10689 1 31 . 1 1 46 46 ASN N N 46 117.998 117.998 116.621 1.377 18226 10690 1 31 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.901 -0.289 18226 10691 1 31 . 1 1 46 46 ASN C C 46 176.215 176.215 176.481 -0.266 18226 10692 1 31 . 1 1 46 46 ASN CA C 46 54.840 54.840 52.956 1.883 18226 10693 1 31 . 1 1 46 46 ASN CB C 46 38.566 38.566 39.508 -0.942 18226 10694 1 31 . 1 1 46 46 ASN H H 46 8.235 8.235 8.451 -0.216 18226 10695 1 31 . 1 1 47 47 GLY N N 47 106.990 106.990 108.774 -1.784 18226 10696 1 31 . 1 1 47 47 GLY C C 47 174.659 174.659 174.712 -0.053 18226 10697 1 31 . 1 1 47 47 GLY CA C 47 46.979 46.979 46.095 0.884 18226 10698 1 31 . 1 1 47 47 GLY H H 47 8.425 8.425 7.738 0.687 18226 10699 1 31 . 1 1 48 48 LEU N N 48 120.699 120.699 119.343 1.356 18226 10700 1 31 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.552 -0.252 18226 10701 1 31 . 1 1 48 48 LEU C C 48 179.482 179.482 176.463 3.019 18226 10702 1 31 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.565 1.880 18226 10703 1 31 . 1 1 48 48 LEU CB C 48 41.566 41.566 40.929 0.637 18226 10704 1 31 . 1 1 48 48 LEU H H 48 7.956 7.956 7.975 -0.019 18226 10705 1 31 . 1 1 49 49 VAL N N 49 120.101 120.101 117.367 2.734 18226 10706 1 31 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.012 -0.133 18226 10707 1 31 . 1 1 49 49 VAL C C 49 177.535 177.535 176.250 1.285 18226 10708 1 31 . 1 1 49 49 VAL CA C 49 65.862 65.862 62.934 2.928 18226 10709 1 31 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.682 -0.903 18226 10710 1 31 . 1 1 49 49 VAL H H 49 7.919 7.919 7.511 0.408 18226 10711 1 31 . 1 1 50 50 LEU N N 50 119.268 119.268 121.352 -2.084 18226 10712 1 31 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.473 -0.430 18226 10713 1 31 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.199 0.646 18226 10714 1 31 . 1 1 50 50 LEU CB C 50 41.877 41.877 43.067 -1.190 18226 10715 1 31 . 1 1 50 50 LEU H H 50 7.731 7.731 7.528 0.203 18226 10716 1 31 . 1 1 51 51 TRP N N 51 118.033 118.033 121.037 -3.004 18226 10717 1 31 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.368 0.224 18226 10718 1 31 . 1 1 51 51 TRP C C 51 177.302 177.302 177.057 0.245 18226 10719 1 31 . 1 1 51 51 TRP CA C 51 59.789 59.789 60.217 -0.428 18226 10720 1 31 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.535 0.673 18226 10721 1 31 . 1 1 51 51 TRP H H 51 8.070 8.070 7.614 0.456 18226 10722 1 31 . 1 1 52 52 THR N N 52 113.014 113.014 112.657 0.357 18226 10723 1 31 . 1 1 52 52 THR HA H 52 3.746 3.746 4.177 -0.431 18226 10724 1 31 . 1 1 52 52 THR C C 52 176.361 176.361 174.441 1.920 18226 10725 1 31 . 1 1 52 52 THR CA C 52 66.443 66.443 62.844 3.599 18226 10726 1 31 . 1 1 52 52 THR CB C 52 69.017 69.017 67.520 1.497 18226 10727 1 31 . 1 1 52 52 THR H H 52 8.101 8.101 7.883 0.218 18226 10728 1 31 . 1 1 53 53 VAL N N 53 120.231 120.231 120.000 0.231 18226 10729 1 31 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.969 -0.291 18226 10730 1 31 . 1 1 53 53 VAL C C 53 177.482 177.482 176.533 0.949 18226 10731 1 31 . 1 1 53 53 VAL CA C 53 66.158 66.158 64.557 1.601 18226 10732 1 31 . 1 1 53 53 VAL CB C 53 31.767 31.767 32.809 -1.042 18226 10733 1 31 . 1 1 53 53 VAL H H 53 7.905 7.905 7.888 0.017 18226 10734 1 31 . 1 1 54 54 PHE N N 54 118.609 118.609 118.985 -0.376 18226 10735 1 31 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.346 -0.113 18226 10736 1 31 . 1 1 54 54 PHE CA C 54 60.666 60.666 60.815 -0.149 18226 10737 1 31 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.793 0.465 18226 10738 1 31 . 1 1 54 54 PHE H H 54 8.025 8.025 8.167 -0.142 18226 10739 1 31 . 1 1 55 55 ARG N N 55 117.305 117.305 119.198 -1.893 18226 10740 1 31 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.255 -0.447 18226 10741 1 31 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.662 0.048 18226 10742 1 31 . 1 1 55 55 ARG CB C 55 29.663 29.663 29.922 -0.259 18226 10743 1 31 . 1 1 55 55 ARG H H 55 8.025 8.025 7.415 0.610 18226 10744 1 31 . 1 1 56 56 LYS N N 56 118.321 118.321 116.976 1.345 18226 10745 1 31 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.266 -0.096 18226 10746 1 31 . 1 1 56 56 LYS CA C 56 57.440 57.440 57.754 -0.314 18226 10747 1 31 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.979 0.950 18226 10748 1 31 . 1 1 56 56 LYS H H 56 7.717 7.717 8.309 -0.592 18226 10749 1 31 . 1 1 57 57 LYS N N 57 118.349 118.349 117.154 1.195 18226 10750 1 31 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.345 -0.056 18226 10751 1 31 . 1 1 57 57 LYS C C 57 176.891 176.891 177.136 -0.245 18226 10752 1 31 . 1 1 57 57 LYS CA C 57 56.373 56.373 55.655 0.718 18226 10753 1 31 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.636 0.228 18226 10754 1 31 . 1 1 57 57 LYS H H 57 7.872 7.872 7.942 -0.070 18226 10755 1 31 . 1 1 58 58 GLY N N 58 107.442 107.442 107.896 -0.454 18226 10756 1 31 . 1 1 58 58 GLY C C 58 173.263 173.263 174.310 -1.047 18226 10757 1 31 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.561 0.996 18226 10758 1 31 . 1 1 58 58 GLY H H 58 8.060 8.060 7.413 0.647 18226 10759 1 31 . 1 1 59 59 HIS N N 59 116.928 116.928 122.282 -5.354 18226 10760 1 31 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.183 0.485 18226 10761 1 31 . 1 1 59 59 HIS C C 59 173.935 173.935 175.803 -1.868 18226 10762 1 31 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.126 -3.041 18226 10763 1 31 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.849 -0.627 18226 10764 1 31 . 1 1 59 59 HIS H H 59 8.076 8.076 8.679 -0.603 18226 10765 1 31 . 1 1 60 60 HIS N N 60 119.187 119.187 115.775 3.412 18226 10766 1 31 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.707 -0.036 18226 10767 1 31 . 1 1 60 60 HIS C C 60 173.926 173.926 175.397 -1.471 18226 10768 1 31 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.398 -0.969 18226 10769 1 31 . 1 1 60 60 HIS CB C 60 29.157 29.157 30.461 -1.304 18226 10770 1 31 . 1 1 60 60 HIS H H 60 8.547 8.547 7.738 0.809 18226 10771 1 31 . 1 1 61 61 HIS N N 61 120.017 120.017 118.710 1.307 18226 10772 1 31 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.601 0.066 18226 10773 1 31 . 1 1 61 61 HIS C C 61 173.994 173.994 174.810 -0.816 18226 10774 1 31 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.710 -1.277 18226 10775 1 31 . 1 1 61 61 HIS CB C 61 29.201 29.201 28.415 0.786 18226 10776 1 31 . 1 1 61 61 HIS H H 61 8.662 8.662 7.508 1.154 18226 10777 1 31 . 1 1 62 62 HIS N N 62 120.463 120.463 123.779 -3.316 18226 10778 1 31 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.693 -0.036 18226 10779 1 31 . 1 1 62 62 HIS C C 62 173.939 173.939 174.041 -0.102 18226 10780 1 31 . 1 1 62 62 HIS CA C 62 55.376 55.376 56.817 -1.441 18226 10781 1 31 . 1 1 62 62 HIS CB C 62 29.291 29.291 27.894 1.397 18226 10782 1 31 . 1 1 62 62 HIS H H 62 8.729 8.729 8.865 -0.136 18226 10783 1 31 . 1 1 63 63 HIS N N 63 120.370 120.370 122.226 -1.856 18226 10784 1 31 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.373 0.285 18226 10785 1 31 . 1 1 63 63 HIS C C 63 173.564 173.564 173.332 0.232 18226 10786 1 31 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.206 0.403 18226 10787 1 31 . 1 1 63 63 HIS CB C 63 29.365 29.365 29.536 -0.171 18226 10788 1 31 . 1 1 63 63 HIS H H 63 8.619 8.619 8.189 0.430 18226 10789 1 32 . 1 1 2 2 GLU N N 2 123.545 123.545 121.953 1.592 18226 10790 1 32 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.253 0.134 18226 10791 1 32 . 1 1 2 2 GLU C C 2 175.742 175.742 175.251 0.491 18226 10792 1 32 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.801 -0.438 18226 10793 1 32 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.741 0.013 18226 10794 1 32 . 1 1 2 2 GLU H H 2 8.765 8.765 8.599 0.166 18226 10795 1 32 . 1 1 3 3 GLU N N 3 122.227 122.227 122.203 0.024 18226 10796 1 32 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.371 -0.038 18226 10797 1 32 . 1 1 3 3 GLU C C 3 176.636 176.636 177.831 -1.195 18226 10798 1 32 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.425 0.063 18226 10799 1 32 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.347 -0.590 18226 10800 1 32 . 1 1 3 3 GLU H H 3 8.550 8.550 8.566 -0.016 18226 10801 1 32 . 1 1 4 4 GLY N N 4 110.108 110.108 107.280 2.828 18226 10802 1 32 . 1 1 4 4 GLY C C 4 174.548 174.548 173.903 0.645 18226 10803 1 32 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.604 0.871 18226 10804 1 32 . 1 1 4 4 GLY H H 4 8.453 8.453 8.177 0.276 18226 10805 1 32 . 1 1 5 5 GLY N N 5 108.466 108.466 109.921 -1.455 18226 10806 1 32 . 1 1 5 5 GLY C C 5 173.790 173.790 173.713 0.077 18226 10807 1 32 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.648 -0.284 18226 10808 1 32 . 1 1 5 5 GLY H H 5 8.168 8.168 8.578 -0.410 18226 10809 1 32 . 1 1 6 6 ASP N N 6 119.764 119.764 117.423 2.341 18226 10810 1 32 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.368 0.215 18226 10811 1 32 . 1 1 6 6 ASP C C 6 175.811 175.811 174.484 1.327 18226 10812 1 32 . 1 1 6 6 ASP CA C 6 53.992 53.992 52.859 1.133 18226 10813 1 32 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.059 -0.802 18226 10814 1 32 . 1 1 6 6 ASP H H 6 8.187 8.187 7.616 0.571 18226 10815 1 32 . 1 1 7 7 PHE N N 7 119.941 119.941 119.401 0.540 18226 10816 1 32 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.906 -0.340 18226 10817 1 32 . 1 1 7 7 PHE C C 7 175.636 175.636 174.488 1.148 18226 10818 1 32 . 1 1 7 7 PHE CA C 7 58.071 58.071 57.501 0.570 18226 10819 1 32 . 1 1 7 7 PHE CB C 7 39.319 39.319 39.992 -0.673 18226 10820 1 32 . 1 1 7 7 PHE H H 7 8.103 8.103 7.600 0.503 18226 10821 1 32 . 1 1 8 8 ASP N N 8 120.418 120.418 118.079 2.339 18226 10822 1 32 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.773 -0.236 18226 10823 1 32 . 1 1 8 8 ASP C C 8 175.548 175.548 175.570 -0.022 18226 10824 1 32 . 1 1 8 8 ASP CA C 8 54.373 54.373 53.333 1.040 18226 10825 1 32 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.986 -0.599 18226 10826 1 32 . 1 1 8 8 ASP H H 8 8.177 8.177 8.106 0.071 18226 10827 1 32 . 1 1 9 9 ASN N N 9 118.260 118.260 117.871 0.389 18226 10828 1 32 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.680 -0.093 18226 10829 1 32 . 1 1 9 9 ASN C C 9 174.782 174.782 174.668 0.114 18226 10830 1 32 . 1 1 9 9 ASN CA C 9 53.397 53.397 54.438 -1.040 18226 10831 1 32 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.033 -0.271 18226 10832 1 32 . 1 1 9 9 ASN H H 9 8.057 8.057 8.119 -0.062 18226 10833 1 32 . 1 1 10 10 TYR N N 10 120.145 120.145 119.933 0.212 18226 10834 1 32 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.487 -0.048 18226 10835 1 32 . 1 1 10 10 TYR C C 10 175.520 175.520 176.065 -0.545 18226 10836 1 32 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.440 -1.071 18226 10837 1 32 . 1 1 10 10 TYR CB C 10 38.749 38.749 39.273 -0.524 18226 10838 1 32 . 1 1 10 10 TYR H H 10 7.951 7.951 8.460 -0.509 18226 10839 1 32 . 1 1 11 11 TYR N N 11 121.223 121.223 119.581 1.642 18226 10840 1 32 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.564 -0.065 18226 10841 1 32 . 1 1 11 11 TYR C C 11 175.974 175.974 175.346 0.628 18226 10842 1 32 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.164 -0.091 18226 10843 1 32 . 1 1 11 11 TYR CB C 11 38.671 38.671 36.474 2.197 18226 10844 1 32 . 1 1 11 11 TYR H H 11 7.971 7.971 8.395 -0.424 18226 10845 1 32 . 1 1 12 12 GLY N N 12 109.861 109.861 107.115 2.746 18226 10846 1 32 . 1 1 12 12 GLY C C 12 173.775 173.775 173.287 0.488 18226 10847 1 32 . 1 1 12 12 GLY CA C 12 45.380 45.380 46.084 -0.704 18226 10848 1 32 . 1 1 12 12 GLY H H 12 7.769 7.769 7.759 0.010 18226 10849 1 32 . 1 1 13 13 ALA N N 13 123.378 123.378 122.831 0.547 18226 10850 1 32 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.388 -0.086 18226 10851 1 32 . 1 1 13 13 ALA C C 13 177.509 177.509 176.490 1.019 18226 10852 1 32 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.529 0.098 18226 10853 1 32 . 1 1 13 13 ALA CB C 13 19.444 19.444 18.910 0.534 18226 10854 1 32 . 1 1 13 13 ALA H H 13 7.975 7.975 7.645 0.330 18226 10855 1 32 . 1 1 14 14 ASP N N 14 118.494 118.494 119.306 -0.812 18226 10856 1 32 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.349 0.285 18226 10857 1 32 . 1 1 14 14 ASP C C 14 175.747 175.747 174.728 1.019 18226 10858 1 32 . 1 1 14 14 ASP CA C 14 54.002 54.002 55.064 -1.062 18226 10859 1 32 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.376 -0.214 18226 10860 1 32 . 1 1 14 14 ASP H H 14 8.307 8.307 8.535 -0.228 18226 10861 1 32 . 1 1 15 15 ASN N N 15 118.834 118.834 115.537 3.297 18226 10862 1 32 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.748 -0.086 18226 10863 1 32 . 1 1 15 15 ASN C C 15 175.258 175.258 175.708 -0.450 18226 10864 1 32 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.100 0.415 18226 10865 1 32 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.417 0.340 18226 10866 1 32 . 1 1 15 15 ASN H H 15 8.221 8.221 7.768 0.453 18226 10867 1 32 . 1 1 16 16 GLN N N 16 120.413 120.413 119.132 1.281 18226 10868 1 32 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.287 0.068 18226 10869 1 32 . 1 1 16 16 GLN C C 16 176.096 176.096 175.823 0.273 18226 10870 1 32 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.481 -1.241 18226 10871 1 32 . 1 1 16 16 GLN CB C 16 29.370 29.370 29.148 0.222 18226 10872 1 32 . 1 1 16 16 GLN H H 16 8.295 8.295 8.454 -0.159 18226 10873 1 32 . 1 1 17 17 SER N N 17 116.692 116.692 114.027 2.665 18226 10874 1 32 . 1 1 17 17 SER HA H 17 4.428 4.428 4.528 -0.100 18226 10875 1 32 . 1 1 17 17 SER C C 17 174.523 174.523 173.210 1.313 18226 10876 1 32 . 1 1 17 17 SER CA C 17 58.683 58.683 58.823 -0.140 18226 10877 1 32 . 1 1 17 17 SER CB C 17 63.794 63.794 63.080 0.715 18226 10878 1 32 . 1 1 17 17 SER H H 17 8.267 8.267 7.891 0.376 18226 10879 1 32 . 1 1 18 18 GLU N N 18 122.142 122.142 124.042 -1.900 18226 10880 1 32 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.415 -0.052 18226 10881 1 32 . 1 1 18 18 GLU C C 18 175.937 175.937 176.582 -0.645 18226 10882 1 32 . 1 1 18 18 GLU CA C 18 56.305 56.305 55.930 0.375 18226 10883 1 32 . 1 1 18 18 GLU CB C 18 29.506 29.506 28.465 1.041 18226 10884 1 32 . 1 1 18 18 GLU H H 18 8.330 8.330 8.749 -0.419 18226 10885 1 32 . 1 1 19 19 CYS N N 19 120.077 120.077 118.851 1.226 18226 10886 1 32 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.344 0.088 18226 10887 1 32 . 1 1 19 19 CYS C C 19 174.442 174.442 174.869 -0.427 18226 10888 1 32 . 1 1 19 19 CYS CA C 19 58.613 58.613 60.724 -2.111 18226 10889 1 32 . 1 1 19 19 CYS CB C 19 27.999 27.999 27.599 0.400 18226 10890 1 32 . 1 1 19 19 CYS H H 19 8.276 8.276 8.196 0.080 18226 10891 1 32 . 1 1 20 20 GLU N N 20 123.369 123.369 119.575 3.794 18226 10892 1 32 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.537 -0.234 18226 10893 1 32 . 1 1 20 20 GLU C C 20 175.858 175.858 175.559 0.299 18226 10894 1 32 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.575 -0.118 18226 10895 1 32 . 1 1 20 20 GLU CB C 20 29.150 29.150 28.591 0.559 18226 10896 1 32 . 1 1 20 20 GLU H H 20 8.400 8.400 8.748 -0.348 18226 10897 1 32 . 1 1 21 21 TYR N N 21 119.980 119.980 116.223 3.757 18226 10898 1 32 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.869 -0.325 18226 10899 1 32 . 1 1 21 21 TYR C C 21 175.669 175.669 175.357 0.312 18226 10900 1 32 . 1 1 21 21 TYR CA C 21 58.103 58.103 58.237 -0.134 18226 10901 1 32 . 1 1 21 21 TYR CB C 21 38.677 38.677 40.082 -1.405 18226 10902 1 32 . 1 1 21 21 TYR H H 21 7.991 7.991 7.736 0.255 18226 10903 1 32 . 1 1 22 22 THR N N 22 113.984 113.984 112.755 1.229 18226 10904 1 32 . 1 1 22 22 THR HA H 22 4.164 4.164 4.251 -0.087 18226 10905 1 32 . 1 1 22 22 THR C C 22 174.259 174.259 174.559 -0.300 18226 10906 1 32 . 1 1 22 22 THR CA C 22 62.381 62.381 62.265 0.116 18226 10907 1 32 . 1 1 22 22 THR CB C 22 69.551 69.551 69.771 -0.220 18226 10908 1 32 . 1 1 22 22 THR H H 22 7.821 7.821 7.180 0.641 18226 10909 1 32 . 1 1 23 23 ASP N N 23 121.930 121.930 123.412 -1.482 18226 10910 1 32 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.455 0.216 18226 10911 1 32 . 1 1 23 23 ASP C C 23 176.164 176.164 176.613 -0.449 18226 10912 1 32 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.626 -0.945 18226 10913 1 32 . 1 1 23 23 ASP CB C 23 39.606 39.606 40.554 -0.948 18226 10914 1 32 . 1 1 23 23 ASP H H 23 8.106 8.106 7.788 0.318 18226 10915 1 32 . 1 1 24 24 TRP N N 24 121.947 121.947 118.203 3.744 18226 10916 1 32 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.574 -0.092 18226 10917 1 32 . 1 1 24 24 TRP C C 24 176.496 176.496 175.848 0.648 18226 10918 1 32 . 1 1 24 24 TRP CA C 24 58.238 58.238 58.330 -0.092 18226 10919 1 32 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.213 -0.024 18226 10920 1 32 . 1 1 24 24 TRP H H 24 7.991 7.991 8.087 -0.096 18226 10921 1 32 . 1 1 25 25 LYS N N 25 119.673 119.673 115.324 4.349 18226 10922 1 32 . 1 1 25 25 LYS HA H 25 3.989 3.989 3.848 0.141 18226 10923 1 32 . 1 1 25 25 LYS C C 25 176.770 176.770 175.463 1.307 18226 10924 1 32 . 1 1 25 25 LYS CA C 25 57.467 57.467 54.453 3.014 18226 10925 1 32 . 1 1 25 25 LYS CB C 25 31.953 31.953 30.984 0.969 18226 10926 1 32 . 1 1 25 25 LYS H H 25 7.588 7.588 6.731 0.857 18226 10927 1 32 . 1 1 26 26 SER N N 26 114.157 114.157 114.842 -0.685 18226 10928 1 32 . 1 1 26 26 SER HA H 26 4.462 4.462 4.034 0.428 18226 10929 1 32 . 1 1 26 26 SER C C 26 175.126 175.126 173.991 1.135 18226 10930 1 32 . 1 1 26 26 SER CA C 26 58.673 58.673 58.877 -0.204 18226 10931 1 32 . 1 1 26 26 SER CB C 26 63.801 63.801 62.714 1.087 18226 10932 1 32 . 1 1 26 26 SER H H 26 7.823 7.823 7.628 0.195 18226 10933 1 32 . 1 1 27 27 SER N N 27 117.353 117.353 120.002 -2.649 18226 10934 1 32 . 1 1 27 27 SER HA H 27 4.288 4.288 4.386 -0.098 18226 10935 1 32 . 1 1 27 27 SER C C 27 175.598 175.598 174.811 0.787 18226 10936 1 32 . 1 1 27 27 SER CA C 27 60.216 60.216 59.585 0.631 18226 10937 1 32 . 1 1 27 27 SER CB C 27 63.684 63.684 63.738 -0.054 18226 10938 1 32 . 1 1 27 27 SER H H 27 8.178 8.178 8.217 -0.039 18226 10939 1 32 . 1 1 28 28 GLY N N 28 110.249 110.249 109.599 0.650 18226 10940 1 32 . 1 1 28 28 GLY C C 28 174.667 174.667 174.048 0.619 18226 10941 1 32 . 1 1 28 28 GLY CA C 28 46.276 46.276 46.633 -0.357 18226 10942 1 32 . 1 1 28 28 GLY H H 28 8.359 8.359 8.749 -0.390 18226 10943 1 32 . 1 1 29 29 ALA N N 29 121.959 121.959 120.528 1.431 18226 10944 1 32 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.531 -0.203 18226 10945 1 32 . 1 1 29 29 ALA C C 29 177.873 177.873 176.784 1.089 18226 10946 1 32 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.227 1.034 18226 10947 1 32 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.253 0.384 18226 10948 1 32 . 1 1 29 29 ALA H H 29 7.931 7.931 7.576 0.355 18226 10949 1 32 . 1 1 30 30 LEU N N 30 117.460 117.460 118.437 -0.977 18226 10950 1 32 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.395 -0.187 18226 10951 1 32 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.967 1.425 18226 10952 1 32 . 1 1 30 30 LEU CB C 30 42.605 42.605 43.492 -0.887 18226 10953 1 32 . 1 1 30 30 LEU H H 30 7.924 7.924 7.587 0.337 18226 10954 1 32 . 1 1 31 31 ILE N N 31 117.379 117.379 119.813 -2.434 18226 10955 1 32 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.154 -0.231 18226 10956 1 32 . 1 1 31 31 ILE CA C 31 66.011 66.011 62.936 3.075 18226 10957 1 32 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.301 -1.078 18226 10958 1 32 . 1 1 31 31 ILE H H 31 8.100 8.100 8.131 -0.031 18226 10959 1 32 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.453 -0.135 18226 10960 1 32 . 1 1 32 32 PRO C C 32 178.706 178.706 176.118 2.588 18226 10961 1 32 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.960 2.071 18226 10962 1 32 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.696 0.571 18226 10963 1 32 . 1 1 33 33 ALA N N 33 119.040 119.040 120.435 -1.395 18226 10964 1 32 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.493 -0.298 18226 10965 1 32 . 1 1 33 33 ALA C C 33 179.052 179.052 177.042 2.010 18226 10966 1 32 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.191 3.202 18226 10967 1 32 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.318 -0.787 18226 10968 1 32 . 1 1 33 33 ALA H H 33 7.462 7.462 8.110 -0.648 18226 10969 1 32 . 1 1 34 34 ILE N N 34 118.037 118.037 111.090 6.947 18226 10970 1 32 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.497 -0.775 18226 10971 1 32 . 1 1 34 34 ILE C C 34 177.827 177.827 176.692 1.135 18226 10972 1 32 . 1 1 34 34 ILE CA C 34 65.023 65.023 61.881 3.142 18226 10973 1 32 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.843 -2.502 18226 10974 1 32 . 1 1 34 34 ILE H H 34 8.176 8.176 7.409 0.767 18226 10975 1 32 . 1 1 35 35 TYR N N 35 118.783 118.783 121.859 -3.076 18226 10976 1 32 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.690 -0.545 18226 10977 1 32 . 1 1 35 35 TYR C C 35 178.062 178.062 176.054 2.008 18226 10978 1 32 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.279 1.270 18226 10979 1 32 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.179 0.563 18226 10980 1 32 . 1 1 35 35 TYR H H 35 8.306 8.306 7.994 0.312 18226 10981 1 32 . 1 1 36 36 MET N N 36 118.068 118.068 115.213 2.855 18226 10982 1 32 . 1 1 36 36 MET HA H 36 4.317 4.317 4.724 -0.407 18226 10983 1 32 . 1 1 36 36 MET C C 36 178.183 178.183 176.219 1.964 18226 10984 1 32 . 1 1 36 36 MET CA C 36 58.533 58.533 55.715 2.818 18226 10985 1 32 . 1 1 36 36 MET CB C 36 32.288 32.288 32.574 -0.286 18226 10986 1 32 . 1 1 36 36 MET H H 36 8.090 8.090 7.808 0.282 18226 10987 1 32 . 1 1 37 37 LEU N N 37 120.316 120.316 119.575 0.741 18226 10988 1 32 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.095 0.020 18226 10989 1 32 . 1 1 37 37 LEU C C 37 178.353 178.353 177.855 0.498 18226 10990 1 32 . 1 1 37 37 LEU CA C 37 58.330 58.330 57.129 1.201 18226 10991 1 32 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.394 0.520 18226 10992 1 32 . 1 1 37 37 LEU H H 37 8.106 8.106 8.239 -0.133 18226 10993 1 32 . 1 1 38 38 VAL N N 38 118.385 118.385 117.538 0.847 18226 10994 1 32 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.992 -0.463 18226 10995 1 32 . 1 1 38 38 VAL C C 38 178.216 178.216 176.737 1.479 18226 10996 1 32 . 1 1 38 38 VAL CA C 38 67.042 67.042 64.978 2.063 18226 10997 1 32 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.953 -1.327 18226 10998 1 32 . 1 1 38 38 VAL H H 38 8.305 8.305 7.364 0.941 18226 10999 1 32 . 1 1 39 39 PHE N N 39 120.216 120.216 116.681 3.535 18226 11000 1 32 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.417 -0.156 18226 11001 1 32 . 1 1 39 39 PHE C C 39 178.597 178.597 175.486 3.111 18226 11002 1 32 . 1 1 39 39 PHE CA C 39 61.320 61.320 59.603 1.717 18226 11003 1 32 . 1 1 39 39 PHE CB C 39 38.889 38.889 36.863 2.026 18226 11004 1 32 . 1 1 39 39 PHE H H 39 8.196 8.196 8.543 -0.347 18226 11005 1 32 . 1 1 40 40 LEU N N 40 120.772 120.772 117.449 3.323 18226 11006 1 32 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.443 -0.393 18226 11007 1 32 . 1 1 40 40 LEU C C 40 179.666 179.666 176.471 3.195 18226 11008 1 32 . 1 1 40 40 LEU CA C 40 57.906 57.906 55.205 2.701 18226 11009 1 32 . 1 1 40 40 LEU CB C 40 42.340 42.340 44.080 -1.740 18226 11010 1 32 . 1 1 40 40 LEU H H 40 8.452 8.452 8.105 0.347 18226 11011 1 32 . 1 1 41 41 LEU N N 41 119.185 119.185 119.372 -0.187 18226 11012 1 32 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.539 -0.440 18226 11013 1 32 . 1 1 41 41 LEU C C 41 178.878 178.878 177.997 0.881 18226 11014 1 32 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.769 1.617 18226 11015 1 32 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.193 -1.338 18226 11016 1 32 . 1 1 41 41 LEU H H 41 8.435 8.435 7.950 0.485 18226 11017 1 32 . 1 1 42 42 GLY N N 42 105.718 105.718 106.849 -1.131 18226 11018 1 32 . 1 1 42 42 GLY C C 42 174.908 174.908 173.914 0.994 18226 11019 1 32 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.190 0.452 18226 11020 1 32 . 1 1 42 42 GLY H H 42 8.208 8.208 7.703 0.505 18226 11021 1 32 . 1 1 43 43 THR N N 43 111.959 111.959 112.158 -0.199 18226 11022 1 32 . 1 1 43 43 THR HA H 43 4.348 4.348 4.216 0.132 18226 11023 1 32 . 1 1 43 43 THR C C 43 175.665 175.665 173.778 1.887 18226 11024 1 32 . 1 1 43 43 THR CA C 43 63.097 63.097 61.982 1.115 18226 11025 1 32 . 1 1 43 43 THR CB C 43 69.867 69.867 68.955 0.912 18226 11026 1 32 . 1 1 43 43 THR H H 43 7.789 7.789 7.227 0.562 18226 11027 1 32 . 1 1 44 44 THR N N 44 113.271 113.271 119.846 -6.575 18226 11028 1 32 . 1 1 44 44 THR HA H 44 4.308 4.308 3.978 0.330 18226 11029 1 32 . 1 1 44 44 THR C C 44 175.754 175.754 175.576 0.178 18226 11030 1 32 . 1 1 44 44 THR CA C 44 63.194 63.194 64.093 -0.899 18226 11031 1 32 . 1 1 44 44 THR CB C 44 70.171 70.171 67.816 2.355 18226 11032 1 32 . 1 1 44 44 THR H H 44 7.833 7.833 8.571 -0.738 18226 11033 1 32 . 1 1 45 45 GLY N N 45 109.879 109.879 114.150 -4.271 18226 11034 1 32 . 1 1 45 45 GLY C C 45 175.221 175.221 175.270 -0.049 18226 11035 1 32 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.848 0.691 18226 11036 1 32 . 1 1 45 45 GLY H H 45 8.259 8.259 8.438 -0.179 18226 11037 1 32 . 1 1 46 46 ASN N N 46 117.998 117.998 123.376 -5.378 18226 11038 1 32 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.553 0.059 18226 11039 1 32 . 1 1 46 46 ASN C C 46 176.215 176.215 176.963 -0.748 18226 11040 1 32 . 1 1 46 46 ASN CA C 46 54.840 54.840 54.854 -0.014 18226 11041 1 32 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.382 0.184 18226 11042 1 32 . 1 1 46 46 ASN H H 46 8.235 8.235 8.339 -0.104 18226 11043 1 32 . 1 1 47 47 GLY N N 47 106.990 106.990 105.912 1.078 18226 11044 1 32 . 1 1 47 47 GLY C C 47 174.659 174.659 174.796 -0.137 18226 11045 1 32 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.831 1.149 18226 11046 1 32 . 1 1 47 47 GLY H H 47 8.425 8.425 7.993 0.432 18226 11047 1 32 . 1 1 48 48 LEU N N 48 120.699 120.699 119.352 1.347 18226 11048 1 32 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.609 -0.309 18226 11049 1 32 . 1 1 48 48 LEU C C 48 179.482 179.482 176.767 2.715 18226 11050 1 32 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.001 2.444 18226 11051 1 32 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.823 -0.257 18226 11052 1 32 . 1 1 48 48 LEU H H 48 7.956 7.956 7.664 0.292 18226 11053 1 32 . 1 1 49 49 VAL N N 49 120.101 120.101 118.807 1.294 18226 11054 1 32 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.002 -0.123 18226 11055 1 32 . 1 1 49 49 VAL C C 49 177.535 177.535 176.710 0.825 18226 11056 1 32 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.834 1.028 18226 11057 1 32 . 1 1 49 49 VAL CB C 49 31.779 31.779 33.066 -1.288 18226 11058 1 32 . 1 1 49 49 VAL H H 49 7.919 7.919 7.628 0.291 18226 11059 1 32 . 1 1 50 50 LEU N N 50 119.268 119.268 115.314 3.954 18226 11060 1 32 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.656 -0.613 18226 11061 1 32 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.381 1.464 18226 11062 1 32 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.643 -0.766 18226 11063 1 32 . 1 1 50 50 LEU H H 50 7.731 7.731 7.853 -0.122 18226 11064 1 32 . 1 1 51 51 TRP N N 51 118.033 118.033 121.628 -3.595 18226 11065 1 32 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.622 -0.030 18226 11066 1 32 . 1 1 51 51 TRP C C 51 177.302 177.302 175.318 1.984 18226 11067 1 32 . 1 1 51 51 TRP CA C 51 59.789 59.789 58.455 1.334 18226 11068 1 32 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.578 0.629 18226 11069 1 32 . 1 1 51 51 TRP H H 51 8.070 8.070 8.391 -0.321 18226 11070 1 32 . 1 1 52 52 THR N N 52 113.014 113.014 113.516 -0.502 18226 11071 1 32 . 1 1 52 52 THR HA H 52 3.746 3.746 4.182 -0.436 18226 11072 1 32 . 1 1 52 52 THR C C 52 176.361 176.361 175.885 0.476 18226 11073 1 32 . 1 1 52 52 THR CA C 52 66.443 66.443 63.966 2.477 18226 11074 1 32 . 1 1 52 52 THR CB C 52 69.017 69.017 68.768 0.249 18226 11075 1 32 . 1 1 52 52 THR H H 52 8.101 8.101 7.655 0.446 18226 11076 1 32 . 1 1 53 53 VAL N N 53 120.231 120.231 120.873 -0.642 18226 11077 1 32 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.814 -0.136 18226 11078 1 32 . 1 1 53 53 VAL C C 53 177.482 177.482 177.508 -0.026 18226 11079 1 32 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.435 -0.277 18226 11080 1 32 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.715 0.052 18226 11081 1 32 . 1 1 53 53 VAL H H 53 7.905 7.905 7.517 0.388 18226 11082 1 32 . 1 1 54 54 PHE N N 54 118.609 118.609 117.131 1.478 18226 11083 1 32 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.230 0.003 18226 11084 1 32 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.446 2.220 18226 11085 1 32 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.058 1.200 18226 11086 1 32 . 1 1 54 54 PHE H H 54 8.025 8.025 7.966 0.059 18226 11087 1 32 . 1 1 55 55 ARG N N 55 117.305 117.305 119.910 -2.605 18226 11088 1 32 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.253 -0.445 18226 11089 1 32 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.560 0.150 18226 11090 1 32 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.976 -1.313 18226 11091 1 32 . 1 1 55 55 ARG H H 55 8.025 8.025 7.079 0.946 18226 11092 1 32 . 1 1 56 56 LYS N N 56 118.321 118.321 118.579 -0.258 18226 11093 1 32 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.105 0.065 18226 11094 1 32 . 1 1 56 56 LYS CA C 56 57.440 57.440 59.050 -1.610 18226 11095 1 32 . 1 1 56 56 LYS CB C 56 32.929 32.929 32.393 0.536 18226 11096 1 32 . 1 1 56 56 LYS H H 56 7.717 7.717 7.605 0.112 18226 11097 1 32 . 1 1 57 57 LYS N N 57 118.349 118.349 114.984 3.365 18226 11098 1 32 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.341 -0.052 18226 11099 1 32 . 1 1 57 57 LYS C C 57 176.891 176.891 176.367 0.524 18226 11100 1 32 . 1 1 57 57 LYS CA C 57 56.373 56.373 55.420 0.953 18226 11101 1 32 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.632 0.232 18226 11102 1 32 . 1 1 57 57 LYS H H 57 7.872 7.872 7.525 0.347 18226 11103 1 32 . 1 1 58 58 GLY N N 58 107.442 107.442 108.923 -1.481 18226 11104 1 32 . 1 1 58 58 GLY C C 58 173.263 173.263 174.821 -1.558 18226 11105 1 32 . 1 1 58 58 GLY CA C 58 45.557 45.557 45.181 0.376 18226 11106 1 32 . 1 1 58 58 GLY H H 58 8.060 8.060 7.454 0.606 18226 11107 1 32 . 1 1 59 59 HIS N N 59 116.928 116.928 123.420 -6.492 18226 11108 1 32 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.231 0.437 18226 11109 1 32 . 1 1 59 59 HIS C C 59 173.935 173.935 175.270 -1.335 18226 11110 1 32 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.857 -3.772 18226 11111 1 32 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.933 -0.710 18226 11112 1 32 . 1 1 59 59 HIS H H 59 8.076 8.076 8.712 -0.636 18226 11113 1 32 . 1 1 60 60 HIS N N 60 119.187 119.187 115.811 3.376 18226 11114 1 32 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.414 0.257 18226 11115 1 32 . 1 1 60 60 HIS C C 60 173.926 173.926 174.065 -0.139 18226 11116 1 32 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.243 -0.814 18226 11117 1 32 . 1 1 60 60 HIS CB C 60 29.157 29.157 31.036 -1.879 18226 11118 1 32 . 1 1 60 60 HIS H H 60 8.547 8.547 7.994 0.553 18226 11119 1 32 . 1 1 61 61 HIS N N 61 120.017 120.017 114.668 5.349 18226 11120 1 32 . 1 1 61 61 HIS HA H 61 4.667 4.667 5.114 -0.447 18226 11121 1 32 . 1 1 61 61 HIS C C 61 173.994 173.994 174.068 -0.074 18226 11122 1 32 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.228 0.205 18226 11123 1 32 . 1 1 61 61 HIS CB C 61 29.201 29.201 29.457 -0.256 18226 11124 1 32 . 1 1 61 61 HIS H H 61 8.662 8.662 8.335 0.327 18226 11125 1 32 . 1 1 62 62 HIS N N 62 120.463 120.463 118.968 1.495 18226 11126 1 32 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.313 0.344 18226 11127 1 32 . 1 1 62 62 HIS C C 62 173.939 173.939 173.617 0.322 18226 11128 1 32 . 1 1 62 62 HIS CA C 62 55.376 55.376 57.576 -2.200 18226 11129 1 32 . 1 1 62 62 HIS CB C 62 29.291 29.291 29.466 -0.175 18226 11130 1 32 . 1 1 62 62 HIS H H 62 8.729 8.729 8.649 0.080 18226 11131 1 32 . 1 1 63 63 HIS N N 63 120.370 120.370 122.054 -1.684 18226 11132 1 32 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.815 -0.157 18226 11133 1 32 . 1 1 63 63 HIS C C 63 173.564 173.564 174.030 -0.466 18226 11134 1 32 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.011 0.597 18226 11135 1 32 . 1 1 63 63 HIS CB C 63 29.365 29.365 32.009 -2.644 18226 11136 1 32 . 1 1 63 63 HIS H H 63 8.619 8.619 8.104 0.515 18226 11137 1 33 . 1 1 2 2 GLU N N 2 123.545 123.545 121.107 2.438 18226 11138 1 33 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.307 0.079 18226 11139 1 33 . 1 1 2 2 GLU C C 2 175.742 175.742 176.164 -0.422 18226 11140 1 33 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.671 -0.308 18226 11141 1 33 . 1 1 2 2 GLU CB C 2 29.755 29.755 28.637 1.118 18226 11142 1 33 . 1 1 2 2 GLU H H 2 8.765 8.765 8.605 0.160 18226 11143 1 33 . 1 1 3 3 GLU N N 3 122.227 122.227 121.834 0.393 18226 11144 1 33 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.211 0.122 18226 11145 1 33 . 1 1 3 3 GLU C C 3 176.636 176.636 178.037 -1.401 18226 11146 1 33 . 1 1 3 3 GLU CA C 3 56.488 56.488 57.694 -1.206 18226 11147 1 33 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.021 -0.264 18226 11148 1 33 . 1 1 3 3 GLU H H 3 8.550 8.550 8.312 0.238 18226 11149 1 33 . 1 1 4 4 GLY N N 4 110.108 110.108 107.022 3.086 18226 11150 1 33 . 1 1 4 4 GLY C C 4 174.548 174.548 174.675 -0.127 18226 11151 1 33 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.990 0.485 18226 11152 1 33 . 1 1 4 4 GLY H H 4 8.453 8.453 8.546 -0.093 18226 11153 1 33 . 1 1 5 5 GLY N N 5 108.466 108.466 107.457 1.009 18226 11154 1 33 . 1 1 5 5 GLY C C 5 173.790 173.790 173.241 0.549 18226 11155 1 33 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.612 0.752 18226 11156 1 33 . 1 1 5 5 GLY H H 5 8.168 8.168 7.619 0.549 18226 11157 1 33 . 1 1 6 6 ASP N N 6 119.764 119.764 121.155 -1.391 18226 11158 1 33 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.648 -0.065 18226 11159 1 33 . 1 1 6 6 ASP C C 6 175.811 175.811 177.130 -1.319 18226 11160 1 33 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.588 -0.596 18226 11161 1 33 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.005 -0.748 18226 11162 1 33 . 1 1 6 6 ASP H H 6 8.187 8.187 8.062 0.125 18226 11163 1 33 . 1 1 7 7 PHE N N 7 119.941 119.941 116.791 3.150 18226 11164 1 33 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.182 0.384 18226 11165 1 33 . 1 1 7 7 PHE C C 7 175.636 175.636 174.074 1.562 18226 11166 1 33 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.862 -0.791 18226 11167 1 33 . 1 1 7 7 PHE CB C 7 39.319 39.319 37.765 1.554 18226 11168 1 33 . 1 1 7 7 PHE H H 7 8.103 8.103 7.640 0.463 18226 11169 1 33 . 1 1 8 8 ASP N N 8 120.418 120.418 119.559 0.859 18226 11170 1 33 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.898 -0.361 18226 11171 1 33 . 1 1 8 8 ASP C C 8 175.548 175.548 174.907 0.641 18226 11172 1 33 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.278 0.095 18226 11173 1 33 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.495 -1.109 18226 11174 1 33 . 1 1 8 8 ASP H H 8 8.177 8.177 8.175 0.002 18226 11175 1 33 . 1 1 9 9 ASN N N 9 118.260 118.260 117.604 0.656 18226 11176 1 33 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.281 0.306 18226 11177 1 33 . 1 1 9 9 ASN C C 9 174.782 174.782 175.353 -0.571 18226 11178 1 33 . 1 1 9 9 ASN CA C 9 53.397 53.397 52.893 0.504 18226 11179 1 33 . 1 1 9 9 ASN CB C 9 38.762 38.762 40.414 -1.652 18226 11180 1 33 . 1 1 9 9 ASN H H 9 8.057 8.057 7.826 0.231 18226 11181 1 33 . 1 1 10 10 TYR N N 10 120.145 120.145 119.959 0.186 18226 11182 1 33 . 1 1 10 10 TYR HA H 10 4.439 4.439 3.879 0.560 18226 11183 1 33 . 1 1 10 10 TYR C C 10 175.520 175.520 174.423 1.097 18226 11184 1 33 . 1 1 10 10 TYR CA C 10 58.369 58.369 60.937 -2.568 18226 11185 1 33 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.347 1.402 18226 11186 1 33 . 1 1 10 10 TYR H H 10 7.951 7.951 8.455 -0.504 18226 11187 1 33 . 1 1 11 11 TYR N N 11 121.223 121.223 116.917 4.306 18226 11188 1 33 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.126 0.373 18226 11189 1 33 . 1 1 11 11 TYR C C 11 175.974 175.974 177.192 -1.218 18226 11190 1 33 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.549 -0.476 18226 11191 1 33 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.435 3.236 18226 11192 1 33 . 1 1 11 11 TYR H H 11 7.971 7.971 7.740 0.231 18226 11193 1 33 . 1 1 12 12 GLY N N 12 109.861 109.861 105.254 4.607 18226 11194 1 33 . 1 1 12 12 GLY C C 12 173.775 173.775 173.915 -0.140 18226 11195 1 33 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.901 -0.521 18226 11196 1 33 . 1 1 12 12 GLY H H 12 7.769 7.769 8.823 -1.054 18226 11197 1 33 . 1 1 13 13 ALA N N 13 123.378 123.378 122.886 0.492 18226 11198 1 33 . 1 1 13 13 ALA HA H 13 4.302 4.302 3.968 0.334 18226 11199 1 33 . 1 1 13 13 ALA C C 13 177.509 177.509 175.835 1.674 18226 11200 1 33 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.183 0.444 18226 11201 1 33 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.738 -0.293 18226 11202 1 33 . 1 1 13 13 ALA H H 13 7.975 7.975 7.582 0.393 18226 11203 1 33 . 1 1 14 14 ASP N N 14 118.494 118.494 117.724 0.770 18226 11204 1 33 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.349 0.285 18226 11205 1 33 . 1 1 14 14 ASP C C 14 175.747 175.747 175.311 0.436 18226 11206 1 33 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.507 -0.505 18226 11207 1 33 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.081 0.081 18226 11208 1 33 . 1 1 14 14 ASP H H 14 8.307 8.307 8.473 -0.166 18226 11209 1 33 . 1 1 15 15 ASN N N 15 118.834 118.834 115.698 3.136 18226 11210 1 33 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.562 0.100 18226 11211 1 33 . 1 1 15 15 ASN C C 15 175.258 175.258 175.797 -0.539 18226 11212 1 33 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.944 -0.429 18226 11213 1 33 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.015 0.742 18226 11214 1 33 . 1 1 15 15 ASN H H 15 8.221 8.221 8.234 -0.013 18226 11215 1 33 . 1 1 16 16 GLN N N 16 120.413 120.413 117.690 2.723 18226 11216 1 33 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.445 -0.090 18226 11217 1 33 . 1 1 16 16 GLN C C 16 176.096 176.096 175.334 0.762 18226 11218 1 33 . 1 1 16 16 GLN CA C 16 56.240 56.240 56.136 0.104 18226 11219 1 33 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.369 1.001 18226 11220 1 33 . 1 1 16 16 GLN H H 16 8.295 8.295 8.489 -0.194 18226 11221 1 33 . 1 1 17 17 SER N N 17 116.692 116.692 110.771 5.921 18226 11222 1 33 . 1 1 17 17 SER HA H 17 4.428 4.428 4.318 0.110 18226 11223 1 33 . 1 1 17 17 SER C C 17 174.523 174.523 174.554 -0.031 18226 11224 1 33 . 1 1 17 17 SER CA C 17 58.683 58.683 58.170 0.513 18226 11225 1 33 . 1 1 17 17 SER CB C 17 63.794 63.794 63.870 -0.076 18226 11226 1 33 . 1 1 17 17 SER H H 17 8.267 8.267 7.543 0.724 18226 11227 1 33 . 1 1 18 18 GLU N N 18 122.142 122.142 120.596 1.546 18226 11228 1 33 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.139 0.224 18226 11229 1 33 . 1 1 18 18 GLU C C 18 175.937 175.937 175.460 0.477 18226 11230 1 33 . 1 1 18 18 GLU CA C 18 56.305 56.305 58.175 -1.870 18226 11231 1 33 . 1 1 18 18 GLU CB C 18 29.506 29.506 28.644 0.862 18226 11232 1 33 . 1 1 18 18 GLU H H 18 8.330 8.330 8.720 -0.390 18226 11233 1 33 . 1 1 19 19 CYS N N 19 120.077 120.077 117.328 2.749 18226 11234 1 33 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.628 -0.196 18226 11235 1 33 . 1 1 19 19 CYS C C 19 174.442 174.442 174.092 0.350 18226 11236 1 33 . 1 1 19 19 CYS CA C 19 58.613 58.613 58.227 0.386 18226 11237 1 33 . 1 1 19 19 CYS CB C 19 27.999 27.999 28.649 -0.650 18226 11238 1 33 . 1 1 19 19 CYS H H 19 8.276 8.276 7.751 0.525 18226 11239 1 33 . 1 1 20 20 GLU N N 20 123.369 123.369 120.569 2.800 18226 11240 1 33 . 1 1 20 20 GLU HA H 20 4.303 4.303 3.972 0.331 18226 11241 1 33 . 1 1 20 20 GLU C C 20 175.858 175.858 175.545 0.313 18226 11242 1 33 . 1 1 20 20 GLU CA C 20 56.457 56.457 57.791 -1.333 18226 11243 1 33 . 1 1 20 20 GLU CB C 20 29.150 29.150 27.921 1.229 18226 11244 1 33 . 1 1 20 20 GLU H H 20 8.400 8.400 8.721 -0.321 18226 11245 1 33 . 1 1 21 21 TYR N N 21 119.980 119.980 115.136 4.844 18226 11246 1 33 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.222 0.322 18226 11247 1 33 . 1 1 21 21 TYR C C 21 175.669 175.669 174.473 1.196 18226 11248 1 33 . 1 1 21 21 TYR CA C 21 58.103 58.103 58.576 -0.473 18226 11249 1 33 . 1 1 21 21 TYR CB C 21 38.677 38.677 36.736 1.941 18226 11250 1 33 . 1 1 21 21 TYR H H 21 7.991 7.991 7.913 0.078 18226 11251 1 33 . 1 1 22 22 THR N N 22 113.984 113.984 106.135 7.849 18226 11252 1 33 . 1 1 22 22 THR HA H 22 4.164 4.164 4.009 0.155 18226 11253 1 33 . 1 1 22 22 THR C C 22 174.259 174.259 173.967 0.292 18226 11254 1 33 . 1 1 22 22 THR CA C 22 62.381 62.381 63.494 -1.113 18226 11255 1 33 . 1 1 22 22 THR CB C 22 69.551 69.551 67.783 1.768 18226 11256 1 33 . 1 1 22 22 THR H H 22 7.821 7.821 8.330 -0.509 18226 11257 1 33 . 1 1 23 23 ASP N N 23 121.930 121.930 119.834 2.096 18226 11258 1 33 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.742 -0.071 18226 11259 1 33 . 1 1 23 23 ASP C C 23 176.164 176.164 177.774 -1.610 18226 11260 1 33 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.763 -1.082 18226 11261 1 33 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.064 -1.458 18226 11262 1 33 . 1 1 23 23 ASP H H 23 8.106 8.106 7.871 0.235 18226 11263 1 33 . 1 1 24 24 TRP N N 24 121.947 121.947 119.982 1.965 18226 11264 1 33 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.712 -0.230 18226 11265 1 33 . 1 1 24 24 TRP C C 24 176.496 176.496 175.428 1.068 18226 11266 1 33 . 1 1 24 24 TRP CA C 24 58.238 58.238 58.811 -0.573 18226 11267 1 33 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.826 0.363 18226 11268 1 33 . 1 1 24 24 TRP H H 24 7.991 7.991 8.002 -0.011 18226 11269 1 33 . 1 1 25 25 LYS N N 25 119.673 119.673 114.686 4.987 18226 11270 1 33 . 1 1 25 25 LYS HA H 25 3.989 3.989 3.876 0.113 18226 11271 1 33 . 1 1 25 25 LYS C C 25 176.770 176.770 175.107 1.663 18226 11272 1 33 . 1 1 25 25 LYS CA C 25 57.467 57.467 54.278 3.189 18226 11273 1 33 . 1 1 25 25 LYS CB C 25 31.953 31.953 30.711 1.242 18226 11274 1 33 . 1 1 25 25 LYS H H 25 7.588 7.588 6.820 0.768 18226 11275 1 33 . 1 1 26 26 SER N N 26 114.157 114.157 115.608 -1.451 18226 11276 1 33 . 1 1 26 26 SER HA H 26 4.462 4.462 4.120 0.342 18226 11277 1 33 . 1 1 26 26 SER C C 26 175.126 175.126 174.590 0.536 18226 11278 1 33 . 1 1 26 26 SER CA C 26 58.673 58.673 59.270 -0.597 18226 11279 1 33 . 1 1 26 26 SER CB C 26 63.801 63.801 62.641 1.160 18226 11280 1 33 . 1 1 26 26 SER H H 26 7.823 7.823 7.400 0.423 18226 11281 1 33 . 1 1 27 27 SER N N 27 117.353 117.353 120.454 -3.101 18226 11282 1 33 . 1 1 27 27 SER HA H 27 4.288 4.288 4.461 -0.173 18226 11283 1 33 . 1 1 27 27 SER C C 27 175.598 175.598 174.997 0.601 18226 11284 1 33 . 1 1 27 27 SER CA C 27 60.216 60.216 59.278 0.938 18226 11285 1 33 . 1 1 27 27 SER CB C 27 63.684 63.684 63.658 0.026 18226 11286 1 33 . 1 1 27 27 SER H H 27 8.178 8.178 8.236 -0.058 18226 11287 1 33 . 1 1 28 28 GLY N N 28 110.249 110.249 109.772 0.477 18226 11288 1 33 . 1 1 28 28 GLY C C 28 174.667 174.667 174.235 0.432 18226 11289 1 33 . 1 1 28 28 GLY CA C 28 46.276 46.276 46.195 0.081 18226 11290 1 33 . 1 1 28 28 GLY H H 28 8.359 8.359 8.315 0.044 18226 11291 1 33 . 1 1 29 29 ALA N N 29 121.959 121.959 121.476 0.483 18226 11292 1 33 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.525 -0.197 18226 11293 1 33 . 1 1 29 29 ALA C C 29 177.873 177.873 176.832 1.041 18226 11294 1 33 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.321 0.940 18226 11295 1 33 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.173 0.464 18226 11296 1 33 . 1 1 29 29 ALA H H 29 7.931 7.931 7.761 0.170 18226 11297 1 33 . 1 1 30 30 LEU N N 30 117.460 117.460 112.742 4.718 18226 11298 1 33 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.720 -0.512 18226 11299 1 33 . 1 1 30 30 LEU CA C 30 57.392 57.392 56.008 1.384 18226 11300 1 33 . 1 1 30 30 LEU CB C 30 42.605 42.605 43.257 -0.652 18226 11301 1 33 . 1 1 30 30 LEU H H 30 7.924 7.924 7.639 0.285 18226 11302 1 33 . 1 1 31 31 ILE N N 31 117.379 117.379 122.916 -5.537 18226 11303 1 33 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.081 -0.158 18226 11304 1 33 . 1 1 31 31 ILE CA C 31 66.011 66.011 65.230 0.781 18226 11305 1 33 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.082 -0.859 18226 11306 1 33 . 1 1 31 31 ILE H H 31 8.100 8.100 8.146 -0.046 18226 11307 1 33 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.501 -0.183 18226 11308 1 33 . 1 1 32 32 PRO C C 32 178.706 178.706 175.688 3.018 18226 11309 1 33 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.252 2.779 18226 11310 1 33 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.363 0.904 18226 11311 1 33 . 1 1 33 33 ALA N N 33 119.040 119.040 121.658 -2.618 18226 11312 1 33 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.407 -0.212 18226 11313 1 33 . 1 1 33 33 ALA C C 33 179.052 179.052 178.813 0.239 18226 11314 1 33 . 1 1 33 33 ALA CA C 33 55.393 55.393 53.845 1.548 18226 11315 1 33 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.182 -1.651 18226 11316 1 33 . 1 1 33 33 ALA H H 33 7.462 7.462 7.591 -0.129 18226 11317 1 33 . 1 1 34 34 ILE N N 34 118.037 118.037 117.735 0.302 18226 11318 1 33 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.125 -0.403 18226 11319 1 33 . 1 1 34 34 ILE C C 34 177.827 177.827 177.316 0.511 18226 11320 1 33 . 1 1 34 34 ILE CA C 34 65.023 65.023 61.651 3.372 18226 11321 1 33 . 1 1 34 34 ILE CB C 34 37.341 37.341 37.125 0.216 18226 11322 1 33 . 1 1 34 34 ILE H H 34 8.176 8.176 7.514 0.662 18226 11323 1 33 . 1 1 35 35 TYR N N 35 118.783 118.783 118.686 0.097 18226 11324 1 33 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.373 -0.228 18226 11325 1 33 . 1 1 35 35 TYR C C 35 178.062 178.062 176.216 1.846 18226 11326 1 33 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.454 1.094 18226 11327 1 33 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.936 -0.194 18226 11328 1 33 . 1 1 35 35 TYR H H 35 8.306 8.306 7.788 0.518 18226 11329 1 33 . 1 1 36 36 MET N N 36 118.068 118.068 115.890 2.178 18226 11330 1 33 . 1 1 36 36 MET HA H 36 4.317 4.317 4.666 -0.349 18226 11331 1 33 . 1 1 36 36 MET C C 36 178.183 178.183 177.156 1.027 18226 11332 1 33 . 1 1 36 36 MET CA C 36 58.533 58.533 55.464 3.069 18226 11333 1 33 . 1 1 36 36 MET CB C 36 32.288 32.288 33.060 -0.772 18226 11334 1 33 . 1 1 36 36 MET H H 36 8.090 8.090 7.599 0.491 18226 11335 1 33 . 1 1 37 37 LEU N N 37 120.316 120.316 119.615 0.701 18226 11336 1 33 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.205 -0.090 18226 11337 1 33 . 1 1 37 37 LEU C C 37 178.353 178.353 177.351 1.002 18226 11338 1 33 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.869 1.461 18226 11339 1 33 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.028 0.886 18226 11340 1 33 . 1 1 37 37 LEU H H 37 8.106 8.106 7.847 0.259 18226 11341 1 33 . 1 1 38 38 VAL N N 38 118.385 118.385 117.014 1.371 18226 11342 1 33 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.047 -0.518 18226 11343 1 33 . 1 1 38 38 VAL C C 38 178.216 178.216 176.855 1.361 18226 11344 1 33 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.647 3.395 18226 11345 1 33 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.398 -0.773 18226 11346 1 33 . 1 1 38 38 VAL H H 38 8.305 8.305 7.270 1.035 18226 11347 1 33 . 1 1 39 39 PHE N N 39 120.216 120.216 122.318 -2.102 18226 11348 1 33 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.262 -0.001 18226 11349 1 33 . 1 1 39 39 PHE C C 39 178.597 178.597 175.968 2.629 18226 11350 1 33 . 1 1 39 39 PHE CA C 39 61.320 61.320 61.695 -0.375 18226 11351 1 33 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.712 -0.823 18226 11352 1 33 . 1 1 39 39 PHE H H 39 8.196 8.196 8.141 0.055 18226 11353 1 33 . 1 1 40 40 LEU N N 40 120.772 120.772 118.838 1.934 18226 11354 1 33 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.477 -0.427 18226 11355 1 33 . 1 1 40 40 LEU C C 40 179.666 179.666 175.745 3.921 18226 11356 1 33 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.669 3.237 18226 11357 1 33 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.127 1.213 18226 11358 1 33 . 1 1 40 40 LEU H H 40 8.452 8.452 7.732 0.720 18226 11359 1 33 . 1 1 41 41 LEU N N 41 119.185 119.185 120.021 -0.836 18226 11360 1 33 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.500 -0.401 18226 11361 1 33 . 1 1 41 41 LEU C C 41 178.878 178.878 177.917 0.961 18226 11362 1 33 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.363 2.023 18226 11363 1 33 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.901 -2.046 18226 11364 1 33 . 1 1 41 41 LEU H H 41 8.435 8.435 7.271 1.164 18226 11365 1 33 . 1 1 42 42 GLY N N 42 105.718 105.718 106.364 -0.646 18226 11366 1 33 . 1 1 42 42 GLY C C 42 174.908 174.908 174.689 0.219 18226 11367 1 33 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.533 0.109 18226 11368 1 33 . 1 1 42 42 GLY H H 42 8.208 8.208 7.910 0.298 18226 11369 1 33 . 1 1 43 43 THR N N 43 111.959 111.959 112.568 -0.609 18226 11370 1 33 . 1 1 43 43 THR HA H 43 4.348 4.348 4.352 -0.004 18226 11371 1 33 . 1 1 43 43 THR C C 43 175.665 175.665 174.378 1.287 18226 11372 1 33 . 1 1 43 43 THR CA C 43 63.097 63.097 62.594 0.503 18226 11373 1 33 . 1 1 43 43 THR CB C 43 69.867 69.867 70.051 -0.184 18226 11374 1 33 . 1 1 43 43 THR H H 43 7.789 7.789 7.540 0.249 18226 11375 1 33 . 1 1 44 44 THR N N 44 113.271 113.271 115.509 -2.238 18226 11376 1 33 . 1 1 44 44 THR HA H 44 4.308 4.308 3.910 0.398 18226 11377 1 33 . 1 1 44 44 THR C C 44 175.754 175.754 175.679 0.075 18226 11378 1 33 . 1 1 44 44 THR CA C 44 63.194 63.194 63.612 -0.418 18226 11379 1 33 . 1 1 44 44 THR CB C 44 70.171 70.171 67.715 2.456 18226 11380 1 33 . 1 1 44 44 THR H H 44 7.833 7.833 8.285 -0.452 18226 11381 1 33 . 1 1 45 45 GLY N N 45 109.879 109.879 108.539 1.340 18226 11382 1 33 . 1 1 45 45 GLY C C 45 175.221 175.221 175.092 0.129 18226 11383 1 33 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.516 1.024 18226 11384 1 33 . 1 1 45 45 GLY H H 45 8.259 8.259 8.374 -0.115 18226 11385 1 33 . 1 1 46 46 ASN N N 46 117.998 117.998 119.259 -1.261 18226 11386 1 33 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.801 -0.189 18226 11387 1 33 . 1 1 46 46 ASN C C 46 176.215 176.215 175.809 0.406 18226 11388 1 33 . 1 1 46 46 ASN CA C 46 54.840 54.840 54.424 0.416 18226 11389 1 33 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.962 -0.396 18226 11390 1 33 . 1 1 46 46 ASN H H 46 8.235 8.235 8.656 -0.421 18226 11391 1 33 . 1 1 47 47 GLY N N 47 106.990 106.990 107.478 -0.488 18226 11392 1 33 . 1 1 47 47 GLY C C 47 174.659 174.659 174.298 0.361 18226 11393 1 33 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.722 1.257 18226 11394 1 33 . 1 1 47 47 GLY H H 47 8.425 8.425 7.566 0.859 18226 11395 1 33 . 1 1 48 48 LEU N N 48 120.699 120.699 120.014 0.685 18226 11396 1 33 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.799 -0.499 18226 11397 1 33 . 1 1 48 48 LEU C C 48 179.482 179.482 176.531 2.951 18226 11398 1 33 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.444 2.001 18226 11399 1 33 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.023 -0.457 18226 11400 1 33 . 1 1 48 48 LEU H H 48 7.956 7.956 7.995 -0.040 18226 11401 1 33 . 1 1 49 49 VAL N N 49 120.101 120.101 116.780 3.321 18226 11402 1 33 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.103 -0.224 18226 11403 1 33 . 1 1 49 49 VAL C C 49 177.535 177.535 176.117 1.418 18226 11404 1 33 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.628 2.234 18226 11405 1 33 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.912 -1.133 18226 11406 1 33 . 1 1 49 49 VAL H H 49 7.919 7.919 7.710 0.209 18226 11407 1 33 . 1 1 50 50 LEU N N 50 119.268 119.268 119.695 -0.427 18226 11408 1 33 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.438 -0.395 18226 11409 1 33 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.570 1.275 18226 11410 1 33 . 1 1 50 50 LEU CB C 50 41.877 41.877 43.405 -1.528 18226 11411 1 33 . 1 1 50 50 LEU H H 50 7.731 7.731 7.433 0.298 18226 11412 1 33 . 1 1 51 51 TRP N N 51 118.033 118.033 121.502 -3.469 18226 11413 1 33 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.321 0.271 18226 11414 1 33 . 1 1 51 51 TRP C C 51 177.302 177.302 176.622 0.680 18226 11415 1 33 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.953 -0.163 18226 11416 1 33 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.246 0.961 18226 11417 1 33 . 1 1 51 51 TRP H H 51 8.070 8.070 7.580 0.490 18226 11418 1 33 . 1 1 52 52 THR N N 52 113.014 113.014 112.191 0.823 18226 11419 1 33 . 1 1 52 52 THR HA H 52 3.746 3.746 4.205 -0.459 18226 11420 1 33 . 1 1 52 52 THR C C 52 176.361 176.361 174.595 1.766 18226 11421 1 33 . 1 1 52 52 THR CA C 52 66.443 66.443 62.714 3.729 18226 11422 1 33 . 1 1 52 52 THR CB C 52 69.017 69.017 68.296 0.721 18226 11423 1 33 . 1 1 52 52 THR H H 52 8.101 8.101 7.776 0.325 18226 11424 1 33 . 1 1 53 53 VAL N N 53 120.231 120.231 120.538 -0.307 18226 11425 1 33 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.767 -0.089 18226 11426 1 33 . 1 1 53 53 VAL C C 53 177.482 177.482 176.611 0.871 18226 11427 1 33 . 1 1 53 53 VAL CA C 53 66.158 66.158 63.652 2.506 18226 11428 1 33 . 1 1 53 53 VAL CB C 53 31.767 31.767 32.454 -0.687 18226 11429 1 33 . 1 1 53 53 VAL H H 53 7.905 7.905 7.476 0.429 18226 11430 1 33 . 1 1 54 54 PHE N N 54 118.609 118.609 119.802 -1.193 18226 11431 1 33 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.284 -0.051 18226 11432 1 33 . 1 1 54 54 PHE CA C 54 60.666 60.666 59.158 1.508 18226 11433 1 33 . 1 1 54 54 PHE CB C 54 39.258 39.258 37.208 2.050 18226 11434 1 33 . 1 1 54 54 PHE H H 54 8.025 8.025 8.082 -0.057 18226 11435 1 33 . 1 1 55 55 ARG N N 55 117.305 117.305 119.461 -2.156 18226 11436 1 33 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.142 -0.334 18226 11437 1 33 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.093 0.617 18226 11438 1 33 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.034 -1.371 18226 11439 1 33 . 1 1 55 55 ARG H H 55 8.025 8.025 7.640 0.385 18226 11440 1 33 . 1 1 56 56 LYS N N 56 118.321 118.321 119.707 -1.386 18226 11441 1 33 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.200 -0.030 18226 11442 1 33 . 1 1 56 56 LYS CA C 56 57.440 57.440 57.630 -0.190 18226 11443 1 33 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.825 1.104 18226 11444 1 33 . 1 1 56 56 LYS H H 56 7.717 7.717 8.383 -0.666 18226 11445 1 33 . 1 1 57 57 LYS N N 57 118.349 118.349 116.647 1.702 18226 11446 1 33 . 1 1 57 57 LYS HA H 57 4.289 4.289 3.946 0.343 18226 11447 1 33 . 1 1 57 57 LYS C C 57 176.891 176.891 176.566 0.325 18226 11448 1 33 . 1 1 57 57 LYS CA C 57 56.373 56.373 56.395 -0.022 18226 11449 1 33 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.131 0.733 18226 11450 1 33 . 1 1 57 57 LYS H H 57 7.872 7.872 7.322 0.550 18226 11451 1 33 . 1 1 58 58 GLY N N 58 107.442 107.442 106.985 0.457 18226 11452 1 33 . 1 1 58 58 GLY C C 58 173.263 173.263 173.951 -0.688 18226 11453 1 33 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.791 0.766 18226 11454 1 33 . 1 1 58 58 GLY H H 58 8.060 8.060 7.193 0.867 18226 11455 1 33 . 1 1 59 59 HIS N N 59 116.928 116.928 120.839 -3.911 18226 11456 1 33 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.215 0.453 18226 11457 1 33 . 1 1 59 59 HIS C C 59 173.935 173.935 175.719 -1.784 18226 11458 1 33 . 1 1 59 59 HIS CA C 59 55.085 55.085 59.244 -4.159 18226 11459 1 33 . 1 1 59 59 HIS CB C 59 29.223 29.223 30.138 -0.915 18226 11460 1 33 . 1 1 59 59 HIS H H 59 8.076 8.076 8.784 -0.708 18226 11461 1 33 . 1 1 60 60 HIS N N 60 119.187 119.187 115.498 3.689 18226 11462 1 33 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.601 0.070 18226 11463 1 33 . 1 1 60 60 HIS C C 60 173.926 173.926 174.657 -0.731 18226 11464 1 33 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.730 -1.302 18226 11465 1 33 . 1 1 60 60 HIS CB C 60 29.157 29.157 31.891 -2.734 18226 11466 1 33 . 1 1 60 60 HIS H H 60 8.547 8.547 8.031 0.516 18226 11467 1 33 . 1 1 61 61 HIS N N 61 120.017 120.017 117.154 2.863 18226 11468 1 33 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.507 0.160 18226 11469 1 33 . 1 1 61 61 HIS C C 61 173.994 173.994 173.667 0.327 18226 11470 1 33 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.940 -0.507 18226 11471 1 33 . 1 1 61 61 HIS CB C 61 29.201 29.201 29.811 -0.610 18226 11472 1 33 . 1 1 61 61 HIS H H 61 8.662 8.662 8.170 0.492 18226 11473 1 33 . 1 1 62 62 HIS N N 62 120.463 120.463 124.335 -3.872 18226 11474 1 33 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.809 -0.152 18226 11475 1 33 . 1 1 62 62 HIS C C 62 173.939 173.939 173.848 0.091 18226 11476 1 33 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.265 0.111 18226 11477 1 33 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.605 -1.314 18226 11478 1 33 . 1 1 62 62 HIS H H 62 8.729 8.729 8.450 0.279 18226 11479 1 33 . 1 1 63 63 HIS N N 63 120.370 120.370 117.976 2.394 18226 11480 1 33 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.660 -0.002 18226 11481 1 33 . 1 1 63 63 HIS C C 63 173.564 173.564 174.919 -1.355 18226 11482 1 33 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.869 -0.261 18226 11483 1 33 . 1 1 63 63 HIS CB C 63 29.365 29.365 30.253 -0.888 18226 11484 1 33 . 1 1 63 63 HIS H H 63 8.619 8.619 8.748 -0.129 18226 11485 1 34 . 1 1 2 2 GLU N N 2 123.545 123.545 119.914 3.631 18226 11486 1 34 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.044 0.342 18226 11487 1 34 . 1 1 2 2 GLU C C 2 175.742 175.742 175.562 0.180 18226 11488 1 34 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.738 -0.375 18226 11489 1 34 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.935 -0.180 18226 11490 1 34 . 1 1 2 2 GLU H H 2 8.765 8.765 8.426 0.339 18226 11491 1 34 . 1 1 3 3 GLU N N 3 122.227 122.227 123.978 -1.751 18226 11492 1 34 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.398 -0.065 18226 11493 1 34 . 1 1 3 3 GLU C C 3 176.636 176.636 176.894 -0.258 18226 11494 1 34 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.848 -0.360 18226 11495 1 34 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.336 -0.579 18226 11496 1 34 . 1 1 3 3 GLU H H 3 8.550 8.550 8.717 -0.167 18226 11497 1 34 . 1 1 4 4 GLY N N 4 110.108 110.108 108.195 1.913 18226 11498 1 34 . 1 1 4 4 GLY C C 4 174.548 174.548 174.034 0.514 18226 11499 1 34 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.880 0.595 18226 11500 1 34 . 1 1 4 4 GLY H H 4 8.453 8.453 8.040 0.412 18226 11501 1 34 . 1 1 5 5 GLY N N 5 108.466 108.466 108.763 -0.297 18226 11502 1 34 . 1 1 5 5 GLY C C 5 173.790 173.790 173.090 0.700 18226 11503 1 34 . 1 1 5 5 GLY CA C 5 45.364 45.364 44.821 0.543 18226 11504 1 34 . 1 1 5 5 GLY H H 5 8.168 8.168 7.887 0.281 18226 11505 1 34 . 1 1 6 6 ASP N N 6 119.764 119.764 118.378 1.386 18226 11506 1 34 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.675 -0.092 18226 11507 1 34 . 1 1 6 6 ASP C C 6 175.811 175.811 175.792 0.019 18226 11508 1 34 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.480 -0.488 18226 11509 1 34 . 1 1 6 6 ASP CB C 6 40.257 40.257 42.963 -2.706 18226 11510 1 34 . 1 1 6 6 ASP H H 6 8.187 8.187 8.238 -0.051 18226 11511 1 34 . 1 1 7 7 PHE N N 7 119.941 119.941 118.772 1.169 18226 11512 1 34 . 1 1 7 7 PHE HA H 7 4.566 4.566 5.083 -0.517 18226 11513 1 34 . 1 1 7 7 PHE C C 7 175.636 175.636 173.605 2.031 18226 11514 1 34 . 1 1 7 7 PHE CA C 7 58.071 58.071 56.997 1.074 18226 11515 1 34 . 1 1 7 7 PHE CB C 7 39.319 39.319 39.646 -0.327 18226 11516 1 34 . 1 1 7 7 PHE H H 7 8.103 8.103 7.132 0.971 18226 11517 1 34 . 1 1 8 8 ASP N N 8 120.418 120.418 119.077 1.341 18226 11518 1 34 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.475 0.062 18226 11519 1 34 . 1 1 8 8 ASP C C 8 175.548 175.548 174.396 1.152 18226 11520 1 34 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.475 -0.102 18226 11521 1 34 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.905 -0.519 18226 11522 1 34 . 1 1 8 8 ASP H H 8 8.177 8.177 7.807 0.370 18226 11523 1 34 . 1 1 9 9 ASN N N 9 118.260 118.260 118.659 -0.399 18226 11524 1 34 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.494 0.093 18226 11525 1 34 . 1 1 9 9 ASN C C 9 174.782 174.782 174.054 0.728 18226 11526 1 34 . 1 1 9 9 ASN CA C 9 53.397 53.397 52.723 0.674 18226 11527 1 34 . 1 1 9 9 ASN CB C 9 38.762 38.762 38.402 0.360 18226 11528 1 34 . 1 1 9 9 ASN H H 9 8.057 8.057 7.729 0.328 18226 11529 1 34 . 1 1 10 10 TYR N N 10 120.145 120.145 113.357 6.788 18226 11530 1 34 . 1 1 10 10 TYR HA H 10 4.439 4.439 3.892 0.547 18226 11531 1 34 . 1 1 10 10 TYR C C 10 175.520 175.520 175.108 0.412 18226 11532 1 34 . 1 1 10 10 TYR CA C 10 58.369 58.369 57.586 0.783 18226 11533 1 34 . 1 1 10 10 TYR CB C 10 38.749 38.749 35.599 3.151 18226 11534 1 34 . 1 1 10 10 TYR H H 10 7.951 7.951 7.720 0.231 18226 11535 1 34 . 1 1 11 11 TYR N N 11 121.223 121.223 117.662 3.561 18226 11536 1 34 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.180 0.319 18226 11537 1 34 . 1 1 11 11 TYR C C 11 175.974 175.974 177.113 -1.139 18226 11538 1 34 . 1 1 11 11 TYR CA C 11 58.073 58.073 56.396 1.677 18226 11539 1 34 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.986 2.685 18226 11540 1 34 . 1 1 11 11 TYR H H 11 7.971 7.971 6.932 1.039 18226 11541 1 34 . 1 1 12 12 GLY N N 12 109.861 109.861 110.452 -0.591 18226 11542 1 34 . 1 1 12 12 GLY C C 12 173.775 173.775 173.744 0.031 18226 11543 1 34 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.144 0.236 18226 11544 1 34 . 1 1 12 12 GLY H H 12 7.769 7.769 8.366 -0.597 18226 11545 1 34 . 1 1 13 13 ALA N N 13 123.378 123.378 122.644 0.734 18226 11546 1 34 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.525 -0.223 18226 11547 1 34 . 1 1 13 13 ALA C C 13 177.509 177.509 174.786 2.723 18226 11548 1 34 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.362 0.265 18226 11549 1 34 . 1 1 13 13 ALA CB C 13 19.444 19.444 20.963 -1.519 18226 11550 1 34 . 1 1 13 13 ALA H H 13 7.975 7.975 7.941 0.034 18226 11551 1 34 . 1 1 14 14 ASP N N 14 118.494 118.494 118.356 0.138 18226 11552 1 34 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.784 -0.150 18226 11553 1 34 . 1 1 14 14 ASP C C 14 175.747 175.747 173.950 1.797 18226 11554 1 34 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.226 -0.224 18226 11555 1 34 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.910 -0.748 18226 11556 1 34 . 1 1 14 14 ASP H H 14 8.307 8.307 8.482 -0.175 18226 11557 1 34 . 1 1 15 15 ASN N N 15 118.834 118.834 118.406 0.428 18226 11558 1 34 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.634 0.028 18226 11559 1 34 . 1 1 15 15 ASN C C 15 175.258 175.258 173.936 1.322 18226 11560 1 34 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.363 0.152 18226 11561 1 34 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.948 -0.191 18226 11562 1 34 . 1 1 15 15 ASN H H 15 8.221 8.221 7.810 0.411 18226 11563 1 34 . 1 1 16 16 GLN N N 16 120.413 120.413 119.378 1.035 18226 11564 1 34 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.133 0.222 18226 11565 1 34 . 1 1 16 16 GLN C C 16 176.096 176.096 174.494 1.602 18226 11566 1 34 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.077 -0.837 18226 11567 1 34 . 1 1 16 16 GLN CB C 16 29.370 29.370 27.254 2.116 18226 11568 1 34 . 1 1 16 16 GLN H H 16 8.295 8.295 8.370 -0.075 18226 11569 1 34 . 1 1 17 17 SER N N 17 116.692 116.692 112.201 4.491 18226 11570 1 34 . 1 1 17 17 SER HA H 17 4.428 4.428 4.206 0.222 18226 11571 1 34 . 1 1 17 17 SER C C 17 174.523 174.523 173.496 1.027 18226 11572 1 34 . 1 1 17 17 SER CA C 17 58.683 58.683 58.708 -0.025 18226 11573 1 34 . 1 1 17 17 SER CB C 17 63.794 63.794 63.150 0.644 18226 11574 1 34 . 1 1 17 17 SER H H 17 8.267 8.267 8.347 -0.080 18226 11575 1 34 . 1 1 18 18 GLU N N 18 122.142 122.142 119.165 2.977 18226 11576 1 34 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.280 0.083 18226 11577 1 34 . 1 1 18 18 GLU C C 18 175.937 175.937 176.344 -0.407 18226 11578 1 34 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.461 -1.155 18226 11579 1 34 . 1 1 18 18 GLU CB C 18 29.506 29.506 31.181 -1.675 18226 11580 1 34 . 1 1 18 18 GLU H H 18 8.330 8.330 8.128 0.202 18226 11581 1 34 . 1 1 19 19 CYS N N 19 120.077 120.077 119.868 0.209 18226 11582 1 34 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.813 -0.381 18226 11583 1 34 . 1 1 19 19 CYS C C 19 174.442 174.442 173.416 1.026 18226 11584 1 34 . 1 1 19 19 CYS CA C 19 58.613 58.613 58.799 -0.186 18226 11585 1 34 . 1 1 19 19 CYS CB C 19 27.999 27.999 29.178 -1.179 18226 11586 1 34 . 1 1 19 19 CYS H H 19 8.276 8.276 8.353 -0.077 18226 11587 1 34 . 1 1 20 20 GLU N N 20 123.369 123.369 119.457 3.912 18226 11588 1 34 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.523 -0.220 18226 11589 1 34 . 1 1 20 20 GLU C C 20 175.858 175.858 175.510 0.348 18226 11590 1 34 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.731 -0.274 18226 11591 1 34 . 1 1 20 20 GLU CB C 20 29.150 29.150 30.282 -1.132 18226 11592 1 34 . 1 1 20 20 GLU H H 20 8.400 8.400 8.511 -0.111 18226 11593 1 34 . 1 1 21 21 TYR N N 21 119.980 119.980 119.341 0.639 18226 11594 1 34 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.599 -0.055 18226 11595 1 34 . 1 1 21 21 TYR C C 21 175.669 175.669 176.193 -0.524 18226 11596 1 34 . 1 1 21 21 TYR CA C 21 58.103 58.103 59.927 -1.824 18226 11597 1 34 . 1 1 21 21 TYR CB C 21 38.677 38.677 39.356 -0.679 18226 11598 1 34 . 1 1 21 21 TYR H H 21 7.991 7.991 8.145 -0.154 18226 11599 1 34 . 1 1 22 22 THR N N 22 113.984 113.984 110.948 3.036 18226 11600 1 34 . 1 1 22 22 THR HA H 22 4.164 4.164 4.751 -0.587 18226 11601 1 34 . 1 1 22 22 THR C C 22 174.259 174.259 174.047 0.212 18226 11602 1 34 . 1 1 22 22 THR CA C 22 62.381 62.381 62.517 -0.136 18226 11603 1 34 . 1 1 22 22 THR CB C 22 69.551 69.551 70.097 -0.545 18226 11604 1 34 . 1 1 22 22 THR H H 22 7.821 7.821 8.055 -0.234 18226 11605 1 34 . 1 1 23 23 ASP N N 23 121.930 121.930 121.812 0.118 18226 11606 1 34 . 1 1 23 23 ASP HA H 23 4.671 4.671 5.001 -0.330 18226 11607 1 34 . 1 1 23 23 ASP C C 23 176.164 176.164 176.197 -0.033 18226 11608 1 34 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.288 -0.607 18226 11609 1 34 . 1 1 23 23 ASP CB C 23 39.606 39.606 42.409 -2.803 18226 11610 1 34 . 1 1 23 23 ASP H H 23 8.106 8.106 8.738 -0.632 18226 11611 1 34 . 1 1 24 24 TRP N N 24 121.947 121.947 118.225 3.722 18226 11612 1 34 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.690 -0.208 18226 11613 1 34 . 1 1 24 24 TRP C C 24 176.496 176.496 175.228 1.268 18226 11614 1 34 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.911 0.327 18226 11615 1 34 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.984 0.205 18226 11616 1 34 . 1 1 24 24 TRP H H 24 7.991 7.991 8.360 -0.369 18226 11617 1 34 . 1 1 25 25 LYS N N 25 119.673 119.673 115.687 3.986 18226 11618 1 34 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.279 -0.290 18226 11619 1 34 . 1 1 25 25 LYS C C 25 176.770 176.770 174.708 2.062 18226 11620 1 34 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.356 2.111 18226 11621 1 34 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.072 0.881 18226 11622 1 34 . 1 1 25 25 LYS H H 25 7.588 7.588 7.474 0.114 18226 11623 1 34 . 1 1 26 26 SER N N 26 114.157 114.157 114.795 -0.638 18226 11624 1 34 . 1 1 26 26 SER HA H 26 4.462 4.462 4.554 -0.092 18226 11625 1 34 . 1 1 26 26 SER C C 26 175.126 175.126 175.584 -0.458 18226 11626 1 34 . 1 1 26 26 SER CA C 26 58.673 58.673 58.350 0.323 18226 11627 1 34 . 1 1 26 26 SER CB C 26 63.801 63.801 64.184 -0.383 18226 11628 1 34 . 1 1 26 26 SER H H 26 7.823 7.823 7.575 0.248 18226 11629 1 34 . 1 1 27 27 SER N N 27 117.353 117.353 119.502 -2.149 18226 11630 1 34 . 1 1 27 27 SER HA H 27 4.288 4.288 4.345 -0.057 18226 11631 1 34 . 1 1 27 27 SER C C 27 175.598 175.598 174.306 1.292 18226 11632 1 34 . 1 1 27 27 SER CA C 27 60.216 60.216 60.224 -0.008 18226 11633 1 34 . 1 1 27 27 SER CB C 27 63.684 63.684 63.274 0.410 18226 11634 1 34 . 1 1 27 27 SER H H 27 8.178 8.178 8.222 -0.044 18226 11635 1 34 . 1 1 28 28 GLY N N 28 110.249 110.249 106.084 4.165 18226 11636 1 34 . 1 1 28 28 GLY C C 28 174.667 174.667 173.580 1.087 18226 11637 1 34 . 1 1 28 28 GLY CA C 28 46.276 46.276 44.874 1.402 18226 11638 1 34 . 1 1 28 28 GLY H H 28 8.359 8.359 7.856 0.503 18226 11639 1 34 . 1 1 29 29 ALA N N 29 121.959 121.959 122.352 -0.393 18226 11640 1 34 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.466 -0.138 18226 11641 1 34 . 1 1 29 29 ALA C C 29 177.873 177.873 177.062 0.811 18226 11642 1 34 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.604 -0.343 18226 11643 1 34 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.574 0.063 18226 11644 1 34 . 1 1 29 29 ALA H H 29 7.931 7.931 7.636 0.295 18226 11645 1 34 . 1 1 30 30 LEU N N 30 117.460 117.460 113.193 4.267 18226 11646 1 34 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.468 -0.260 18226 11647 1 34 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.499 1.893 18226 11648 1 34 . 1 1 30 30 LEU CB C 30 42.605 42.605 41.884 0.721 18226 11649 1 34 . 1 1 30 30 LEU H H 30 7.924 7.924 7.592 0.332 18226 11650 1 34 . 1 1 31 31 ILE N N 31 117.379 117.379 122.536 -5.157 18226 11651 1 34 . 1 1 31 31 ILE HA H 31 3.923 3.923 3.959 -0.036 18226 11652 1 34 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.885 2.126 18226 11653 1 34 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.862 -0.639 18226 11654 1 34 . 1 1 31 31 ILE H H 31 8.100 8.100 8.125 -0.025 18226 11655 1 34 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.548 -0.230 18226 11656 1 34 . 1 1 32 32 PRO C C 32 178.706 178.706 176.198 2.508 18226 11657 1 34 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.693 2.338 18226 11658 1 34 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.854 0.413 18226 11659 1 34 . 1 1 33 33 ALA N N 33 119.040 119.040 121.160 -2.120 18226 11660 1 34 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.346 -0.151 18226 11661 1 34 . 1 1 33 33 ALA C C 33 179.052 179.052 177.408 1.644 18226 11662 1 34 . 1 1 33 33 ALA CA C 33 55.393 55.393 53.210 2.183 18226 11663 1 34 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.498 -0.968 18226 11664 1 34 . 1 1 33 33 ALA H H 33 7.462 7.462 7.759 -0.297 18226 11665 1 34 . 1 1 34 34 ILE N N 34 118.037 118.037 113.618 4.419 18226 11666 1 34 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.289 -0.567 18226 11667 1 34 . 1 1 34 34 ILE C C 34 177.827 177.827 177.578 0.249 18226 11668 1 34 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.156 2.867 18226 11669 1 34 . 1 1 34 34 ILE CB C 34 37.341 37.341 38.925 -1.584 18226 11670 1 34 . 1 1 34 34 ILE H H 34 8.176 8.176 7.410 0.766 18226 11671 1 34 . 1 1 35 35 TYR N N 35 118.783 118.783 121.427 -2.644 18226 11672 1 34 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.144 0.001 18226 11673 1 34 . 1 1 35 35 TYR C C 35 178.062 178.062 178.047 0.015 18226 11674 1 34 . 1 1 35 35 TYR CA C 35 61.548 61.548 62.482 -0.934 18226 11675 1 34 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.789 -0.048 18226 11676 1 34 . 1 1 35 35 TYR H H 35 8.306 8.306 7.978 0.328 18226 11677 1 34 . 1 1 36 36 MET N N 36 118.068 118.068 115.644 2.424 18226 11678 1 34 . 1 1 36 36 MET HA H 36 4.317 4.317 4.350 -0.033 18226 11679 1 34 . 1 1 36 36 MET C C 36 178.183 178.183 177.735 0.448 18226 11680 1 34 . 1 1 36 36 MET CA C 36 58.533 58.533 57.468 1.065 18226 11681 1 34 . 1 1 36 36 MET CB C 36 32.288 32.288 31.768 0.519 18226 11682 1 34 . 1 1 36 36 MET H H 36 8.090 8.090 7.995 0.095 18226 11683 1 34 . 1 1 37 37 LEU N N 37 120.316 120.316 119.058 1.258 18226 11684 1 34 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.190 -0.075 18226 11685 1 34 . 1 1 37 37 LEU C C 37 178.353 178.353 177.249 1.104 18226 11686 1 34 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.282 2.049 18226 11687 1 34 . 1 1 37 37 LEU CB C 37 41.914 41.914 42.149 -0.235 18226 11688 1 34 . 1 1 37 37 LEU H H 37 8.106 8.106 8.488 -0.382 18226 11689 1 34 . 1 1 38 38 VAL N N 38 118.385 118.385 116.122 2.263 18226 11690 1 34 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.167 -0.638 18226 11691 1 34 . 1 1 38 38 VAL C C 38 178.216 178.216 177.188 1.028 18226 11692 1 34 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.408 3.634 18226 11693 1 34 . 1 1 38 38 VAL CB C 38 31.625 31.625 31.863 -0.239 18226 11694 1 34 . 1 1 38 38 VAL H H 38 8.305 8.305 7.423 0.882 18226 11695 1 34 . 1 1 39 39 PHE N N 39 120.216 120.216 123.180 -2.964 18226 11696 1 34 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.059 0.202 18226 11697 1 34 . 1 1 39 39 PHE C C 39 178.597 178.597 175.967 2.630 18226 11698 1 34 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.983 -1.663 18226 11699 1 34 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.515 -0.626 18226 11700 1 34 . 1 1 39 39 PHE H H 39 8.196 8.196 8.101 0.095 18226 11701 1 34 . 1 1 40 40 LEU N N 40 120.772 120.772 118.342 2.430 18226 11702 1 34 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.389 -0.339 18226 11703 1 34 . 1 1 40 40 LEU C C 40 179.666 179.666 175.627 4.039 18226 11704 1 34 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.617 3.289 18226 11705 1 34 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.087 1.253 18226 11706 1 34 . 1 1 40 40 LEU H H 40 8.452 8.452 7.634 0.818 18226 11707 1 34 . 1 1 41 41 LEU N N 41 119.185 119.185 121.282 -2.097 18226 11708 1 34 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.565 -0.466 18226 11709 1 34 . 1 1 41 41 LEU C C 41 178.878 178.878 176.895 1.983 18226 11710 1 34 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.261 1.125 18226 11711 1 34 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.410 -1.555 18226 11712 1 34 . 1 1 41 41 LEU H H 41 8.435 8.435 7.702 0.733 18226 11713 1 34 . 1 1 42 42 GLY N N 42 105.718 105.718 108.391 -2.673 18226 11714 1 34 . 1 1 42 42 GLY C C 42 174.908 174.908 173.761 1.147 18226 11715 1 34 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.596 0.045 18226 11716 1 34 . 1 1 42 42 GLY H H 42 8.208 8.208 8.180 0.028 18226 11717 1 34 . 1 1 43 43 THR N N 43 111.959 111.959 111.630 0.329 18226 11718 1 34 . 1 1 43 43 THR HA H 43 4.348 4.348 4.299 0.049 18226 11719 1 34 . 1 1 43 43 THR C C 43 175.665 175.665 174.069 1.596 18226 11720 1 34 . 1 1 43 43 THR CA C 43 63.097 63.097 62.156 0.941 18226 11721 1 34 . 1 1 43 43 THR CB C 43 69.867 69.867 69.419 0.448 18226 11722 1 34 . 1 1 43 43 THR H H 43 7.789 7.789 7.080 0.709 18226 11723 1 34 . 1 1 44 44 THR N N 44 113.271 113.271 114.533 -1.262 18226 11724 1 34 . 1 1 44 44 THR HA H 44 4.308 4.308 3.748 0.560 18226 11725 1 34 . 1 1 44 44 THR C C 44 175.754 175.754 175.292 0.462 18226 11726 1 34 . 1 1 44 44 THR CA C 44 63.194 63.194 63.416 -0.223 18226 11727 1 34 . 1 1 44 44 THR CB C 44 70.171 70.171 67.910 2.261 18226 11728 1 34 . 1 1 44 44 THR H H 44 7.833 7.833 8.329 -0.496 18226 11729 1 34 . 1 1 45 45 GLY N N 45 109.879 109.879 109.088 0.791 18226 11730 1 34 . 1 1 45 45 GLY C C 45 175.221 175.221 175.233 -0.012 18226 11731 1 34 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.359 1.180 18226 11732 1 34 . 1 1 45 45 GLY H H 45 8.259 8.259 7.627 0.632 18226 11733 1 34 . 1 1 46 46 ASN N N 46 117.998 117.998 123.163 -5.165 18226 11734 1 34 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.498 0.114 18226 11735 1 34 . 1 1 46 46 ASN C C 46 176.215 176.215 177.084 -0.869 18226 11736 1 34 . 1 1 46 46 ASN CA C 46 54.840 54.840 55.256 -0.416 18226 11737 1 34 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.388 0.178 18226 11738 1 34 . 1 1 46 46 ASN H H 46 8.235 8.235 8.288 -0.053 18226 11739 1 34 . 1 1 47 47 GLY N N 47 106.990 106.990 105.742 1.248 18226 11740 1 34 . 1 1 47 47 GLY C C 47 174.659 174.659 174.998 -0.339 18226 11741 1 34 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.890 1.089 18226 11742 1 34 . 1 1 47 47 GLY H H 47 8.425 8.425 8.152 0.273 18226 11743 1 34 . 1 1 48 48 LEU N N 48 120.699 120.699 120.768 -0.069 18226 11744 1 34 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.509 -0.209 18226 11745 1 34 . 1 1 48 48 LEU C C 48 179.482 179.482 176.961 2.521 18226 11746 1 34 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.177 2.268 18226 11747 1 34 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.043 -0.477 18226 11748 1 34 . 1 1 48 48 LEU H H 48 7.956 7.956 7.795 0.161 18226 11749 1 34 . 1 1 49 49 VAL N N 49 120.101 120.101 119.461 0.640 18226 11750 1 34 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.049 -0.170 18226 11751 1 34 . 1 1 49 49 VAL C C 49 177.535 177.535 177.496 0.039 18226 11752 1 34 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.930 0.932 18226 11753 1 34 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.616 -0.837 18226 11754 1 34 . 1 1 49 49 VAL H H 49 7.919 7.919 7.780 0.139 18226 11755 1 34 . 1 1 50 50 LEU N N 50 119.268 119.268 117.631 1.637 18226 11756 1 34 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.291 -0.248 18226 11757 1 34 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.176 0.669 18226 11758 1 34 . 1 1 50 50 LEU CB C 50 41.877 41.877 41.401 0.476 18226 11759 1 34 . 1 1 50 50 LEU H H 50 7.731 7.731 7.567 0.164 18226 11760 1 34 . 1 1 51 51 TRP N N 51 118.033 118.033 119.093 -1.060 18226 11761 1 34 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.537 0.055 18226 11762 1 34 . 1 1 51 51 TRP C C 51 177.302 177.302 176.121 1.181 18226 11763 1 34 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.234 0.555 18226 11764 1 34 . 1 1 51 51 TRP CB C 51 30.207 30.207 28.495 1.712 18226 11765 1 34 . 1 1 51 51 TRP H H 51 8.070 8.070 8.209 -0.139 18226 11766 1 34 . 1 1 52 52 THR N N 52 113.014 113.014 110.826 2.188 18226 11767 1 34 . 1 1 52 52 THR HA H 52 3.746 3.746 4.496 -0.750 18226 11768 1 34 . 1 1 52 52 THR C C 52 176.361 176.361 174.143 2.218 18226 11769 1 34 . 1 1 52 52 THR CA C 52 66.443 66.443 61.244 5.199 18226 11770 1 34 . 1 1 52 52 THR CB C 52 69.017 69.017 69.725 -0.709 18226 11771 1 34 . 1 1 52 52 THR H H 52 8.101 8.101 7.614 0.487 18226 11772 1 34 . 1 1 53 53 VAL N N 53 120.231 120.231 119.008 1.223 18226 11773 1 34 . 1 1 53 53 VAL HA H 53 3.678 3.678 4.141 -0.464 18226 11774 1 34 . 1 1 53 53 VAL C C 53 177.482 177.482 175.852 1.630 18226 11775 1 34 . 1 1 53 53 VAL CA C 53 66.158 66.158 63.731 2.427 18226 11776 1 34 . 1 1 53 53 VAL CB C 53 31.767 31.767 33.694 -1.927 18226 11777 1 34 . 1 1 53 53 VAL H H 53 7.905 7.905 7.830 0.075 18226 11778 1 34 . 1 1 54 54 PHE N N 54 118.609 118.609 118.995 -0.386 18226 11779 1 34 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.574 -0.341 18226 11780 1 34 . 1 1 54 54 PHE CA C 54 60.666 60.666 59.678 0.988 18226 11781 1 34 . 1 1 54 54 PHE CB C 54 39.258 39.258 40.209 -0.951 18226 11782 1 34 . 1 1 54 54 PHE H H 54 8.025 8.025 8.223 -0.198 18226 11783 1 34 . 1 1 55 55 ARG N N 55 117.305 117.305 118.954 -1.649 18226 11784 1 34 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.075 -0.267 18226 11785 1 34 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.644 0.066 18226 11786 1 34 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.055 -0.392 18226 11787 1 34 . 1 1 55 55 ARG H H 55 8.025 8.025 7.650 0.375 18226 11788 1 34 . 1 1 56 56 LYS N N 56 118.321 118.321 118.605 -0.284 18226 11789 1 34 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.860 0.310 18226 11790 1 34 . 1 1 56 56 LYS CA C 56 57.440 57.440 59.047 -1.607 18226 11791 1 34 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.769 1.160 18226 11792 1 34 . 1 1 56 56 LYS H H 56 7.717 7.717 8.532 -0.815 18226 11793 1 34 . 1 1 57 57 LYS N N 57 118.349 118.349 115.807 2.542 18226 11794 1 34 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.171 0.118 18226 11795 1 34 . 1 1 57 57 LYS C C 57 176.891 176.891 176.941 -0.050 18226 11796 1 34 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.279 -0.906 18226 11797 1 34 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.234 0.630 18226 11798 1 34 . 1 1 57 57 LYS H H 57 7.872 7.872 8.090 -0.218 18226 11799 1 34 . 1 1 58 58 GLY N N 58 107.442 107.442 106.600 0.842 18226 11800 1 34 . 1 1 58 58 GLY C C 58 173.263 173.263 173.439 -0.176 18226 11801 1 34 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.652 0.905 18226 11802 1 34 . 1 1 58 58 GLY H H 58 8.060 8.060 7.901 0.159 18226 11803 1 34 . 1 1 59 59 HIS N N 59 116.928 116.928 120.457 -3.529 18226 11804 1 34 . 1 1 59 59 HIS HA H 59 4.668 4.668 3.698 0.970 18226 11805 1 34 . 1 1 59 59 HIS C C 59 173.935 173.935 175.104 -1.169 18226 11806 1 34 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.637 -3.552 18226 11807 1 34 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.049 0.174 18226 11808 1 34 . 1 1 59 59 HIS H H 59 8.076 8.076 8.431 -0.355 18226 11809 1 34 . 1 1 60 60 HIS N N 60 119.187 119.187 115.898 3.289 18226 11810 1 34 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.687 -0.016 18226 11811 1 34 . 1 1 60 60 HIS C C 60 173.926 173.926 173.413 0.513 18226 11812 1 34 . 1 1 60 60 HIS CA C 60 55.429 55.429 55.308 0.121 18226 11813 1 34 . 1 1 60 60 HIS CB C 60 29.157 29.157 31.653 -2.496 18226 11814 1 34 . 1 1 60 60 HIS H H 60 8.547 8.547 8.311 0.236 18226 11815 1 34 . 1 1 61 61 HIS N N 61 120.017 120.017 118.149 1.868 18226 11816 1 34 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.326 0.341 18226 11817 1 34 . 1 1 61 61 HIS C C 61 173.994 173.994 174.891 -0.897 18226 11818 1 34 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.864 -1.431 18226 11819 1 34 . 1 1 61 61 HIS CB C 61 29.201 29.201 27.579 1.622 18226 11820 1 34 . 1 1 61 61 HIS H H 61 8.662 8.662 7.464 1.198 18226 11821 1 34 . 1 1 62 62 HIS N N 62 120.463 120.463 117.427 3.036 18226 11822 1 34 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.020 0.637 18226 11823 1 34 . 1 1 62 62 HIS C C 62 173.939 173.939 174.464 -0.525 18226 11824 1 34 . 1 1 62 62 HIS CA C 62 55.376 55.376 58.541 -3.164 18226 11825 1 34 . 1 1 62 62 HIS CB C 62 29.291 29.291 29.588 -0.297 18226 11826 1 34 . 1 1 62 62 HIS H H 62 8.729 8.729 8.819 -0.090 18226 11827 1 34 . 1 1 63 63 HIS N N 63 120.370 120.370 117.143 3.227 18226 11828 1 34 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.726 -0.068 18226 11829 1 34 . 1 1 63 63 HIS C C 63 173.564 173.564 174.029 -0.465 18226 11830 1 34 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.062 0.546 18226 11831 1 34 . 1 1 63 63 HIS CB C 63 29.365 29.365 32.442 -3.077 18226 11832 1 34 . 1 1 63 63 HIS H H 63 8.619 8.619 8.452 0.167 18226 11833 1 35 . 1 1 2 2 GLU N N 2 123.545 123.545 120.179 3.366 18226 11834 1 35 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.655 -0.269 18226 11835 1 35 . 1 1 2 2 GLU C C 2 175.742 175.742 175.767 -0.025 18226 11836 1 35 . 1 1 2 2 GLU CA C 2 56.363 56.363 57.099 -0.736 18226 11837 1 35 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.581 -0.826 18226 11838 1 35 . 1 1 2 2 GLU H H 2 8.765 8.765 8.934 -0.169 18226 11839 1 35 . 1 1 3 3 GLU N N 3 122.227 122.227 118.751 3.476 18226 11840 1 35 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.497 -0.164 18226 11841 1 35 . 1 1 3 3 GLU C C 3 176.636 176.636 175.393 1.243 18226 11842 1 35 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.636 -0.148 18226 11843 1 35 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.298 -0.541 18226 11844 1 35 . 1 1 3 3 GLU H H 3 8.550 8.550 8.235 0.315 18226 11845 1 35 . 1 1 4 4 GLY N N 4 110.108 110.108 111.994 -1.886 18226 11846 1 35 . 1 1 4 4 GLY C C 4 174.548 174.548 174.902 -0.354 18226 11847 1 35 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.009 0.466 18226 11848 1 35 . 1 1 4 4 GLY H H 4 8.453 8.453 8.470 -0.017 18226 11849 1 35 . 1 1 5 5 GLY N N 5 108.466 108.466 110.276 -1.810 18226 11850 1 35 . 1 1 5 5 GLY C C 5 173.790 173.790 175.310 -1.520 18226 11851 1 35 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.232 0.132 18226 11852 1 35 . 1 1 5 5 GLY H H 5 8.168 8.168 8.379 -0.211 18226 11853 1 35 . 1 1 6 6 ASP N N 6 119.764 119.764 118.707 1.057 18226 11854 1 35 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.146 0.437 18226 11855 1 35 . 1 1 6 6 ASP C C 6 175.811 175.811 175.385 0.426 18226 11856 1 35 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.803 -0.811 18226 11857 1 35 . 1 1 6 6 ASP CB C 6 40.257 40.257 40.218 0.039 18226 11858 1 35 . 1 1 6 6 ASP H H 6 8.187 8.187 8.484 -0.297 18226 11859 1 35 . 1 1 7 7 PHE N N 7 119.941 119.941 115.411 4.530 18226 11860 1 35 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.799 -0.233 18226 11861 1 35 . 1 1 7 7 PHE C C 7 175.636 175.636 174.377 1.259 18226 11862 1 35 . 1 1 7 7 PHE CA C 7 58.071 58.071 56.746 1.325 18226 11863 1 35 . 1 1 7 7 PHE CB C 7 39.319 39.319 38.772 0.547 18226 11864 1 35 . 1 1 7 7 PHE H H 7 8.103 8.103 7.571 0.532 18226 11865 1 35 . 1 1 8 8 ASP N N 8 120.418 120.418 121.290 -0.872 18226 11866 1 35 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.951 -0.414 18226 11867 1 35 . 1 1 8 8 ASP C C 8 175.548 175.548 174.853 0.695 18226 11868 1 35 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.068 0.305 18226 11869 1 35 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.713 -1.327 18226 11870 1 35 . 1 1 8 8 ASP H H 8 8.177 8.177 7.829 0.348 18226 11871 1 35 . 1 1 9 9 ASN N N 9 118.260 118.260 117.362 0.898 18226 11872 1 35 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.926 -0.339 18226 11873 1 35 . 1 1 9 9 ASN C C 9 174.782 174.782 175.085 -0.303 18226 11874 1 35 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.622 -0.225 18226 11875 1 35 . 1 1 9 9 ASN CB C 9 38.762 38.762 40.000 -1.238 18226 11876 1 35 . 1 1 9 9 ASN H H 9 8.057 8.057 8.182 -0.125 18226 11877 1 35 . 1 1 10 10 TYR N N 10 120.145 120.145 121.995 -1.850 18226 11878 1 35 . 1 1 10 10 TYR HA H 10 4.439 4.439 3.459 0.980 18226 11879 1 35 . 1 1 10 10 TYR C C 10 175.520 175.520 173.745 1.775 18226 11880 1 35 . 1 1 10 10 TYR CA C 10 58.369 58.369 60.781 -2.412 18226 11881 1 35 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.526 1.222 18226 11882 1 35 . 1 1 10 10 TYR H H 10 7.951 7.951 8.418 -0.467 18226 11883 1 35 . 1 1 11 11 TYR N N 11 121.223 121.223 117.289 3.934 18226 11884 1 35 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.233 0.266 18226 11885 1 35 . 1 1 11 11 TYR C C 11 175.974 175.974 177.486 -1.512 18226 11886 1 35 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.067 0.006 18226 11887 1 35 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.958 2.713 18226 11888 1 35 . 1 1 11 11 TYR H H 11 7.971 7.971 8.058 -0.087 18226 11889 1 35 . 1 1 12 12 GLY N N 12 109.861 109.861 112.269 -2.408 18226 11890 1 35 . 1 1 12 12 GLY C C 12 173.775 173.775 173.663 0.112 18226 11891 1 35 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.915 -0.535 18226 11892 1 35 . 1 1 12 12 GLY H H 12 7.769 7.769 8.947 -1.178 18226 11893 1 35 . 1 1 13 13 ALA N N 13 123.378 123.378 122.703 0.675 18226 11894 1 35 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.538 -0.236 18226 11895 1 35 . 1 1 13 13 ALA C C 13 177.509 177.509 174.432 3.077 18226 11896 1 35 . 1 1 13 13 ALA CA C 13 52.627 52.627 51.945 0.682 18226 11897 1 35 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.938 -0.493 18226 11898 1 35 . 1 1 13 13 ALA H H 13 7.975 7.975 8.121 -0.146 18226 11899 1 35 . 1 1 14 14 ASP N N 14 118.494 118.494 115.502 2.992 18226 11900 1 35 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.345 0.289 18226 11901 1 35 . 1 1 14 14 ASP C C 14 175.747 175.747 174.657 1.090 18226 11902 1 35 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.267 -0.265 18226 11903 1 35 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.091 0.071 18226 11904 1 35 . 1 1 14 14 ASP H H 14 8.307 8.307 8.129 0.178 18226 11905 1 35 . 1 1 15 15 ASN N N 15 118.834 118.834 118.079 0.755 18226 11906 1 35 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.722 -0.060 18226 11907 1 35 . 1 1 15 15 ASN C C 15 175.258 175.258 175.470 -0.212 18226 11908 1 35 . 1 1 15 15 ASN CA C 15 53.515 53.515 52.426 1.089 18226 11909 1 35 . 1 1 15 15 ASN CB C 15 38.757 38.757 37.705 1.052 18226 11910 1 35 . 1 1 15 15 ASN H H 15 8.221 8.221 8.514 -0.293 18226 11911 1 35 . 1 1 16 16 GLN N N 16 120.413 120.413 118.455 1.958 18226 11912 1 35 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.289 0.066 18226 11913 1 35 . 1 1 16 16 GLN C C 16 176.096 176.096 176.269 -0.173 18226 11914 1 35 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.074 -0.834 18226 11915 1 35 . 1 1 16 16 GLN CB C 16 29.370 29.370 29.135 0.235 18226 11916 1 35 . 1 1 16 16 GLN H H 16 8.295 8.295 8.190 0.105 18226 11917 1 35 . 1 1 17 17 SER N N 17 116.692 116.692 111.332 5.360 18226 11918 1 35 . 1 1 17 17 SER HA H 17 4.428 4.428 4.472 -0.044 18226 11919 1 35 . 1 1 17 17 SER C C 17 174.523 174.523 173.369 1.154 18226 11920 1 35 . 1 1 17 17 SER CA C 17 58.683 58.683 57.859 0.824 18226 11921 1 35 . 1 1 17 17 SER CB C 17 63.794 63.794 63.961 -0.167 18226 11922 1 35 . 1 1 17 17 SER H H 17 8.267 8.267 7.769 0.498 18226 11923 1 35 . 1 1 18 18 GLU N N 18 122.142 122.142 122.733 -0.591 18226 11924 1 35 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.445 -0.082 18226 11925 1 35 . 1 1 18 18 GLU C C 18 175.937 175.937 175.371 0.566 18226 11926 1 35 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.736 -0.430 18226 11927 1 35 . 1 1 18 18 GLU CB C 18 29.506 29.506 29.589 -0.083 18226 11928 1 35 . 1 1 18 18 GLU H H 18 8.330 8.330 8.206 0.124 18226 11929 1 35 . 1 1 19 19 CYS N N 19 120.077 120.077 124.460 -4.383 18226 11930 1 35 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.531 -0.099 18226 11931 1 35 . 1 1 19 19 CYS C C 19 174.442 174.442 174.404 0.038 18226 11932 1 35 . 1 1 19 19 CYS CA C 19 58.613 58.613 60.396 -1.783 18226 11933 1 35 . 1 1 19 19 CYS CB C 19 27.999 27.999 29.175 -1.176 18226 11934 1 35 . 1 1 19 19 CYS H H 19 8.276 8.276 8.517 -0.241 18226 11935 1 35 . 1 1 20 20 GLU N N 20 123.369 123.369 121.903 1.466 18226 11936 1 35 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.346 -0.043 18226 11937 1 35 . 1 1 20 20 GLU C C 20 175.858 175.858 175.906 -0.048 18226 11938 1 35 . 1 1 20 20 GLU CA C 20 56.457 56.457 57.789 -1.332 18226 11939 1 35 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.995 -0.845 18226 11940 1 35 . 1 1 20 20 GLU H H 20 8.400 8.400 8.698 -0.298 18226 11941 1 35 . 1 1 21 21 TYR N N 21 119.980 119.980 119.025 0.955 18226 11942 1 35 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.668 -0.124 18226 11943 1 35 . 1 1 21 21 TYR C C 21 175.669 175.669 174.576 1.093 18226 11944 1 35 . 1 1 21 21 TYR CA C 21 58.103 58.103 57.866 0.237 18226 11945 1 35 . 1 1 21 21 TYR CB C 21 38.677 38.677 38.884 -0.207 18226 11946 1 35 . 1 1 21 21 TYR H H 21 7.991 7.991 7.808 0.183 18226 11947 1 35 . 1 1 22 22 THR N N 22 113.984 113.984 114.850 -0.866 18226 11948 1 35 . 1 1 22 22 THR HA H 22 4.164 4.164 4.557 -0.393 18226 11949 1 35 . 1 1 22 22 THR C C 22 174.259 174.259 173.738 0.521 18226 11950 1 35 . 1 1 22 22 THR CA C 22 62.381 62.381 63.460 -1.079 18226 11951 1 35 . 1 1 22 22 THR CB C 22 69.551 69.551 70.936 -1.385 18226 11952 1 35 . 1 1 22 22 THR H H 22 7.821 7.821 8.343 -0.522 18226 11953 1 35 . 1 1 23 23 ASP N N 23 121.930 121.930 121.653 0.277 18226 11954 1 35 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.795 -0.124 18226 11955 1 35 . 1 1 23 23 ASP C C 23 176.164 176.164 176.375 -0.211 18226 11956 1 35 . 1 1 23 23 ASP CA C 23 53.681 53.681 53.817 -0.136 18226 11957 1 35 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.941 -2.336 18226 11958 1 35 . 1 1 23 23 ASP H H 23 8.106 8.106 8.187 -0.081 18226 11959 1 35 . 1 1 24 24 TRP N N 24 121.947 121.947 119.775 2.172 18226 11960 1 35 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.754 -0.272 18226 11961 1 35 . 1 1 24 24 TRP C C 24 176.496 176.496 175.218 1.278 18226 11962 1 35 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.076 1.162 18226 11963 1 35 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.571 -0.382 18226 11964 1 35 . 1 1 24 24 TRP H H 24 7.991 7.991 8.092 -0.101 18226 11965 1 35 . 1 1 25 25 LYS N N 25 119.673 119.673 117.324 2.349 18226 11966 1 35 . 1 1 25 25 LYS HA H 25 3.989 3.989 3.874 0.115 18226 11967 1 35 . 1 1 25 25 LYS C C 25 176.770 176.770 175.432 1.338 18226 11968 1 35 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.243 2.224 18226 11969 1 35 . 1 1 25 25 LYS CB C 25 31.953 31.953 32.032 -0.079 18226 11970 1 35 . 1 1 25 25 LYS H H 25 7.588 7.588 7.233 0.355 18226 11971 1 35 . 1 1 26 26 SER N N 26 114.157 114.157 114.843 -0.686 18226 11972 1 35 . 1 1 26 26 SER HA H 26 4.462 4.462 4.372 0.090 18226 11973 1 35 . 1 1 26 26 SER C C 26 175.126 175.126 174.035 1.091 18226 11974 1 35 . 1 1 26 26 SER CA C 26 58.673 58.673 58.524 0.149 18226 11975 1 35 . 1 1 26 26 SER CB C 26 63.801 63.801 64.501 -0.700 18226 11976 1 35 . 1 1 26 26 SER H H 26 7.823 7.823 7.781 0.042 18226 11977 1 35 . 1 1 27 27 SER N N 27 117.353 117.353 115.263 2.090 18226 11978 1 35 . 1 1 27 27 SER HA H 27 4.288 4.288 4.351 -0.063 18226 11979 1 35 . 1 1 27 27 SER C C 27 175.598 175.598 174.597 1.001 18226 11980 1 35 . 1 1 27 27 SER CA C 27 60.216 60.216 59.963 0.253 18226 11981 1 35 . 1 1 27 27 SER CB C 27 63.684 63.684 62.674 1.010 18226 11982 1 35 . 1 1 27 27 SER H H 27 8.178 8.178 8.563 -0.385 18226 11983 1 35 . 1 1 28 28 GLY N N 28 110.249 110.249 103.769 6.480 18226 11984 1 35 . 1 1 28 28 GLY C C 28 174.667 174.667 173.757 0.910 18226 11985 1 35 . 1 1 28 28 GLY CA C 28 46.276 46.276 44.848 1.428 18226 11986 1 35 . 1 1 28 28 GLY H H 28 8.359 8.359 7.738 0.621 18226 11987 1 35 . 1 1 29 29 ALA N N 29 121.959 121.959 119.752 2.207 18226 11988 1 35 . 1 1 29 29 ALA HA H 29 4.328 4.328 3.716 0.612 18226 11989 1 35 . 1 1 29 29 ALA C C 29 177.873 177.873 176.962 0.911 18226 11990 1 35 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.294 -0.033 18226 11991 1 35 . 1 1 29 29 ALA CB C 29 19.637 19.637 17.706 1.931 18226 11992 1 35 . 1 1 29 29 ALA H H 29 7.931 7.931 7.856 0.075 18226 11993 1 35 . 1 1 30 30 LEU N N 30 117.460 117.460 117.687 -0.227 18226 11994 1 35 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.044 0.164 18226 11995 1 35 . 1 1 30 30 LEU CA C 30 57.392 57.392 57.355 0.037 18226 11996 1 35 . 1 1 30 30 LEU CB C 30 42.605 42.605 41.230 1.375 18226 11997 1 35 . 1 1 30 30 LEU H H 30 7.924 7.924 7.865 0.059 18226 11998 1 35 . 1 1 31 31 ILE N N 31 117.379 117.379 118.584 -1.205 18226 11999 1 35 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.139 -0.216 18226 12000 1 35 . 1 1 31 31 ILE CA C 31 66.011 66.011 64.512 1.499 18226 12001 1 35 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.547 -0.324 18226 12002 1 35 . 1 1 31 31 ILE H H 31 8.100 8.100 7.240 0.860 18226 12003 1 35 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.217 0.101 18226 12004 1 35 . 1 1 32 32 PRO C C 32 178.706 178.706 177.253 1.453 18226 12005 1 35 . 1 1 32 32 PRO CA C 32 66.031 66.031 65.457 0.574 18226 12006 1 35 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.362 0.905 18226 12007 1 35 . 1 1 33 33 ALA N N 33 119.040 119.040 119.082 -0.042 18226 12008 1 35 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.268 -0.073 18226 12009 1 35 . 1 1 33 33 ALA C C 33 179.052 179.052 177.635 1.417 18226 12010 1 35 . 1 1 33 33 ALA CA C 33 55.393 55.393 53.747 1.646 18226 12011 1 35 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.023 -0.492 18226 12012 1 35 . 1 1 33 33 ALA H H 33 7.462 7.462 7.735 -0.273 18226 12013 1 35 . 1 1 34 34 ILE N N 34 118.037 118.037 113.557 4.480 18226 12014 1 35 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.225 -0.503 18226 12015 1 35 . 1 1 34 34 ILE C C 34 177.827 177.827 177.659 0.168 18226 12016 1 35 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.209 2.814 18226 12017 1 35 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.011 -1.670 18226 12018 1 35 . 1 1 34 34 ILE H H 34 8.176 8.176 8.122 0.054 18226 12019 1 35 . 1 1 35 35 TYR N N 35 118.783 118.783 121.741 -2.958 18226 12020 1 35 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.100 0.045 18226 12021 1 35 . 1 1 35 35 TYR C C 35 178.062 178.062 177.644 0.418 18226 12022 1 35 . 1 1 35 35 TYR CA C 35 61.548 61.548 63.378 -1.830 18226 12023 1 35 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.160 -0.418 18226 12024 1 35 . 1 1 35 35 TYR H H 35 8.306 8.306 8.566 -0.260 18226 12025 1 35 . 1 1 36 36 MET N N 36 118.068 118.068 115.539 2.529 18226 12026 1 35 . 1 1 36 36 MET HA H 36 4.317 4.317 4.425 -0.108 18226 12027 1 35 . 1 1 36 36 MET C C 36 178.183 178.183 177.870 0.313 18226 12028 1 35 . 1 1 36 36 MET CA C 36 58.533 58.533 56.893 1.640 18226 12029 1 35 . 1 1 36 36 MET CB C 36 32.288 32.288 31.679 0.609 18226 12030 1 35 . 1 1 36 36 MET H H 36 8.090 8.090 7.931 0.159 18226 12031 1 35 . 1 1 37 37 LEU N N 37 120.316 120.316 118.441 1.875 18226 12032 1 35 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.147 -0.032 18226 12033 1 35 . 1 1 37 37 LEU C C 37 178.353 178.353 177.537 0.816 18226 12034 1 35 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.411 1.919 18226 12035 1 35 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.964 -0.050 18226 12036 1 35 . 1 1 37 37 LEU H H 37 8.106 8.106 8.293 -0.187 18226 12037 1 35 . 1 1 38 38 VAL N N 38 118.385 118.385 115.079 3.306 18226 12038 1 35 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.038 -0.509 18226 12039 1 35 . 1 1 38 38 VAL C C 38 178.216 178.216 176.793 1.423 18226 12040 1 35 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.415 3.627 18226 12041 1 35 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.529 -0.904 18226 12042 1 35 . 1 1 38 38 VAL H H 38 8.305 8.305 7.143 1.162 18226 12043 1 35 . 1 1 39 39 PHE N N 39 120.216 120.216 122.777 -2.561 18226 12044 1 35 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.147 0.114 18226 12045 1 35 . 1 1 39 39 PHE C C 39 178.597 178.597 177.655 0.942 18226 12046 1 35 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.835 -1.515 18226 12047 1 35 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.283 -0.394 18226 12048 1 35 . 1 1 39 39 PHE H H 39 8.196 8.196 8.449 -0.253 18226 12049 1 35 . 1 1 40 40 LEU N N 40 120.772 120.772 119.576 1.196 18226 12050 1 35 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.158 -0.108 18226 12051 1 35 . 1 1 40 40 LEU C C 40 179.666 179.666 175.823 3.843 18226 12052 1 35 . 1 1 40 40 LEU CA C 40 57.906 57.906 55.099 2.807 18226 12053 1 35 . 1 1 40 40 LEU CB C 40 42.340 42.340 40.819 1.522 18226 12054 1 35 . 1 1 40 40 LEU H H 40 8.452 8.452 8.346 0.106 18226 12055 1 35 . 1 1 41 41 LEU N N 41 119.185 119.185 119.090 0.095 18226 12056 1 35 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.558 -0.459 18226 12057 1 35 . 1 1 41 41 LEU C C 41 178.878 178.878 177.232 1.646 18226 12058 1 35 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.100 1.286 18226 12059 1 35 . 1 1 41 41 LEU CB C 41 41.855 41.855 44.545 -2.690 18226 12060 1 35 . 1 1 41 41 LEU H H 41 8.435 8.435 7.770 0.665 18226 12061 1 35 . 1 1 42 42 GLY N N 42 105.718 105.718 106.297 -0.579 18226 12062 1 35 . 1 1 42 42 GLY C C 42 174.908 174.908 174.613 0.295 18226 12063 1 35 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.787 -0.145 18226 12064 1 35 . 1 1 42 42 GLY H H 42 8.208 8.208 8.766 -0.558 18226 12065 1 35 . 1 1 43 43 THR N N 43 111.959 111.959 114.708 -2.749 18226 12066 1 35 . 1 1 43 43 THR HA H 43 4.348 4.348 4.365 -0.017 18226 12067 1 35 . 1 1 43 43 THR C C 43 175.665 175.665 174.319 1.346 18226 12068 1 35 . 1 1 43 43 THR CA C 43 63.097 63.097 62.514 0.583 18226 12069 1 35 . 1 1 43 43 THR CB C 43 69.867 69.867 70.036 -0.169 18226 12070 1 35 . 1 1 43 43 THR H H 43 7.789 7.789 7.271 0.518 18226 12071 1 35 . 1 1 44 44 THR N N 44 113.271 113.271 115.188 -1.917 18226 12072 1 35 . 1 1 44 44 THR HA H 44 4.308 4.308 3.778 0.530 18226 12073 1 35 . 1 1 44 44 THR C C 44 175.754 175.754 175.623 0.131 18226 12074 1 35 . 1 1 44 44 THR CA C 44 63.194 63.194 63.307 -0.113 18226 12075 1 35 . 1 1 44 44 THR CB C 44 70.171 70.171 68.035 2.136 18226 12076 1 35 . 1 1 44 44 THR H H 44 7.833 7.833 7.550 0.283 18226 12077 1 35 . 1 1 45 45 GLY N N 45 109.879 109.879 109.505 0.374 18226 12078 1 35 . 1 1 45 45 GLY C C 45 175.221 175.221 174.275 0.946 18226 12079 1 35 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.725 0.814 18226 12080 1 35 . 1 1 45 45 GLY H H 45 8.259 8.259 8.136 0.123 18226 12081 1 35 . 1 1 46 46 ASN N N 46 117.998 117.998 117.713 0.285 18226 12082 1 35 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.888 -0.276 18226 12083 1 35 . 1 1 46 46 ASN C C 46 176.215 176.215 176.356 -0.141 18226 12084 1 35 . 1 1 46 46 ASN CA C 46 54.840 54.840 52.781 2.059 18226 12085 1 35 . 1 1 46 46 ASN CB C 46 38.566 38.566 39.263 -0.697 18226 12086 1 35 . 1 1 46 46 ASN H H 46 8.235 8.235 8.468 -0.233 18226 12087 1 35 . 1 1 47 47 GLY N N 47 106.990 106.990 108.460 -1.470 18226 12088 1 35 . 1 1 47 47 GLY C C 47 174.659 174.659 174.626 0.033 18226 12089 1 35 . 1 1 47 47 GLY CA C 47 46.979 46.979 46.077 0.902 18226 12090 1 35 . 1 1 47 47 GLY H H 47 8.425 8.425 8.063 0.362 18226 12091 1 35 . 1 1 48 48 LEU N N 48 120.699 120.699 119.808 0.891 18226 12092 1 35 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.545 -0.245 18226 12093 1 35 . 1 1 48 48 LEU C C 48 179.482 179.482 176.094 3.388 18226 12094 1 35 . 1 1 48 48 LEU CA C 48 57.445 57.445 56.006 1.439 18226 12095 1 35 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.411 0.155 18226 12096 1 35 . 1 1 48 48 LEU H H 48 7.956 7.956 7.579 0.377 18226 12097 1 35 . 1 1 49 49 VAL N N 49 120.101 120.101 117.453 2.648 18226 12098 1 35 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.099 -0.220 18226 12099 1 35 . 1 1 49 49 VAL C C 49 177.535 177.535 176.283 1.252 18226 12100 1 35 . 1 1 49 49 VAL CA C 49 65.862 65.862 62.684 3.178 18226 12101 1 35 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.255 -0.476 18226 12102 1 35 . 1 1 49 49 VAL H H 49 7.919 7.919 7.492 0.427 18226 12103 1 35 . 1 1 50 50 LEU N N 50 119.268 119.268 120.211 -0.943 18226 12104 1 35 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.499 -0.456 18226 12105 1 35 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.239 0.607 18226 12106 1 35 . 1 1 50 50 LEU CB C 50 41.877 41.877 43.067 -1.190 18226 12107 1 35 . 1 1 50 50 LEU H H 50 7.731 7.731 7.576 0.155 18226 12108 1 35 . 1 1 51 51 TRP N N 51 118.033 118.033 120.841 -2.808 18226 12109 1 35 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.313 0.279 18226 12110 1 35 . 1 1 51 51 TRP C C 51 177.302 177.302 177.827 -0.525 18226 12111 1 35 . 1 1 51 51 TRP CA C 51 59.789 59.789 60.212 -0.423 18226 12112 1 35 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.191 1.016 18226 12113 1 35 . 1 1 51 51 TRP H H 51 8.070 8.070 7.836 0.234 18226 12114 1 35 . 1 1 52 52 THR N N 52 113.014 113.014 115.633 -2.619 18226 12115 1 35 . 1 1 52 52 THR HA H 52 3.746 3.746 3.847 -0.101 18226 12116 1 35 . 1 1 52 52 THR C C 52 176.361 176.361 176.405 -0.044 18226 12117 1 35 . 1 1 52 52 THR CA C 52 66.443 66.443 65.554 0.889 18226 12118 1 35 . 1 1 52 52 THR CB C 52 69.017 69.017 68.209 0.808 18226 12119 1 35 . 1 1 52 52 THR H H 52 8.101 8.101 7.694 0.407 18226 12120 1 35 . 1 1 53 53 VAL N N 53 120.231 120.231 119.705 0.526 18226 12121 1 35 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.550 0.128 18226 12122 1 35 . 1 1 53 53 VAL C C 53 177.482 177.482 177.409 0.073 18226 12123 1 35 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.622 -0.464 18226 12124 1 35 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.281 0.486 18226 12125 1 35 . 1 1 53 53 VAL H H 53 7.905 7.905 7.872 0.033 18226 12126 1 35 . 1 1 54 54 PHE N N 54 118.609 118.609 116.303 2.306 18226 12127 1 35 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.212 0.021 18226 12128 1 35 . 1 1 54 54 PHE CA C 54 60.666 60.666 57.946 2.720 18226 12129 1 35 . 1 1 54 54 PHE CB C 54 39.258 39.258 36.534 2.724 18226 12130 1 35 . 1 1 54 54 PHE H H 54 8.025 8.025 7.438 0.587 18226 12131 1 35 . 1 1 55 55 ARG N N 55 117.305 117.305 119.437 -2.132 18226 12132 1 35 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.126 -0.318 18226 12133 1 35 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.260 0.450 18226 12134 1 35 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.404 -1.742 18226 12135 1 35 . 1 1 55 55 ARG H H 55 8.025 8.025 7.594 0.431 18226 12136 1 35 . 1 1 56 56 LYS N N 56 118.321 118.321 119.897 -1.576 18226 12137 1 35 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.247 -0.077 18226 12138 1 35 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.055 -0.615 18226 12139 1 35 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.962 0.968 18226 12140 1 35 . 1 1 56 56 LYS H H 56 7.717 7.717 7.981 -0.264 18226 12141 1 35 . 1 1 57 57 LYS N N 57 118.349 118.349 118.918 -0.569 18226 12142 1 35 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.147 0.142 18226 12143 1 35 . 1 1 57 57 LYS C C 57 176.891 176.891 177.196 -0.305 18226 12144 1 35 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.416 -1.043 18226 12145 1 35 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.663 0.201 18226 12146 1 35 . 1 1 57 57 LYS H H 57 7.872 7.872 7.980 -0.108 18226 12147 1 35 . 1 1 58 58 GLY N N 58 107.442 107.442 107.426 0.016 18226 12148 1 35 . 1 1 58 58 GLY C C 58 173.263 173.263 174.226 -0.963 18226 12149 1 35 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.731 0.826 18226 12150 1 35 . 1 1 58 58 GLY H H 58 8.060 8.060 7.485 0.575 18226 12151 1 35 . 1 1 59 59 HIS N N 59 116.928 116.928 119.915 -2.987 18226 12152 1 35 . 1 1 59 59 HIS HA H 59 4.668 4.668 3.947 0.721 18226 12153 1 35 . 1 1 59 59 HIS C C 59 173.935 173.935 174.670 -0.735 18226 12154 1 35 . 1 1 59 59 HIS CA C 59 55.085 55.085 57.730 -2.645 18226 12155 1 35 . 1 1 59 59 HIS CB C 59 29.223 29.223 28.379 0.844 18226 12156 1 35 . 1 1 59 59 HIS H H 59 8.076 8.076 8.258 -0.182 18226 12157 1 35 . 1 1 60 60 HIS N N 60 119.187 119.187 115.693 3.494 18226 12158 1 35 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.316 0.355 18226 12159 1 35 . 1 1 60 60 HIS C C 60 173.926 173.926 174.774 -0.848 18226 12160 1 35 . 1 1 60 60 HIS CA C 60 55.429 55.429 57.019 -1.590 18226 12161 1 35 . 1 1 60 60 HIS CB C 60 29.157 29.157 28.966 0.191 18226 12162 1 35 . 1 1 60 60 HIS H H 60 8.547 8.547 8.626 -0.079 18226 12163 1 35 . 1 1 61 61 HIS N N 61 120.017 120.017 115.769 4.248 18226 12164 1 35 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.784 -0.117 18226 12165 1 35 . 1 1 61 61 HIS C C 61 173.994 173.994 173.919 0.075 18226 12166 1 35 . 1 1 61 61 HIS CA C 61 55.433 55.433 54.304 1.129 18226 12167 1 35 . 1 1 61 61 HIS CB C 61 29.201 29.201 28.636 0.565 18226 12168 1 35 . 1 1 61 61 HIS H H 61 8.662 8.662 8.694 -0.032 18226 12169 1 35 . 1 1 62 62 HIS N N 62 120.463 120.463 119.488 0.975 18226 12170 1 35 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.239 0.418 18226 12171 1 35 . 1 1 62 62 HIS C C 62 173.939 173.939 175.117 -1.178 18226 12172 1 35 . 1 1 62 62 HIS CA C 62 55.376 55.376 56.209 -0.833 18226 12173 1 35 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.216 -0.925 18226 12174 1 35 . 1 1 62 62 HIS H H 62 8.729 8.729 8.241 0.488 18226 12175 1 35 . 1 1 63 63 HIS N N 63 120.370 120.370 116.092 4.278 18226 12176 1 35 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.105 0.553 18226 12177 1 35 . 1 1 63 63 HIS C C 63 173.564 173.564 174.209 -0.645 18226 12178 1 35 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.147 0.461 18226 12179 1 35 . 1 1 63 63 HIS CB C 63 29.365 29.365 26.909 2.456 18226 12180 1 35 . 1 1 63 63 HIS H H 63 8.619 8.619 8.544 0.075 18226 12181 1 36 . 1 1 2 2 GLU N N 2 123.545 123.545 120.913 2.632 18226 12182 1 36 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.371 0.015 18226 12183 1 36 . 1 1 2 2 GLU C C 2 175.742 175.742 175.931 -0.189 18226 12184 1 36 . 1 1 2 2 GLU CA C 2 56.363 56.363 57.247 -0.884 18226 12185 1 36 . 1 1 2 2 GLU CB C 2 29.755 29.755 30.143 -0.388 18226 12186 1 36 . 1 1 2 2 GLU H H 2 8.765 8.765 9.054 -0.289 18226 12187 1 36 . 1 1 3 3 GLU N N 3 122.227 122.227 118.257 3.970 18226 12188 1 36 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.363 -0.030 18226 12189 1 36 . 1 1 3 3 GLU C C 3 176.636 176.636 175.871 0.765 18226 12190 1 36 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.676 -0.188 18226 12191 1 36 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.100 -0.343 18226 12192 1 36 . 1 1 3 3 GLU H H 3 8.550 8.550 7.953 0.597 18226 12193 1 36 . 1 1 4 4 GLY N N 4 110.108 110.108 108.443 1.665 18226 12194 1 36 . 1 1 4 4 GLY C C 4 174.548 174.548 174.983 -0.435 18226 12195 1 36 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.020 0.455 18226 12196 1 36 . 1 1 4 4 GLY H H 4 8.453 8.453 8.441 0.012 18226 12197 1 36 . 1 1 5 5 GLY N N 5 108.466 108.466 107.617 0.849 18226 12198 1 36 . 1 1 5 5 GLY C C 5 173.790 173.790 173.825 -0.035 18226 12199 1 36 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.993 -0.629 18226 12200 1 36 . 1 1 5 5 GLY H H 5 8.168 8.168 7.937 0.231 18226 12201 1 36 . 1 1 6 6 ASP N N 6 119.764 119.764 119.731 0.033 18226 12202 1 36 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.539 0.044 18226 12203 1 36 . 1 1 6 6 ASP C C 6 175.811 175.811 174.735 1.076 18226 12204 1 36 . 1 1 6 6 ASP CA C 6 53.992 53.992 53.997 -0.005 18226 12205 1 36 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.295 -1.038 18226 12206 1 36 . 1 1 6 6 ASP H H 6 8.187 8.187 8.580 -0.393 18226 12207 1 36 . 1 1 7 7 PHE N N 7 119.941 119.941 118.241 1.700 18226 12208 1 36 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.647 -0.081 18226 12209 1 36 . 1 1 7 7 PHE C C 7 175.636 175.636 174.453 1.183 18226 12210 1 36 . 1 1 7 7 PHE CA C 7 58.071 58.071 57.950 0.121 18226 12211 1 36 . 1 1 7 7 PHE CB C 7 39.319 39.319 39.908 -0.589 18226 12212 1 36 . 1 1 7 7 PHE H H 7 8.103 8.103 7.689 0.414 18226 12213 1 36 . 1 1 8 8 ASP N N 8 120.418 120.418 120.584 -0.166 18226 12214 1 36 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.696 -0.159 18226 12215 1 36 . 1 1 8 8 ASP C C 8 175.548 175.548 174.920 0.628 18226 12216 1 36 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.258 0.115 18226 12217 1 36 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.142 -0.755 18226 12218 1 36 . 1 1 8 8 ASP H H 8 8.177 8.177 8.641 -0.464 18226 12219 1 36 . 1 1 9 9 ASN N N 9 118.260 118.260 117.391 0.869 18226 12220 1 36 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.737 -0.150 18226 12221 1 36 . 1 1 9 9 ASN C C 9 174.782 174.782 175.286 -0.504 18226 12222 1 36 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.568 -0.171 18226 12223 1 36 . 1 1 9 9 ASN CB C 9 38.762 38.762 40.041 -1.279 18226 12224 1 36 . 1 1 9 9 ASN H H 9 8.057 8.057 8.210 -0.153 18226 12225 1 36 . 1 1 10 10 TYR N N 10 120.145 120.145 120.351 -0.206 18226 12226 1 36 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.589 -0.150 18226 12227 1 36 . 1 1 10 10 TYR C C 10 175.520 175.520 175.727 -0.207 18226 12228 1 36 . 1 1 10 10 TYR CA C 10 58.369 58.369 58.580 -0.211 18226 12229 1 36 . 1 1 10 10 TYR CB C 10 38.749 38.749 38.563 0.186 18226 12230 1 36 . 1 1 10 10 TYR H H 10 7.951 7.951 8.316 -0.365 18226 12231 1 36 . 1 1 11 11 TYR N N 11 121.223 121.223 121.528 -0.305 18226 12232 1 36 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.528 -0.029 18226 12233 1 36 . 1 1 11 11 TYR C C 11 175.974 175.974 176.514 -0.540 18226 12234 1 36 . 1 1 11 11 TYR CA C 11 58.073 58.073 56.837 1.236 18226 12235 1 36 . 1 1 11 11 TYR CB C 11 38.671 38.671 36.880 1.791 18226 12236 1 36 . 1 1 11 11 TYR H H 11 7.971 7.971 7.964 0.007 18226 12237 1 36 . 1 1 12 12 GLY N N 12 109.861 109.861 112.373 -2.512 18226 12238 1 36 . 1 1 12 12 GLY C C 12 173.775 173.775 173.645 0.130 18226 12239 1 36 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.535 -0.155 18226 12240 1 36 . 1 1 12 12 GLY H H 12 7.769 7.769 8.355 -0.586 18226 12241 1 36 . 1 1 13 13 ALA N N 13 123.378 123.378 124.334 -0.956 18226 12242 1 36 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.362 -0.059 18226 12243 1 36 . 1 1 13 13 ALA C C 13 177.509 177.509 176.079 1.430 18226 12244 1 36 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.138 0.489 18226 12245 1 36 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.631 -0.187 18226 12246 1 36 . 1 1 13 13 ALA H H 13 7.975 7.975 7.694 0.281 18226 12247 1 36 . 1 1 14 14 ASP N N 14 118.494 118.494 120.758 -2.264 18226 12248 1 36 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.211 0.423 18226 12249 1 36 . 1 1 14 14 ASP C C 14 175.747 175.747 175.015 0.732 18226 12250 1 36 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.994 -0.992 18226 12251 1 36 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.157 0.005 18226 12252 1 36 . 1 1 14 14 ASP H H 14 8.307 8.307 8.343 -0.036 18226 12253 1 36 . 1 1 15 15 ASN N N 15 118.834 118.834 113.396 5.438 18226 12254 1 36 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.387 0.275 18226 12255 1 36 . 1 1 15 15 ASN C C 15 175.258 175.258 175.165 0.093 18226 12256 1 36 . 1 1 15 15 ASN CA C 15 53.515 53.515 54.556 -1.041 18226 12257 1 36 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.337 0.420 18226 12258 1 36 . 1 1 15 15 ASN H H 15 8.221 8.221 8.418 -0.197 18226 12259 1 36 . 1 1 16 16 GLN N N 16 120.413 120.413 121.859 -1.446 18226 12260 1 36 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.381 -0.026 18226 12261 1 36 . 1 1 16 16 GLN C C 16 176.096 176.096 176.551 -0.455 18226 12262 1 36 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.488 -1.248 18226 12263 1 36 . 1 1 16 16 GLN CB C 16 29.370 29.370 29.176 0.194 18226 12264 1 36 . 1 1 16 16 GLN H H 16 8.295 8.295 8.680 -0.385 18226 12265 1 36 . 1 1 17 17 SER N N 17 116.692 116.692 112.107 4.585 18226 12266 1 36 . 1 1 17 17 SER HA H 17 4.428 4.428 4.534 -0.106 18226 12267 1 36 . 1 1 17 17 SER C C 17 174.523 174.523 173.154 1.369 18226 12268 1 36 . 1 1 17 17 SER CA C 17 58.683 58.683 58.045 0.638 18226 12269 1 36 . 1 1 17 17 SER CB C 17 63.794 63.794 63.306 0.488 18226 12270 1 36 . 1 1 17 17 SER H H 17 8.267 8.267 7.859 0.408 18226 12271 1 36 . 1 1 18 18 GLU N N 18 122.142 122.142 121.442 0.700 18226 12272 1 36 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.545 -0.182 18226 12273 1 36 . 1 1 18 18 GLU C C 18 175.937 175.937 176.600 -0.663 18226 12274 1 36 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.179 -0.874 18226 12275 1 36 . 1 1 18 18 GLU CB C 18 29.506 29.506 30.279 -0.773 18226 12276 1 36 . 1 1 18 18 GLU H H 18 8.330 8.330 8.167 0.163 18226 12277 1 36 . 1 1 19 19 CYS N N 19 120.077 120.077 116.351 3.726 18226 12278 1 36 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.275 0.157 18226 12279 1 36 . 1 1 19 19 CYS C C 19 174.442 174.442 173.909 0.533 18226 12280 1 36 . 1 1 19 19 CYS CA C 19 58.613 58.613 60.818 -2.204 18226 12281 1 36 . 1 1 19 19 CYS CB C 19 27.999 27.999 26.741 1.258 18226 12282 1 36 . 1 1 19 19 CYS H H 19 8.276 8.276 8.831 -0.555 18226 12283 1 36 . 1 1 20 20 GLU N N 20 123.369 123.369 117.060 6.309 18226 12284 1 36 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.420 -0.117 18226 12285 1 36 . 1 1 20 20 GLU C C 20 175.858 175.858 175.980 -0.122 18226 12286 1 36 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.212 0.245 18226 12287 1 36 . 1 1 20 20 GLU CB C 20 29.150 29.150 30.469 -1.319 18226 12288 1 36 . 1 1 20 20 GLU H H 20 8.400 8.400 8.214 0.186 18226 12289 1 36 . 1 1 21 21 TYR N N 21 119.980 119.980 120.090 -0.110 18226 12290 1 36 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.609 -0.065 18226 12291 1 36 . 1 1 21 21 TYR C C 21 175.669 175.669 175.751 -0.082 18226 12292 1 36 . 1 1 21 21 TYR CA C 21 58.103 58.103 59.386 -1.283 18226 12293 1 36 . 1 1 21 21 TYR CB C 21 38.677 38.677 39.137 -0.460 18226 12294 1 36 . 1 1 21 21 TYR H H 21 7.991 7.991 8.111 -0.120 18226 12295 1 36 . 1 1 22 22 THR N N 22 113.984 113.984 110.218 3.766 18226 12296 1 36 . 1 1 22 22 THR HA H 22 4.164 4.164 4.191 -0.027 18226 12297 1 36 . 1 1 22 22 THR C C 22 174.259 174.259 172.910 1.349 18226 12298 1 36 . 1 1 22 22 THR CA C 22 62.381 62.381 63.033 -0.652 18226 12299 1 36 . 1 1 22 22 THR CB C 22 69.551 69.551 68.491 1.060 18226 12300 1 36 . 1 1 22 22 THR H H 22 7.821 7.821 8.326 -0.505 18226 12301 1 36 . 1 1 23 23 ASP N N 23 121.930 121.930 115.707 6.223 18226 12302 1 36 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.814 -0.143 18226 12303 1 36 . 1 1 23 23 ASP C C 23 176.164 176.164 176.277 -0.113 18226 12304 1 36 . 1 1 23 23 ASP CA C 23 53.681 53.681 53.807 -0.126 18226 12305 1 36 . 1 1 23 23 ASP CB C 23 39.606 39.606 40.711 -1.105 18226 12306 1 36 . 1 1 23 23 ASP H H 23 8.106 8.106 8.467 -0.361 18226 12307 1 36 . 1 1 24 24 TRP N N 24 121.947 121.947 118.653 3.294 18226 12308 1 36 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.868 -0.386 18226 12309 1 36 . 1 1 24 24 TRP C C 24 176.496 176.496 175.856 0.640 18226 12310 1 36 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.919 0.319 18226 12311 1 36 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.698 -0.509 18226 12312 1 36 . 1 1 24 24 TRP H H 24 7.991 7.991 7.998 -0.007 18226 12313 1 36 . 1 1 25 25 LYS N N 25 119.673 119.673 116.937 2.736 18226 12314 1 36 . 1 1 25 25 LYS HA H 25 3.989 3.989 3.870 0.119 18226 12315 1 36 . 1 1 25 25 LYS C C 25 176.770 176.770 175.680 1.090 18226 12316 1 36 . 1 1 25 25 LYS CA C 25 57.467 57.467 56.004 1.463 18226 12317 1 36 . 1 1 25 25 LYS CB C 25 31.953 31.953 30.826 1.127 18226 12318 1 36 . 1 1 25 25 LYS H H 25 7.588 7.588 7.384 0.204 18226 12319 1 36 . 1 1 26 26 SER N N 26 114.157 114.157 114.893 -0.736 18226 12320 1 36 . 1 1 26 26 SER HA H 26 4.462 4.462 4.549 -0.087 18226 12321 1 36 . 1 1 26 26 SER C C 26 175.126 175.126 175.337 -0.211 18226 12322 1 36 . 1 1 26 26 SER CA C 26 58.673 58.673 59.538 -0.865 18226 12323 1 36 . 1 1 26 26 SER CB C 26 63.801 63.801 64.491 -0.690 18226 12324 1 36 . 1 1 26 26 SER H H 26 7.823 7.823 7.575 0.248 18226 12325 1 36 . 1 1 27 27 SER N N 27 117.353 117.353 118.344 -0.991 18226 12326 1 36 . 1 1 27 27 SER HA H 27 4.288 4.288 4.470 -0.182 18226 12327 1 36 . 1 1 27 27 SER C C 27 175.598 175.598 175.560 0.038 18226 12328 1 36 . 1 1 27 27 SER CA C 27 60.216 60.216 59.762 0.454 18226 12329 1 36 . 1 1 27 27 SER CB C 27 63.684 63.684 62.934 0.750 18226 12330 1 36 . 1 1 27 27 SER H H 27 8.178 8.178 7.846 0.332 18226 12331 1 36 . 1 1 28 28 GLY N N 28 110.249 110.249 107.067 3.182 18226 12332 1 36 . 1 1 28 28 GLY C C 28 174.667 174.667 173.503 1.164 18226 12333 1 36 . 1 1 28 28 GLY CA C 28 46.276 46.276 44.696 1.580 18226 12334 1 36 . 1 1 28 28 GLY H H 28 8.359 8.359 7.762 0.597 18226 12335 1 36 . 1 1 29 29 ALA N N 29 121.959 121.959 121.966 -0.007 18226 12336 1 36 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.534 -0.206 18226 12337 1 36 . 1 1 29 29 ALA C C 29 177.873 177.873 176.609 1.264 18226 12338 1 36 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.939 0.322 18226 12339 1 36 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.837 -0.200 18226 12340 1 36 . 1 1 29 29 ALA H H 29 7.931 7.931 7.924 0.007 18226 12341 1 36 . 1 1 30 30 LEU N N 30 117.460 117.460 119.278 -1.818 18226 12342 1 36 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.366 -0.158 18226 12343 1 36 . 1 1 30 30 LEU CA C 30 57.392 57.392 56.406 0.986 18226 12344 1 36 . 1 1 30 30 LEU CB C 30 42.605 42.605 43.124 -0.519 18226 12345 1 36 . 1 1 30 30 LEU H H 30 7.924 7.924 7.678 0.246 18226 12346 1 36 . 1 1 31 31 ILE N N 31 117.379 117.379 116.656 0.723 18226 12347 1 36 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.431 -0.508 18226 12348 1 36 . 1 1 31 31 ILE CA C 31 66.011 66.011 61.566 4.445 18226 12349 1 36 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.396 -0.173 18226 12350 1 36 . 1 1 31 31 ILE H H 31 8.100 8.100 8.168 -0.068 18226 12351 1 36 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.623 -0.305 18226 12352 1 36 . 1 1 32 32 PRO C C 32 178.706 178.706 175.740 2.966 18226 12353 1 36 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.710 2.321 18226 12354 1 36 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.245 1.022 18226 12355 1 36 . 1 1 33 33 ALA N N 33 119.040 119.040 120.566 -1.526 18226 12356 1 36 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.459 -0.264 18226 12357 1 36 . 1 1 33 33 ALA C C 33 179.052 179.052 176.924 2.128 18226 12358 1 36 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.289 3.104 18226 12359 1 36 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.192 -1.661 18226 12360 1 36 . 1 1 33 33 ALA H H 33 7.462 7.462 8.272 -0.810 18226 12361 1 36 . 1 1 34 34 ILE N N 34 118.037 118.037 113.922 4.115 18226 12362 1 36 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.308 -0.586 18226 12363 1 36 . 1 1 34 34 ILE C C 34 177.827 177.827 176.449 1.378 18226 12364 1 36 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.183 2.840 18226 12365 1 36 . 1 1 34 34 ILE CB C 34 37.341 37.341 38.756 -1.415 18226 12366 1 36 . 1 1 34 34 ILE H H 34 8.176 8.176 7.516 0.660 18226 12367 1 36 . 1 1 35 35 TYR N N 35 118.783 118.783 122.450 -3.667 18226 12368 1 36 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.090 0.055 18226 12369 1 36 . 1 1 35 35 TYR C C 35 178.062 178.062 176.778 1.284 18226 12370 1 36 . 1 1 35 35 TYR CA C 35 61.548 61.548 61.547 0.001 18226 12371 1 36 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.860 -0.118 18226 12372 1 36 . 1 1 35 35 TYR H H 35 8.306 8.306 7.846 0.460 18226 12373 1 36 . 1 1 36 36 MET N N 36 118.068 118.068 117.924 0.144 18226 12374 1 36 . 1 1 36 36 MET HA H 36 4.317 4.317 3.521 0.796 18226 12375 1 36 . 1 1 36 36 MET C C 36 178.183 178.183 177.901 0.282 18226 12376 1 36 . 1 1 36 36 MET CA C 36 58.533 58.533 58.806 -0.272 18226 12377 1 36 . 1 1 36 36 MET CB C 36 32.288 32.288 31.590 0.697 18226 12378 1 36 . 1 1 36 36 MET H H 36 8.090 8.090 7.664 0.426 18226 12379 1 36 . 1 1 37 37 LEU N N 37 120.316 120.316 118.022 2.294 18226 12380 1 36 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.051 0.064 18226 12381 1 36 . 1 1 37 37 LEU C C 37 178.353 178.353 178.148 0.205 18226 12382 1 36 . 1 1 37 37 LEU CA C 37 58.330 58.330 57.532 0.798 18226 12383 1 36 . 1 1 37 37 LEU CB C 37 41.914 41.914 40.465 1.449 18226 12384 1 36 . 1 1 37 37 LEU H H 37 8.106 8.106 7.648 0.458 18226 12385 1 36 . 1 1 38 38 VAL N N 38 118.385 118.385 116.457 1.928 18226 12386 1 36 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.962 -0.433 18226 12387 1 36 . 1 1 38 38 VAL C C 38 178.216 178.216 177.827 0.389 18226 12388 1 36 . 1 1 38 38 VAL CA C 38 67.042 67.042 64.507 2.535 18226 12389 1 36 . 1 1 38 38 VAL CB C 38 31.625 31.625 31.997 -0.372 18226 12390 1 36 . 1 1 38 38 VAL H H 38 8.305 8.305 7.307 0.998 18226 12391 1 36 . 1 1 39 39 PHE N N 39 120.216 120.216 122.733 -2.517 18226 12392 1 36 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.144 0.117 18226 12393 1 36 . 1 1 39 39 PHE C C 39 178.597 178.597 176.261 2.336 18226 12394 1 36 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.581 -1.261 18226 12395 1 36 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.447 -0.558 18226 12396 1 36 . 1 1 39 39 PHE H H 39 8.196 8.196 8.025 0.171 18226 12397 1 36 . 1 1 40 40 LEU N N 40 120.772 120.772 117.669 3.103 18226 12398 1 36 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.290 -0.240 18226 12399 1 36 . 1 1 40 40 LEU C C 40 179.666 179.666 175.885 3.781 18226 12400 1 36 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.694 3.212 18226 12401 1 36 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.096 1.244 18226 12402 1 36 . 1 1 40 40 LEU H H 40 8.452 8.452 7.904 0.548 18226 12403 1 36 . 1 1 41 41 LEU N N 41 119.185 119.185 120.642 -1.457 18226 12404 1 36 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.451 -0.352 18226 12405 1 36 . 1 1 41 41 LEU C C 41 178.878 178.878 176.718 2.160 18226 12406 1 36 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.410 0.977 18226 12407 1 36 . 1 1 41 41 LEU CB C 41 41.855 41.855 42.746 -0.891 18226 12408 1 36 . 1 1 41 41 LEU H H 41 8.435 8.435 7.787 0.648 18226 12409 1 36 . 1 1 42 42 GLY N N 42 105.718 105.718 106.470 -0.752 18226 12410 1 36 . 1 1 42 42 GLY C C 42 174.908 174.908 174.623 0.285 18226 12411 1 36 . 1 1 42 42 GLY CA C 42 46.642 46.642 47.338 -0.696 18226 12412 1 36 . 1 1 42 42 GLY H H 42 8.208 8.208 8.286 -0.078 18226 12413 1 36 . 1 1 43 43 THR N N 43 111.959 111.959 113.321 -1.362 18226 12414 1 36 . 1 1 43 43 THR HA H 43 4.348 4.348 4.322 0.026 18226 12415 1 36 . 1 1 43 43 THR C C 43 175.665 175.665 174.510 1.155 18226 12416 1 36 . 1 1 43 43 THR CA C 43 63.097 63.097 62.271 0.826 18226 12417 1 36 . 1 1 43 43 THR CB C 43 69.867 69.867 69.972 -0.104 18226 12418 1 36 . 1 1 43 43 THR H H 43 7.789 7.789 7.239 0.550 18226 12419 1 36 . 1 1 44 44 THR N N 44 113.271 113.271 114.399 -1.128 18226 12420 1 36 . 1 1 44 44 THR HA H 44 4.308 4.308 3.863 0.445 18226 12421 1 36 . 1 1 44 44 THR C C 44 175.754 175.754 175.390 0.364 18226 12422 1 36 . 1 1 44 44 THR CA C 44 63.194 63.194 63.819 -0.625 18226 12423 1 36 . 1 1 44 44 THR CB C 44 70.171 70.171 67.835 2.336 18226 12424 1 36 . 1 1 44 44 THR H H 44 7.833 7.833 8.321 -0.488 18226 12425 1 36 . 1 1 45 45 GLY N N 45 109.879 109.879 110.492 -0.613 18226 12426 1 36 . 1 1 45 45 GLY C C 45 175.221 175.221 174.058 1.163 18226 12427 1 36 . 1 1 45 45 GLY CA C 45 46.539 46.539 44.959 1.580 18226 12428 1 36 . 1 1 45 45 GLY H H 45 8.259 8.259 8.018 0.241 18226 12429 1 36 . 1 1 46 46 ASN N N 46 117.998 117.998 116.167 1.831 18226 12430 1 36 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.891 -0.279 18226 12431 1 36 . 1 1 46 46 ASN C C 46 176.215 176.215 175.348 0.867 18226 12432 1 36 . 1 1 46 46 ASN CA C 46 54.840 54.840 52.884 1.956 18226 12433 1 36 . 1 1 46 46 ASN CB C 46 38.566 38.566 39.604 -1.038 18226 12434 1 36 . 1 1 46 46 ASN H H 46 8.235 8.235 8.138 0.097 18226 12435 1 36 . 1 1 47 47 GLY N N 47 106.990 106.990 107.015 -0.025 18226 12436 1 36 . 1 1 47 47 GLY C C 47 174.659 174.659 173.483 1.176 18226 12437 1 36 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.057 1.922 18226 12438 1 36 . 1 1 47 47 GLY H H 47 8.425 8.425 8.000 0.425 18226 12439 1 36 . 1 1 48 48 LEU N N 48 120.699 120.699 114.335 6.364 18226 12440 1 36 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.872 -0.572 18226 12441 1 36 . 1 1 48 48 LEU C C 48 179.482 179.482 175.824 3.658 18226 12442 1 36 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.104 2.341 18226 12443 1 36 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.372 -0.806 18226 12444 1 36 . 1 1 48 48 LEU H H 48 7.956 7.956 7.548 0.408 18226 12445 1 36 . 1 1 49 49 VAL N N 49 120.101 120.101 114.730 5.371 18226 12446 1 36 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.272 -0.393 18226 12447 1 36 . 1 1 49 49 VAL C C 49 177.535 177.535 176.110 1.425 18226 12448 1 36 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.030 2.832 18226 12449 1 36 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.097 -0.318 18226 12450 1 36 . 1 1 49 49 VAL H H 49 7.919 7.919 7.504 0.415 18226 12451 1 36 . 1 1 50 50 LEU N N 50 119.268 119.268 121.532 -2.264 18226 12452 1 36 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.517 -0.474 18226 12453 1 36 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.158 0.687 18226 12454 1 36 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.233 -0.356 18226 12455 1 36 . 1 1 50 50 LEU H H 50 7.731 7.731 8.091 -0.360 18226 12456 1 36 . 1 1 51 51 TRP N N 51 118.033 118.033 118.525 -0.492 18226 12457 1 36 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.575 0.017 18226 12458 1 36 . 1 1 51 51 TRP C C 51 177.302 177.302 176.741 0.561 18226 12459 1 36 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.008 0.781 18226 12460 1 36 . 1 1 51 51 TRP CB C 51 30.207 30.207 28.762 1.444 18226 12461 1 36 . 1 1 51 51 TRP H H 51 8.070 8.070 7.995 0.075 18226 12462 1 36 . 1 1 52 52 THR N N 52 113.014 113.014 114.490 -1.476 18226 12463 1 36 . 1 1 52 52 THR HA H 52 3.746 3.746 3.659 0.087 18226 12464 1 36 . 1 1 52 52 THR C C 52 176.361 176.361 174.084 2.277 18226 12465 1 36 . 1 1 52 52 THR CA C 52 66.443 66.443 61.800 4.643 18226 12466 1 36 . 1 1 52 52 THR CB C 52 69.017 69.017 67.943 1.074 18226 12467 1 36 . 1 1 52 52 THR H H 52 8.101 8.101 8.103 -0.002 18226 12468 1 36 . 1 1 53 53 VAL N N 53 120.231 120.231 118.535 1.696 18226 12469 1 36 . 1 1 53 53 VAL HA H 53 3.678 3.678 4.104 -0.426 18226 12470 1 36 . 1 1 53 53 VAL C C 53 177.482 177.482 175.265 2.217 18226 12471 1 36 . 1 1 53 53 VAL CA C 53 66.158 66.158 62.029 4.129 18226 12472 1 36 . 1 1 53 53 VAL CB C 53 31.767 31.767 32.523 -0.755 18226 12473 1 36 . 1 1 53 53 VAL H H 53 7.905 7.905 7.063 0.842 18226 12474 1 36 . 1 1 54 54 PHE N N 54 118.609 118.609 119.150 -0.541 18226 12475 1 36 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.563 -0.330 18226 12476 1 36 . 1 1 54 54 PHE CA C 54 60.666 60.666 57.722 2.944 18226 12477 1 36 . 1 1 54 54 PHE CB C 54 39.258 39.258 41.302 -2.044 18226 12478 1 36 . 1 1 54 54 PHE H H 54 8.025 8.025 7.457 0.568 18226 12479 1 36 . 1 1 55 55 ARG N N 55 117.305 117.305 117.662 -0.357 18226 12480 1 36 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.255 -0.447 18226 12481 1 36 . 1 1 55 55 ARG CA C 55 57.710 57.710 56.551 1.159 18226 12482 1 36 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.237 -0.574 18226 12483 1 36 . 1 1 55 55 ARG H H 55 8.025 8.025 7.551 0.474 18226 12484 1 36 . 1 1 56 56 LYS N N 56 118.321 118.321 117.637 0.684 18226 12485 1 36 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.084 0.086 18226 12486 1 36 . 1 1 56 56 LYS CA C 56 57.440 57.440 56.099 1.341 18226 12487 1 36 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.521 1.408 18226 12488 1 36 . 1 1 56 56 LYS H H 56 7.717 7.717 7.878 -0.161 18226 12489 1 36 . 1 1 57 57 LYS N N 57 118.349 118.349 118.432 -0.083 18226 12490 1 36 . 1 1 57 57 LYS HA H 57 4.289 4.289 3.843 0.446 18226 12491 1 36 . 1 1 57 57 LYS C C 57 176.891 176.891 176.948 -0.057 18226 12492 1 36 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.953 -1.580 18226 12493 1 36 . 1 1 57 57 LYS CB C 57 32.864 32.864 31.585 1.279 18226 12494 1 36 . 1 1 57 57 LYS H H 57 7.872 7.872 7.847 0.025 18226 12495 1 36 . 1 1 58 58 GLY N N 58 107.442 107.442 102.659 4.783 18226 12496 1 36 . 1 1 58 58 GLY C C 58 173.263 173.263 174.043 -0.780 18226 12497 1 36 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.666 0.891 18226 12498 1 36 . 1 1 58 58 GLY H H 58 8.060 8.060 7.518 0.542 18226 12499 1 36 . 1 1 59 59 HIS N N 59 116.928 116.928 117.383 -0.455 18226 12500 1 36 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.190 0.478 18226 12501 1 36 . 1 1 59 59 HIS C C 59 173.935 173.935 175.127 -1.192 18226 12502 1 36 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.818 -3.733 18226 12503 1 36 . 1 1 59 59 HIS CB C 59 29.223 29.223 28.448 0.775 18226 12504 1 36 . 1 1 59 59 HIS H H 59 8.076 8.076 7.116 0.960 18226 12505 1 36 . 1 1 60 60 HIS N N 60 119.187 119.187 117.866 1.321 18226 12506 1 36 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.479 0.192 18226 12507 1 36 . 1 1 60 60 HIS C C 60 173.926 173.926 173.570 0.356 18226 12508 1 36 . 1 1 60 60 HIS CA C 60 55.429 55.429 55.352 0.077 18226 12509 1 36 . 1 1 60 60 HIS CB C 60 29.157 29.157 32.128 -2.971 18226 12510 1 36 . 1 1 60 60 HIS H H 60 8.547 8.547 8.392 0.155 18226 12511 1 36 . 1 1 61 61 HIS N N 61 120.017 120.017 118.683 1.334 18226 12512 1 36 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.199 0.468 18226 12513 1 36 . 1 1 61 61 HIS C C 61 173.994 173.994 174.236 -0.242 18226 12514 1 36 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.349 -0.916 18226 12515 1 36 . 1 1 61 61 HIS CB C 61 29.201 29.201 27.978 1.223 18226 12516 1 36 . 1 1 61 61 HIS H H 61 8.662 8.662 7.280 1.382 18226 12517 1 36 . 1 1 62 62 HIS N N 62 120.463 120.463 119.809 0.654 18226 12518 1 36 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.125 0.531 18226 12519 1 36 . 1 1 62 62 HIS C C 62 173.939 173.939 174.618 -0.679 18226 12520 1 36 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.629 -0.253 18226 12521 1 36 . 1 1 62 62 HIS CB C 62 29.291 29.291 29.674 -0.383 18226 12522 1 36 . 1 1 62 62 HIS H H 62 8.729 8.729 8.659 0.070 18226 12523 1 36 . 1 1 63 63 HIS N N 63 120.370 120.370 123.184 -2.814 18226 12524 1 36 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.639 0.019 18226 12525 1 36 . 1 1 63 63 HIS C C 63 173.564 173.564 174.590 -1.026 18226 12526 1 36 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.681 -0.073 18226 12527 1 36 . 1 1 63 63 HIS CB C 63 29.365 29.365 27.840 1.525 18226 12528 1 36 . 1 1 63 63 HIS H H 63 8.619 8.619 8.129 0.490 18226 12529 1 37 . 1 1 2 2 GLU N N 2 123.545 123.545 119.297 4.248 18226 12530 1 37 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.212 0.174 18226 12531 1 37 . 1 1 2 2 GLU C C 2 175.742 175.742 177.628 -1.886 18226 12532 1 37 . 1 1 2 2 GLU CA C 2 56.363 56.363 57.568 -1.205 18226 12533 1 37 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.773 -0.018 18226 12534 1 37 . 1 1 2 2 GLU H H 2 8.765 8.765 8.507 0.258 18226 12535 1 37 . 1 1 3 3 GLU N N 3 122.227 122.227 119.900 2.327 18226 12536 1 37 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.298 0.035 18226 12537 1 37 . 1 1 3 3 GLU C C 3 176.636 176.636 176.368 0.268 18226 12538 1 37 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.179 0.309 18226 12539 1 37 . 1 1 3 3 GLU CB C 3 29.757 29.757 28.109 1.648 18226 12540 1 37 . 1 1 3 3 GLU H H 3 8.550 8.550 8.575 -0.025 18226 12541 1 37 . 1 1 4 4 GLY N N 4 110.108 110.108 109.662 0.446 18226 12542 1 37 . 1 1 4 4 GLY C C 4 174.548 174.548 174.293 0.255 18226 12543 1 37 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.789 0.686 18226 12544 1 37 . 1 1 4 4 GLY H H 4 8.453 8.453 8.496 -0.043 18226 12545 1 37 . 1 1 5 5 GLY N N 5 108.466 108.466 109.502 -1.036 18226 12546 1 37 . 1 1 5 5 GLY C C 5 173.790 173.790 173.849 -0.059 18226 12547 1 37 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.241 0.123 18226 12548 1 37 . 1 1 5 5 GLY H H 5 8.168 8.168 7.880 0.288 18226 12549 1 37 . 1 1 6 6 ASP N N 6 119.764 119.764 119.023 0.741 18226 12550 1 37 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.733 -0.150 18226 12551 1 37 . 1 1 6 6 ASP C C 6 175.811 175.811 175.507 0.304 18226 12552 1 37 . 1 1 6 6 ASP CA C 6 53.992 53.992 53.564 0.428 18226 12553 1 37 . 1 1 6 6 ASP CB C 6 40.257 40.257 43.176 -2.919 18226 12554 1 37 . 1 1 6 6 ASP H H 6 8.187 8.187 8.406 -0.219 18226 12555 1 37 . 1 1 7 7 PHE N N 7 119.941 119.941 120.538 -0.597 18226 12556 1 37 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.158 0.408 18226 12557 1 37 . 1 1 7 7 PHE C C 7 175.636 175.636 173.629 2.007 18226 12558 1 37 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.891 -0.820 18226 12559 1 37 . 1 1 7 7 PHE CB C 7 39.319 39.319 38.311 1.008 18226 12560 1 37 . 1 1 7 7 PHE H H 7 8.103 8.103 7.928 0.175 18226 12561 1 37 . 1 1 8 8 ASP N N 8 120.418 120.418 120.392 0.026 18226 12562 1 37 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.592 -0.055 18226 12563 1 37 . 1 1 8 8 ASP C C 8 175.548 175.548 174.719 0.829 18226 12564 1 37 . 1 1 8 8 ASP CA C 8 54.373 54.373 53.705 0.669 18226 12565 1 37 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.982 -0.596 18226 12566 1 37 . 1 1 8 8 ASP H H 8 8.177 8.177 8.272 -0.095 18226 12567 1 37 . 1 1 9 9 ASN N N 9 118.260 118.260 116.994 1.266 18226 12568 1 37 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.295 0.292 18226 12569 1 37 . 1 1 9 9 ASN C C 9 174.782 174.782 173.718 1.064 18226 12570 1 37 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.099 0.298 18226 12571 1 37 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.269 -0.507 18226 12572 1 37 . 1 1 9 9 ASN H H 9 8.057 8.057 7.687 0.370 18226 12573 1 37 . 1 1 10 10 TYR N N 10 120.145 120.145 117.961 2.184 18226 12574 1 37 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.356 0.083 18226 12575 1 37 . 1 1 10 10 TYR C C 10 175.520 175.520 174.393 1.127 18226 12576 1 37 . 1 1 10 10 TYR CA C 10 58.369 58.369 56.835 1.534 18226 12577 1 37 . 1 1 10 10 TYR CB C 10 38.749 38.749 37.744 1.005 18226 12578 1 37 . 1 1 10 10 TYR H H 10 7.951 7.951 7.303 0.648 18226 12579 1 37 . 1 1 11 11 TYR N N 11 121.223 121.223 115.590 5.633 18226 12580 1 37 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.063 0.436 18226 12581 1 37 . 1 1 11 11 TYR C C 11 175.974 175.974 175.511 0.463 18226 12582 1 37 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.504 -0.431 18226 12583 1 37 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.781 2.890 18226 12584 1 37 . 1 1 11 11 TYR H H 11 7.971 7.971 7.183 0.788 18226 12585 1 37 . 1 1 12 12 GLY N N 12 109.861 109.861 103.696 6.165 18226 12586 1 37 . 1 1 12 12 GLY C C 12 173.775 173.775 174.285 -0.510 18226 12587 1 37 . 1 1 12 12 GLY CA C 12 45.380 45.380 44.462 0.918 18226 12588 1 37 . 1 1 12 12 GLY H H 12 7.769 7.769 7.679 0.090 18226 12589 1 37 . 1 1 13 13 ALA N N 13 123.378 123.378 121.186 2.192 18226 12590 1 37 . 1 1 13 13 ALA HA H 13 4.302 4.302 3.869 0.433 18226 12591 1 37 . 1 1 13 13 ALA C C 13 177.509 177.509 177.266 0.243 18226 12592 1 37 . 1 1 13 13 ALA CA C 13 52.627 52.627 53.613 -0.986 18226 12593 1 37 . 1 1 13 13 ALA CB C 13 19.444 19.444 18.108 1.336 18226 12594 1 37 . 1 1 13 13 ALA H H 13 7.975 7.975 7.919 0.056 18226 12595 1 37 . 1 1 14 14 ASP N N 14 118.494 118.494 115.505 2.989 18226 12596 1 37 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.368 0.266 18226 12597 1 37 . 1 1 14 14 ASP C C 14 175.747 175.747 174.801 0.946 18226 12598 1 37 . 1 1 14 14 ASP CA C 14 54.002 54.002 55.882 -1.880 18226 12599 1 37 . 1 1 14 14 ASP CB C 14 40.162 40.162 39.335 0.827 18226 12600 1 37 . 1 1 14 14 ASP H H 14 8.307 8.307 8.644 -0.337 18226 12601 1 37 . 1 1 15 15 ASN N N 15 118.834 118.834 117.694 1.140 18226 12602 1 37 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.968 -0.306 18226 12603 1 37 . 1 1 15 15 ASN C C 15 175.258 175.258 174.856 0.402 18226 12604 1 37 . 1 1 15 15 ASN CA C 15 53.515 53.515 52.951 0.564 18226 12605 1 37 . 1 1 15 15 ASN CB C 15 38.757 38.757 39.808 -1.051 18226 12606 1 37 . 1 1 15 15 ASN H H 15 8.221 8.221 8.061 0.160 18226 12607 1 37 . 1 1 16 16 GLN N N 16 120.413 120.413 122.361 -1.948 18226 12608 1 37 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.228 0.127 18226 12609 1 37 . 1 1 16 16 GLN C C 16 176.096 176.096 175.399 0.697 18226 12610 1 37 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.465 -1.225 18226 12611 1 37 . 1 1 16 16 GLN CB C 16 29.370 29.370 27.068 2.302 18226 12612 1 37 . 1 1 16 16 GLN H H 16 8.295 8.295 8.911 -0.616 18226 12613 1 37 . 1 1 17 17 SER N N 17 116.692 116.692 114.264 2.428 18226 12614 1 37 . 1 1 17 17 SER HA H 17 4.428 4.428 4.359 0.069 18226 12615 1 37 . 1 1 17 17 SER C C 17 174.523 174.523 173.714 0.809 18226 12616 1 37 . 1 1 17 17 SER CA C 17 58.683 58.683 58.882 -0.199 18226 12617 1 37 . 1 1 17 17 SER CB C 17 63.794 63.794 63.864 -0.070 18226 12618 1 37 . 1 1 17 17 SER H H 17 8.267 8.267 8.344 -0.077 18226 12619 1 37 . 1 1 18 18 GLU N N 18 122.142 122.142 121.610 0.532 18226 12620 1 37 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.173 0.190 18226 12621 1 37 . 1 1 18 18 GLU C C 18 175.937 175.937 176.735 -0.798 18226 12622 1 37 . 1 1 18 18 GLU CA C 18 56.305 56.305 56.512 -0.207 18226 12623 1 37 . 1 1 18 18 GLU CB C 18 29.506 29.506 29.130 0.376 18226 12624 1 37 . 1 1 18 18 GLU H H 18 8.330 8.330 8.627 -0.297 18226 12625 1 37 . 1 1 19 19 CYS N N 19 120.077 120.077 119.047 1.030 18226 12626 1 37 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.316 0.116 18226 12627 1 37 . 1 1 19 19 CYS C C 19 174.442 174.442 176.842 -2.400 18226 12628 1 37 . 1 1 19 19 CYS CA C 19 58.613 58.613 60.392 -1.779 18226 12629 1 37 . 1 1 19 19 CYS CB C 19 27.999 27.999 27.122 0.877 18226 12630 1 37 . 1 1 19 19 CYS H H 19 8.276 8.276 8.821 -0.545 18226 12631 1 37 . 1 1 20 20 GLU N N 20 123.369 123.369 120.244 3.125 18226 12632 1 37 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.176 0.127 18226 12633 1 37 . 1 1 20 20 GLU C C 20 175.858 175.858 177.044 -1.186 18226 12634 1 37 . 1 1 20 20 GLU CA C 20 56.457 56.457 58.801 -2.345 18226 12635 1 37 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.210 -0.060 18226 12636 1 37 . 1 1 20 20 GLU H H 20 8.400 8.400 8.731 -0.331 18226 12637 1 37 . 1 1 21 21 TYR N N 21 119.980 119.980 115.256 4.724 18226 12638 1 37 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.591 -0.047 18226 12639 1 37 . 1 1 21 21 TYR C C 21 175.669 175.669 176.271 -0.602 18226 12640 1 37 . 1 1 21 21 TYR CA C 21 58.103 58.103 58.289 -0.186 18226 12641 1 37 . 1 1 21 21 TYR CB C 21 38.677 38.677 39.203 -0.526 18226 12642 1 37 . 1 1 21 21 TYR H H 21 7.991 7.991 8.138 -0.147 18226 12643 1 37 . 1 1 22 22 THR N N 22 113.984 113.984 109.597 4.387 18226 12644 1 37 . 1 1 22 22 THR HA H 22 4.164 4.164 4.582 -0.418 18226 12645 1 37 . 1 1 22 22 THR C C 22 174.259 174.259 174.700 -0.441 18226 12646 1 37 . 1 1 22 22 THR CA C 22 62.381 62.381 61.927 0.454 18226 12647 1 37 . 1 1 22 22 THR CB C 22 69.551 69.551 70.259 -0.708 18226 12648 1 37 . 1 1 22 22 THR H H 22 7.821 7.821 8.304 -0.483 18226 12649 1 37 . 1 1 23 23 ASP N N 23 121.930 121.930 120.847 1.083 18226 12650 1 37 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.902 -0.231 18226 12651 1 37 . 1 1 23 23 ASP C C 23 176.164 176.164 176.158 0.006 18226 12652 1 37 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.341 -0.660 18226 12653 1 37 . 1 1 23 23 ASP CB C 23 39.606 39.606 42.520 -2.914 18226 12654 1 37 . 1 1 23 23 ASP H H 23 8.106 8.106 8.171 -0.065 18226 12655 1 37 . 1 1 24 24 TRP N N 24 121.947 121.947 119.115 2.832 18226 12656 1 37 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.840 -0.358 18226 12657 1 37 . 1 1 24 24 TRP C C 24 176.496 176.496 175.815 0.681 18226 12658 1 37 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.433 0.805 18226 12659 1 37 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.093 0.096 18226 12660 1 37 . 1 1 24 24 TRP H H 24 7.991 7.991 7.842 0.149 18226 12661 1 37 . 1 1 25 25 LYS N N 25 119.673 119.673 116.994 2.679 18226 12662 1 37 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.008 -0.019 18226 12663 1 37 . 1 1 25 25 LYS C C 25 176.770 176.770 176.223 0.547 18226 12664 1 37 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.788 1.679 18226 12665 1 37 . 1 1 25 25 LYS CB C 25 31.953 31.953 30.563 1.390 18226 12666 1 37 . 1 1 25 25 LYS H H 25 7.588 7.588 7.240 0.348 18226 12667 1 37 . 1 1 26 26 SER N N 26 114.157 114.157 114.983 -0.826 18226 12668 1 37 . 1 1 26 26 SER HA H 26 4.462 4.462 4.467 -0.005 18226 12669 1 37 . 1 1 26 26 SER C C 26 175.126 175.126 175.024 0.102 18226 12670 1 37 . 1 1 26 26 SER CA C 26 58.673 58.673 58.366 0.307 18226 12671 1 37 . 1 1 26 26 SER CB C 26 63.801 63.801 63.877 -0.076 18226 12672 1 37 . 1 1 26 26 SER H H 26 7.823 7.823 7.652 0.171 18226 12673 1 37 . 1 1 27 27 SER N N 27 117.353 117.353 119.783 -2.430 18226 12674 1 37 . 1 1 27 27 SER HA H 27 4.288 4.288 4.481 -0.193 18226 12675 1 37 . 1 1 27 27 SER C C 27 175.598 175.598 175.349 0.249 18226 12676 1 37 . 1 1 27 27 SER CA C 27 60.216 60.216 58.652 1.564 18226 12677 1 37 . 1 1 27 27 SER CB C 27 63.684 63.684 62.043 1.641 18226 12678 1 37 . 1 1 27 27 SER H H 27 8.178 8.178 8.489 -0.311 18226 12679 1 37 . 1 1 28 28 GLY N N 28 110.249 110.249 108.268 1.981 18226 12680 1 37 . 1 1 28 28 GLY C C 28 174.667 174.667 173.457 1.210 18226 12681 1 37 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.627 0.649 18226 12682 1 37 . 1 1 28 28 GLY H H 28 8.359 8.359 8.154 0.205 18226 12683 1 37 . 1 1 29 29 ALA N N 29 121.959 121.959 122.529 -0.570 18226 12684 1 37 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.623 -0.295 18226 12685 1 37 . 1 1 29 29 ALA C C 29 177.873 177.873 176.824 1.049 18226 12686 1 37 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.862 0.399 18226 12687 1 37 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.933 -0.296 18226 12688 1 37 . 1 1 29 29 ALA H H 29 7.931 7.931 7.654 0.277 18226 12689 1 37 . 1 1 30 30 LEU N N 30 117.460 117.460 118.356 -0.896 18226 12690 1 37 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.398 -0.190 18226 12691 1 37 . 1 1 30 30 LEU CA C 30 57.392 57.392 56.033 1.359 18226 12692 1 37 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.028 0.577 18226 12693 1 37 . 1 1 30 30 LEU H H 30 7.924 7.924 8.116 -0.192 18226 12694 1 37 . 1 1 31 31 ILE N N 31 117.379 117.379 118.251 -0.872 18226 12695 1 37 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.415 -0.492 18226 12696 1 37 . 1 1 31 31 ILE CA C 31 66.011 66.011 62.445 3.566 18226 12697 1 37 . 1 1 31 31 ILE CB C 31 35.223 35.223 37.250 -2.027 18226 12698 1 37 . 1 1 31 31 ILE H H 31 8.100 8.100 8.126 -0.026 18226 12699 1 37 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.659 -0.341 18226 12700 1 37 . 1 1 32 32 PRO C C 32 178.706 178.706 176.475 2.231 18226 12701 1 37 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.349 2.682 18226 12702 1 37 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.942 0.325 18226 12703 1 37 . 1 1 33 33 ALA N N 33 119.040 119.040 119.382 -0.342 18226 12704 1 37 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.355 -0.160 18226 12705 1 37 . 1 1 33 33 ALA C C 33 179.052 179.052 177.395 1.657 18226 12706 1 37 . 1 1 33 33 ALA CA C 33 55.393 55.393 53.365 2.028 18226 12707 1 37 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.034 -0.503 18226 12708 1 37 . 1 1 33 33 ALA H H 33 7.462 7.462 8.066 -0.604 18226 12709 1 37 . 1 1 34 34 ILE N N 34 118.037 118.037 114.812 3.225 18226 12710 1 37 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.260 -0.538 18226 12711 1 37 . 1 1 34 34 ILE C C 34 177.827 177.827 177.169 0.658 18226 12712 1 37 . 1 1 34 34 ILE CA C 34 65.023 65.023 61.852 3.171 18226 12713 1 37 . 1 1 34 34 ILE CB C 34 37.341 37.341 38.579 -1.238 18226 12714 1 37 . 1 1 34 34 ILE H H 34 8.176 8.176 7.345 0.831 18226 12715 1 37 . 1 1 35 35 TYR N N 35 118.783 118.783 121.504 -2.721 18226 12716 1 37 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.073 0.072 18226 12717 1 37 . 1 1 35 35 TYR C C 35 178.062 178.062 178.127 -0.065 18226 12718 1 37 . 1 1 35 35 TYR CA C 35 61.548 61.548 63.312 -1.764 18226 12719 1 37 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.326 -0.584 18226 12720 1 37 . 1 1 35 35 TYR H H 35 8.306 8.306 7.518 0.788 18226 12721 1 37 . 1 1 36 36 MET N N 36 118.068 118.068 116.868 1.200 18226 12722 1 37 . 1 1 36 36 MET HA H 36 4.317 4.317 4.122 0.195 18226 12723 1 37 . 1 1 36 36 MET C C 36 178.183 178.183 178.235 -0.052 18226 12724 1 37 . 1 1 36 36 MET CA C 36 58.533 58.533 58.478 0.055 18226 12725 1 37 . 1 1 36 36 MET CB C 36 32.288 32.288 31.204 1.084 18226 12726 1 37 . 1 1 36 36 MET H H 36 8.090 8.090 8.376 -0.286 18226 12727 1 37 . 1 1 37 37 LEU N N 37 120.316 120.316 117.964 2.352 18226 12728 1 37 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.122 -0.007 18226 12729 1 37 . 1 1 37 37 LEU C C 37 178.353 178.353 178.781 -0.428 18226 12730 1 37 . 1 1 37 37 LEU CA C 37 58.330 58.330 57.665 0.665 18226 12731 1 37 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.405 0.509 18226 12732 1 37 . 1 1 37 37 LEU H H 37 8.106 8.106 8.039 0.067 18226 12733 1 37 . 1 1 38 38 VAL N N 38 118.385 118.385 118.759 -0.374 18226 12734 1 37 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.846 -0.317 18226 12735 1 37 . 1 1 38 38 VAL C C 38 178.216 178.216 177.342 0.874 18226 12736 1 37 . 1 1 38 38 VAL CA C 38 67.042 67.042 66.465 0.577 18226 12737 1 37 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.002 -0.377 18226 12738 1 37 . 1 1 38 38 VAL H H 38 8.305 8.305 7.916 0.389 18226 12739 1 37 . 1 1 39 39 PHE N N 39 120.216 120.216 118.614 1.602 18226 12740 1 37 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.458 -0.197 18226 12741 1 37 . 1 1 39 39 PHE C C 39 178.597 178.597 175.006 3.591 18226 12742 1 37 . 1 1 39 39 PHE CA C 39 61.320 61.320 59.738 1.582 18226 12743 1 37 . 1 1 39 39 PHE CB C 39 38.889 38.889 38.822 0.067 18226 12744 1 37 . 1 1 39 39 PHE H H 39 8.196 8.196 8.670 -0.474 18226 12745 1 37 . 1 1 40 40 LEU N N 40 120.772 120.772 118.311 2.461 18226 12746 1 37 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.511 -0.461 18226 12747 1 37 . 1 1 40 40 LEU C C 40 179.666 179.666 176.078 3.588 18226 12748 1 37 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.399 3.507 18226 12749 1 37 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.561 0.779 18226 12750 1 37 . 1 1 40 40 LEU H H 40 8.452 8.452 7.477 0.975 18226 12751 1 37 . 1 1 41 41 LEU N N 41 119.185 119.185 114.039 5.146 18226 12752 1 37 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.509 -0.410 18226 12753 1 37 . 1 1 41 41 LEU C C 41 178.878 178.878 177.302 1.576 18226 12754 1 37 . 1 1 41 41 LEU CA C 41 57.386 57.386 55.863 1.523 18226 12755 1 37 . 1 1 41 41 LEU CB C 41 41.855 41.855 41.957 -0.102 18226 12756 1 37 . 1 1 41 41 LEU H H 41 8.435 8.435 7.283 1.152 18226 12757 1 37 . 1 1 42 42 GLY N N 42 105.718 105.718 107.577 -1.859 18226 12758 1 37 . 1 1 42 42 GLY C C 42 174.908 174.908 174.176 0.732 18226 12759 1 37 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.161 0.481 18226 12760 1 37 . 1 1 42 42 GLY H H 42 8.208 8.208 7.941 0.267 18226 12761 1 37 . 1 1 43 43 THR N N 43 111.959 111.959 112.415 -0.456 18226 12762 1 37 . 1 1 43 43 THR HA H 43 4.348 4.348 4.175 0.173 18226 12763 1 37 . 1 1 43 43 THR C C 43 175.665 175.665 174.058 1.607 18226 12764 1 37 . 1 1 43 43 THR CA C 43 63.097 63.097 61.866 1.231 18226 12765 1 37 . 1 1 43 43 THR CB C 43 69.867 69.867 68.705 1.162 18226 12766 1 37 . 1 1 43 43 THR H H 43 7.789 7.789 7.231 0.558 18226 12767 1 37 . 1 1 44 44 THR N N 44 113.271 113.271 116.414 -3.143 18226 12768 1 37 . 1 1 44 44 THR HA H 44 4.308 4.308 3.869 0.439 18226 12769 1 37 . 1 1 44 44 THR C C 44 175.754 175.754 174.927 0.827 18226 12770 1 37 . 1 1 44 44 THR CA C 44 63.194 63.194 63.825 -0.631 18226 12771 1 37 . 1 1 44 44 THR CB C 44 70.171 70.171 67.552 2.619 18226 12772 1 37 . 1 1 44 44 THR H H 44 7.833 7.833 8.279 -0.446 18226 12773 1 37 . 1 1 45 45 GLY N N 45 109.879 109.879 108.814 1.065 18226 12774 1 37 . 1 1 45 45 GLY C C 45 175.221 175.221 175.824 -0.603 18226 12775 1 37 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.382 1.157 18226 12776 1 37 . 1 1 45 45 GLY H H 45 8.259 8.259 7.642 0.617 18226 12777 1 37 . 1 1 46 46 ASN N N 46 117.998 117.998 122.931 -4.933 18226 12778 1 37 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.407 0.205 18226 12779 1 37 . 1 1 46 46 ASN C C 46 176.215 176.215 177.085 -0.870 18226 12780 1 37 . 1 1 46 46 ASN CA C 46 54.840 54.840 56.404 -1.564 18226 12781 1 37 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.414 0.152 18226 12782 1 37 . 1 1 46 46 ASN H H 46 8.235 8.235 8.294 -0.059 18226 12783 1 37 . 1 1 47 47 GLY N N 47 106.990 106.990 105.815 1.175 18226 12784 1 37 . 1 1 47 47 GLY C C 47 174.659 174.659 174.812 -0.153 18226 12785 1 37 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.766 1.213 18226 12786 1 37 . 1 1 47 47 GLY H H 47 8.425 8.425 8.075 0.350 18226 12787 1 37 . 1 1 48 48 LEU N N 48 120.699 120.699 120.238 0.461 18226 12788 1 37 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.578 -0.278 18226 12789 1 37 . 1 1 48 48 LEU C C 48 179.482 179.482 176.809 2.673 18226 12790 1 37 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.004 2.441 18226 12791 1 37 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.210 -0.644 18226 12792 1 37 . 1 1 48 48 LEU H H 48 7.956 7.956 7.899 0.057 18226 12793 1 37 . 1 1 49 49 VAL N N 49 120.101 120.101 119.899 0.202 18226 12794 1 37 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.128 -0.249 18226 12795 1 37 . 1 1 49 49 VAL C C 49 177.535 177.535 177.433 0.102 18226 12796 1 37 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.264 1.598 18226 12797 1 37 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.419 -0.640 18226 12798 1 37 . 1 1 49 49 VAL H H 49 7.919 7.919 7.890 0.029 18226 12799 1 37 . 1 1 50 50 LEU N N 50 119.268 119.268 118.686 0.582 18226 12800 1 37 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.394 -0.351 18226 12801 1 37 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.417 0.428 18226 12802 1 37 . 1 1 50 50 LEU CB C 50 41.877 41.877 41.375 0.502 18226 12803 1 37 . 1 1 50 50 LEU H H 50 7.731 7.731 7.353 0.378 18226 12804 1 37 . 1 1 51 51 TRP N N 51 118.033 118.033 119.488 -1.455 18226 12805 1 37 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.666 -0.074 18226 12806 1 37 . 1 1 51 51 TRP C C 51 177.302 177.302 176.042 1.260 18226 12807 1 37 . 1 1 51 51 TRP CA C 51 59.789 59.789 58.789 1.000 18226 12808 1 37 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.377 0.830 18226 12809 1 37 . 1 1 51 51 TRP H H 51 8.070 8.070 8.096 -0.026 18226 12810 1 37 . 1 1 52 52 THR N N 52 113.014 113.014 113.330 -0.316 18226 12811 1 37 . 1 1 52 52 THR HA H 52 3.746 3.746 4.597 -0.851 18226 12812 1 37 . 1 1 52 52 THR C C 52 176.361 176.361 173.340 3.021 18226 12813 1 37 . 1 1 52 52 THR CA C 52 66.443 66.443 61.458 4.985 18226 12814 1 37 . 1 1 52 52 THR CB C 52 69.017 69.017 68.634 0.383 18226 12815 1 37 . 1 1 52 52 THR H H 52 8.101 8.101 7.706 0.395 18226 12816 1 37 . 1 1 53 53 VAL N N 53 120.231 120.231 120.298 -0.067 18226 12817 1 37 . 1 1 53 53 VAL HA H 53 3.678 3.678 4.094 -0.416 18226 12818 1 37 . 1 1 53 53 VAL C C 53 177.482 177.482 176.223 1.259 18226 12819 1 37 . 1 1 53 53 VAL CA C 53 66.158 66.158 64.032 2.126 18226 12820 1 37 . 1 1 53 53 VAL CB C 53 31.767 31.767 33.275 -1.508 18226 12821 1 37 . 1 1 53 53 VAL H H 53 7.905 7.905 7.483 0.422 18226 12822 1 37 . 1 1 54 54 PHE N N 54 118.609 118.609 117.866 0.743 18226 12823 1 37 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.583 -0.350 18226 12824 1 37 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.536 2.130 18226 12825 1 37 . 1 1 54 54 PHE CB C 54 39.258 39.258 39.956 -0.698 18226 12826 1 37 . 1 1 54 54 PHE H H 54 8.025 8.025 7.406 0.619 18226 12827 1 37 . 1 1 55 55 ARG N N 55 117.305 117.305 121.091 -3.786 18226 12828 1 37 . 1 1 55 55 ARG HA H 55 3.808 3.808 3.971 -0.163 18226 12829 1 37 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.780 -0.070 18226 12830 1 37 . 1 1 55 55 ARG CB C 55 29.663 29.663 29.981 -0.318 18226 12831 1 37 . 1 1 55 55 ARG H H 55 8.025 8.025 7.871 0.154 18226 12832 1 37 . 1 1 56 56 LYS N N 56 118.321 118.321 118.801 -0.480 18226 12833 1 37 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.954 0.216 18226 12834 1 37 . 1 1 56 56 LYS CA C 56 57.440 57.440 59.380 -1.940 18226 12835 1 37 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.805 1.124 18226 12836 1 37 . 1 1 56 56 LYS H H 56 7.717 7.717 8.412 -0.695 18226 12837 1 37 . 1 1 57 57 LYS N N 57 118.349 118.349 115.997 2.352 18226 12838 1 37 . 1 1 57 57 LYS HA H 57 4.289 4.289 3.962 0.327 18226 12839 1 37 . 1 1 57 57 LYS C C 57 176.891 176.891 176.988 -0.097 18226 12840 1 37 . 1 1 57 57 LYS CA C 57 56.373 56.373 56.585 -0.212 18226 12841 1 37 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.313 0.551 18226 12842 1 37 . 1 1 57 57 LYS H H 57 7.872 7.872 7.900 -0.028 18226 12843 1 37 . 1 1 58 58 GLY N N 58 107.442 107.442 106.417 1.025 18226 12844 1 37 . 1 1 58 58 GLY C C 58 173.263 173.263 174.058 -0.795 18226 12845 1 37 . 1 1 58 58 GLY CA C 58 45.557 45.557 45.113 0.444 18226 12846 1 37 . 1 1 58 58 GLY H H 58 8.060 8.060 7.835 0.225 18226 12847 1 37 . 1 1 59 59 HIS N N 59 116.928 116.928 122.788 -5.860 18226 12848 1 37 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.160 0.508 18226 12849 1 37 . 1 1 59 59 HIS C C 59 173.935 173.935 173.987 -0.052 18226 12850 1 37 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.508 -3.423 18226 12851 1 37 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.932 -0.709 18226 12852 1 37 . 1 1 59 59 HIS H H 59 8.076 8.076 8.826 -0.750 18226 12853 1 37 . 1 1 60 60 HIS N N 60 119.187 119.187 113.858 5.329 18226 12854 1 37 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.509 0.162 18226 12855 1 37 . 1 1 60 60 HIS C C 60 173.926 173.926 174.148 -0.222 18226 12856 1 37 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.802 -1.373 18226 12857 1 37 . 1 1 60 60 HIS CB C 60 29.157 29.157 32.643 -3.486 18226 12858 1 37 . 1 1 60 60 HIS H H 60 8.547 8.547 8.284 0.263 18226 12859 1 37 . 1 1 61 61 HIS N N 61 120.017 120.017 118.779 1.238 18226 12860 1 37 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.687 -0.020 18226 12861 1 37 . 1 1 61 61 HIS C C 61 173.994 173.994 174.477 -0.483 18226 12862 1 37 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.537 -0.104 18226 12863 1 37 . 1 1 61 61 HIS CB C 61 29.201 29.201 31.299 -2.098 18226 12864 1 37 . 1 1 61 61 HIS H H 61 8.662 8.662 8.191 0.471 18226 12865 1 37 . 1 1 62 62 HIS N N 62 120.463 120.463 126.481 -6.018 18226 12866 1 37 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.545 0.112 18226 12867 1 37 . 1 1 62 62 HIS C C 62 173.939 173.939 175.919 -1.980 18226 12868 1 37 . 1 1 62 62 HIS CA C 62 55.376 55.376 55.338 0.038 18226 12869 1 37 . 1 1 62 62 HIS CB C 62 29.291 29.291 27.503 1.788 18226 12870 1 37 . 1 1 62 62 HIS H H 62 8.729 8.729 8.776 -0.047 18226 12871 1 37 . 1 1 63 63 HIS N N 63 120.370 120.370 120.163 0.207 18226 12872 1 37 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.232 0.426 18226 12873 1 37 . 1 1 63 63 HIS C C 63 173.564 173.564 174.046 -0.482 18226 12874 1 37 . 1 1 63 63 HIS CA C 63 55.608 55.608 57.095 -1.487 18226 12875 1 37 . 1 1 63 63 HIS CB C 63 29.365 29.365 28.846 0.519 18226 12876 1 37 . 1 1 63 63 HIS H H 63 8.619 8.619 8.677 -0.058 18226 12877 1 38 . 1 1 2 2 GLU N N 2 123.545 123.545 122.007 1.538 18226 12878 1 38 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.178 0.208 18226 12879 1 38 . 1 1 2 2 GLU C C 2 175.742 175.742 175.761 -0.019 18226 12880 1 38 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.609 -0.247 18226 12881 1 38 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.983 -0.228 18226 12882 1 38 . 1 1 2 2 GLU H H 2 8.765 8.765 8.715 0.050 18226 12883 1 38 . 1 1 3 3 GLU N N 3 122.227 122.227 121.872 0.355 18226 12884 1 38 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.170 0.163 18226 12885 1 38 . 1 1 3 3 GLU C C 3 176.636 176.636 177.306 -0.670 18226 12886 1 38 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.944 -0.457 18226 12887 1 38 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.832 -0.075 18226 12888 1 38 . 1 1 3 3 GLU H H 3 8.550 8.550 8.683 -0.133 18226 12889 1 38 . 1 1 4 4 GLY N N 4 110.108 110.108 108.215 1.893 18226 12890 1 38 . 1 1 4 4 GLY C C 4 174.548 174.548 174.356 0.192 18226 12891 1 38 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.685 0.790 18226 12892 1 38 . 1 1 4 4 GLY H H 4 8.453 8.453 8.222 0.231 18226 12893 1 38 . 1 1 5 5 GLY N N 5 108.466 108.466 108.427 0.039 18226 12894 1 38 . 1 1 5 5 GLY C C 5 173.790 173.790 172.914 0.876 18226 12895 1 38 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.408 -0.044 18226 12896 1 38 . 1 1 5 5 GLY H H 5 8.168 8.168 7.977 0.191 18226 12897 1 38 . 1 1 6 6 ASP N N 6 119.764 119.764 118.868 0.896 18226 12898 1 38 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.141 0.442 18226 12899 1 38 . 1 1 6 6 ASP C C 6 175.811 175.811 174.755 1.056 18226 12900 1 38 . 1 1 6 6 ASP CA C 6 53.992 53.992 53.989 0.003 18226 12901 1 38 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.533 -1.276 18226 12902 1 38 . 1 1 6 6 ASP H H 6 8.187 8.187 7.306 0.881 18226 12903 1 38 . 1 1 7 7 PHE N N 7 119.941 119.941 116.271 3.670 18226 12904 1 38 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.266 0.300 18226 12905 1 38 . 1 1 7 7 PHE C C 7 175.636 175.636 173.671 1.965 18226 12906 1 38 . 1 1 7 7 PHE CA C 7 58.071 58.071 57.280 0.791 18226 12907 1 38 . 1 1 7 7 PHE CB C 7 39.319 39.319 36.582 2.737 18226 12908 1 38 . 1 1 7 7 PHE H H 7 8.103 8.103 7.948 0.155 18226 12909 1 38 . 1 1 8 8 ASP N N 8 120.418 120.418 117.450 2.968 18226 12910 1 38 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.703 -0.166 18226 12911 1 38 . 1 1 8 8 ASP C C 8 175.548 175.548 175.178 0.370 18226 12912 1 38 . 1 1 8 8 ASP CA C 8 54.373 54.373 53.384 0.989 18226 12913 1 38 . 1 1 8 8 ASP CB C 8 40.386 40.386 39.795 0.591 18226 12914 1 38 . 1 1 8 8 ASP H H 8 8.177 8.177 8.225 -0.048 18226 12915 1 38 . 1 1 9 9 ASN N N 9 118.260 118.260 118.637 -0.377 18226 12916 1 38 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.771 -0.184 18226 12917 1 38 . 1 1 9 9 ASN C C 9 174.782 174.782 175.036 -0.254 18226 12918 1 38 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.791 -0.394 18226 12919 1 38 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.308 -0.546 18226 12920 1 38 . 1 1 9 9 ASN H H 9 8.057 8.057 7.823 0.234 18226 12921 1 38 . 1 1 10 10 TYR N N 10 120.145 120.145 118.786 1.359 18226 12922 1 38 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.258 0.181 18226 12923 1 38 . 1 1 10 10 TYR C C 10 175.520 175.520 173.668 1.852 18226 12924 1 38 . 1 1 10 10 TYR CA C 10 58.369 58.369 59.480 -1.111 18226 12925 1 38 . 1 1 10 10 TYR CB C 10 38.749 38.749 36.794 1.955 18226 12926 1 38 . 1 1 10 10 TYR H H 10 7.951 7.951 8.720 -0.769 18226 12927 1 38 . 1 1 11 11 TYR N N 11 121.223 121.223 120.020 1.203 18226 12928 1 38 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.576 -0.077 18226 12929 1 38 . 1 1 11 11 TYR C C 11 175.974 175.974 174.673 1.301 18226 12930 1 38 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.911 0.162 18226 12931 1 38 . 1 1 11 11 TYR CB C 11 38.671 38.671 40.245 -1.574 18226 12932 1 38 . 1 1 11 11 TYR H H 11 7.971 7.971 7.785 0.186 18226 12933 1 38 . 1 1 12 12 GLY N N 12 109.861 109.861 110.571 -0.710 18226 12934 1 38 . 1 1 12 12 GLY C C 12 173.775 173.775 173.318 0.457 18226 12935 1 38 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.897 -0.517 18226 12936 1 38 . 1 1 12 12 GLY H H 12 7.769 7.769 8.450 -0.681 18226 12937 1 38 . 1 1 13 13 ALA N N 13 123.378 123.378 123.239 0.139 18226 12938 1 38 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.216 0.086 18226 12939 1 38 . 1 1 13 13 ALA C C 13 177.509 177.509 175.956 1.553 18226 12940 1 38 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.356 0.271 18226 12941 1 38 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.303 0.141 18226 12942 1 38 . 1 1 13 13 ALA H H 13 7.975 7.975 7.813 0.162 18226 12943 1 38 . 1 1 14 14 ASP N N 14 118.494 118.494 120.419 -1.925 18226 12944 1 38 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.302 0.332 18226 12945 1 38 . 1 1 14 14 ASP C C 14 175.747 175.747 174.692 1.055 18226 12946 1 38 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.268 -0.266 18226 12947 1 38 . 1 1 14 14 ASP CB C 14 40.162 40.162 39.587 0.575 18226 12948 1 38 . 1 1 14 14 ASP H H 14 8.307 8.307 8.470 -0.163 18226 12949 1 38 . 1 1 15 15 ASN N N 15 118.834 118.834 116.379 2.455 18226 12950 1 38 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.386 0.276 18226 12951 1 38 . 1 1 15 15 ASN C C 15 175.258 175.258 174.543 0.715 18226 12952 1 38 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.727 -0.212 18226 12953 1 38 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.561 0.196 18226 12954 1 38 . 1 1 15 15 ASN H H 15 8.221 8.221 8.395 -0.174 18226 12955 1 38 . 1 1 16 16 GLN N N 16 120.413 120.413 122.416 -2.003 18226 12956 1 38 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.386 -0.031 18226 12957 1 38 . 1 1 16 16 GLN C C 16 176.096 176.096 176.151 -0.055 18226 12958 1 38 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.066 -0.826 18226 12959 1 38 . 1 1 16 16 GLN CB C 16 29.370 29.370 29.524 -0.154 18226 12960 1 38 . 1 1 16 16 GLN H H 16 8.295 8.295 8.767 -0.472 18226 12961 1 38 . 1 1 17 17 SER N N 17 116.692 116.692 113.887 2.805 18226 12962 1 38 . 1 1 17 17 SER HA H 17 4.428 4.428 4.461 -0.033 18226 12963 1 38 . 1 1 17 17 SER C C 17 174.523 174.523 173.886 0.637 18226 12964 1 38 . 1 1 17 17 SER CA C 17 58.683 58.683 58.331 0.352 18226 12965 1 38 . 1 1 17 17 SER CB C 17 63.794 63.794 63.940 -0.146 18226 12966 1 38 . 1 1 17 17 SER H H 17 8.267 8.267 7.948 0.319 18226 12967 1 38 . 1 1 18 18 GLU N N 18 122.142 122.142 119.457 2.685 18226 12968 1 38 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.122 0.241 18226 12969 1 38 . 1 1 18 18 GLU C C 18 175.937 175.937 175.506 0.431 18226 12970 1 38 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.158 -0.853 18226 12971 1 38 . 1 1 18 18 GLU CB C 18 29.506 29.506 29.343 0.164 18226 12972 1 38 . 1 1 18 18 GLU H H 18 8.330 8.330 8.434 -0.104 18226 12973 1 38 . 1 1 19 19 CYS N N 19 120.077 120.077 117.499 2.578 18226 12974 1 38 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.551 -0.119 18226 12975 1 38 . 1 1 19 19 CYS C C 19 174.442 174.442 175.389 -0.947 18226 12976 1 38 . 1 1 19 19 CYS CA C 19 58.613 58.613 59.873 -1.260 18226 12977 1 38 . 1 1 19 19 CYS CB C 19 27.999 27.999 28.191 -0.192 18226 12978 1 38 . 1 1 19 19 CYS H H 19 8.276 8.276 8.171 0.105 18226 12979 1 38 . 1 1 20 20 GLU N N 20 123.369 123.369 122.364 1.005 18226 12980 1 38 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.368 -0.065 18226 12981 1 38 . 1 1 20 20 GLU C C 20 175.858 175.858 175.271 0.587 18226 12982 1 38 . 1 1 20 20 GLU CA C 20 56.457 56.457 57.158 -0.701 18226 12983 1 38 . 1 1 20 20 GLU CB C 20 29.150 29.150 27.049 2.100 18226 12984 1 38 . 1 1 20 20 GLU H H 20 8.400 8.400 8.793 -0.393 18226 12985 1 38 . 1 1 21 21 TYR N N 21 119.980 119.980 119.531 0.449 18226 12986 1 38 . 1 1 21 21 TYR HA H 21 4.544 4.544 5.004 -0.460 18226 12987 1 38 . 1 1 21 21 TYR C C 21 175.669 175.669 174.869 0.800 18226 12988 1 38 . 1 1 21 21 TYR CA C 21 58.103 58.103 58.771 -0.668 18226 12989 1 38 . 1 1 21 21 TYR CB C 21 38.677 38.677 40.724 -2.047 18226 12990 1 38 . 1 1 21 21 TYR H H 21 7.991 7.991 8.767 -0.776 18226 12991 1 38 . 1 1 22 22 THR N N 22 113.984 113.984 115.155 -1.171 18226 12992 1 38 . 1 1 22 22 THR HA H 22 4.164 4.164 4.296 -0.132 18226 12993 1 38 . 1 1 22 22 THR C C 22 174.259 174.259 174.068 0.191 18226 12994 1 38 . 1 1 22 22 THR CA C 22 62.381 62.381 64.077 -1.696 18226 12995 1 38 . 1 1 22 22 THR CB C 22 69.551 69.551 69.850 -0.299 18226 12996 1 38 . 1 1 22 22 THR H H 22 7.821 7.821 8.092 -0.271 18226 12997 1 38 . 1 1 23 23 ASP N N 23 121.930 121.930 122.676 -0.746 18226 12998 1 38 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.676 -0.005 18226 12999 1 38 . 1 1 23 23 ASP C C 23 176.164 176.164 176.841 -0.677 18226 13000 1 38 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.527 -0.846 18226 13001 1 38 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.252 -1.646 18226 13002 1 38 . 1 1 23 23 ASP H H 23 8.106 8.106 7.845 0.261 18226 13003 1 38 . 1 1 24 24 TRP N N 24 121.947 121.947 117.943 4.004 18226 13004 1 38 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.783 -0.301 18226 13005 1 38 . 1 1 24 24 TRP C C 24 176.496 176.496 175.394 1.102 18226 13006 1 38 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.627 0.611 18226 13007 1 38 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.645 -0.456 18226 13008 1 38 . 1 1 24 24 TRP H H 24 7.991 7.991 7.793 0.198 18226 13009 1 38 . 1 1 25 25 LYS N N 25 119.673 119.673 118.214 1.459 18226 13010 1 38 . 1 1 25 25 LYS HA H 25 3.989 3.989 3.924 0.065 18226 13011 1 38 . 1 1 25 25 LYS C C 25 176.770 176.770 178.056 -1.286 18226 13012 1 38 . 1 1 25 25 LYS CA C 25 57.467 57.467 56.206 1.261 18226 13013 1 38 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.532 0.421 18226 13014 1 38 . 1 1 25 25 LYS H H 25 7.588 7.588 6.786 0.802 18226 13015 1 38 . 1 1 26 26 SER N N 26 114.157 114.157 117.128 -2.971 18226 13016 1 38 . 1 1 26 26 SER HA H 26 4.462 4.462 3.987 0.475 18226 13017 1 38 . 1 1 26 26 SER C C 26 175.126 175.126 175.514 -0.388 18226 13018 1 38 . 1 1 26 26 SER CA C 26 58.673 58.673 61.335 -2.662 18226 13019 1 38 . 1 1 26 26 SER CB C 26 63.801 63.801 62.729 1.072 18226 13020 1 38 . 1 1 26 26 SER H H 26 7.823 7.823 7.643 0.180 18226 13021 1 38 . 1 1 27 27 SER N N 27 117.353 117.353 115.239 2.114 18226 13022 1 38 . 1 1 27 27 SER HA H 27 4.288 4.288 4.462 -0.174 18226 13023 1 38 . 1 1 27 27 SER C C 27 175.598 175.598 174.534 1.064 18226 13024 1 38 . 1 1 27 27 SER CA C 27 60.216 60.216 57.353 2.863 18226 13025 1 38 . 1 1 27 27 SER CB C 27 63.684 63.684 61.653 2.031 18226 13026 1 38 . 1 1 27 27 SER H H 27 8.178 8.178 8.109 0.069 18226 13027 1 38 . 1 1 28 28 GLY N N 28 110.249 110.249 107.573 2.676 18226 13028 1 38 . 1 1 28 28 GLY C C 28 174.667 174.667 173.281 1.386 18226 13029 1 38 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.516 0.760 18226 13030 1 38 . 1 1 28 28 GLY H H 28 8.359 8.359 8.050 0.309 18226 13031 1 38 . 1 1 29 29 ALA N N 29 121.959 121.959 121.896 0.063 18226 13032 1 38 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.488 -0.160 18226 13033 1 38 . 1 1 29 29 ALA C C 29 177.873 177.873 176.300 1.573 18226 13034 1 38 . 1 1 29 29 ALA CA C 29 53.261 53.261 53.069 0.192 18226 13035 1 38 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.829 -0.192 18226 13036 1 38 . 1 1 29 29 ALA H H 29 7.931 7.931 7.816 0.115 18226 13037 1 38 . 1 1 30 30 LEU N N 30 117.460 117.460 113.088 4.372 18226 13038 1 38 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.486 -0.278 18226 13039 1 38 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.745 1.647 18226 13040 1 38 . 1 1 30 30 LEU CB C 30 42.605 42.605 41.955 0.650 18226 13041 1 38 . 1 1 30 30 LEU H H 30 7.924 7.924 7.738 0.186 18226 13042 1 38 . 1 1 31 31 ILE N N 31 117.379 117.379 122.433 -5.054 18226 13043 1 38 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.399 -0.476 18226 13044 1 38 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.361 2.650 18226 13045 1 38 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.449 -1.226 18226 13046 1 38 . 1 1 31 31 ILE H H 31 8.100 8.100 8.151 -0.051 18226 13047 1 38 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.586 -0.268 18226 13048 1 38 . 1 1 32 32 PRO C C 32 178.706 178.706 175.767 2.939 18226 13049 1 38 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.319 2.712 18226 13050 1 38 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.312 0.955 18226 13051 1 38 . 1 1 33 33 ALA N N 33 119.040 119.040 121.158 -2.118 18226 13052 1 38 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.494 -0.299 18226 13053 1 38 . 1 1 33 33 ALA C C 33 179.052 179.052 177.063 1.989 18226 13054 1 38 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.376 3.017 18226 13055 1 38 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.203 -1.672 18226 13056 1 38 . 1 1 33 33 ALA H H 33 7.462 7.462 8.086 -0.624 18226 13057 1 38 . 1 1 34 34 ILE N N 34 118.037 118.037 112.978 5.059 18226 13058 1 38 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.276 -0.554 18226 13059 1 38 . 1 1 34 34 ILE C C 34 177.827 177.827 176.595 1.232 18226 13060 1 38 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.035 2.988 18226 13061 1 38 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.566 -2.225 18226 13062 1 38 . 1 1 34 34 ILE H H 34 8.176 8.176 7.416 0.760 18226 13063 1 38 . 1 1 35 35 TYR N N 35 118.783 118.783 120.213 -1.430 18226 13064 1 38 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.419 -0.274 18226 13065 1 38 . 1 1 35 35 TYR C C 35 178.062 178.062 175.641 2.421 18226 13066 1 38 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.049 1.499 18226 13067 1 38 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.755 -0.013 18226 13068 1 38 . 1 1 35 35 TYR H H 35 8.306 8.306 7.837 0.469 18226 13069 1 38 . 1 1 36 36 MET N N 36 118.068 118.068 116.155 1.913 18226 13070 1 38 . 1 1 36 36 MET HA H 36 4.317 4.317 4.710 -0.393 18226 13071 1 38 . 1 1 36 36 MET C C 36 178.183 178.183 177.180 1.003 18226 13072 1 38 . 1 1 36 36 MET CA C 36 58.533 58.533 56.260 2.273 18226 13073 1 38 . 1 1 36 36 MET CB C 36 32.288 32.288 32.818 -0.530 18226 13074 1 38 . 1 1 36 36 MET H H 36 8.090 8.090 7.862 0.228 18226 13075 1 38 . 1 1 37 37 LEU N N 37 120.316 120.316 120.186 0.130 18226 13076 1 38 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.155 -0.040 18226 13077 1 38 . 1 1 37 37 LEU C C 37 178.353 178.353 177.313 1.040 18226 13078 1 38 . 1 1 37 37 LEU CA C 37 58.330 58.330 57.120 1.210 18226 13079 1 38 . 1 1 37 37 LEU CB C 37 41.914 41.914 40.958 0.957 18226 13080 1 38 . 1 1 37 37 LEU H H 37 8.106 8.106 8.276 -0.170 18226 13081 1 38 . 1 1 38 38 VAL N N 38 118.385 118.385 116.581 1.804 18226 13082 1 38 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.946 -0.417 18226 13083 1 38 . 1 1 38 38 VAL C C 38 178.216 178.216 177.051 1.165 18226 13084 1 38 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.624 3.418 18226 13085 1 38 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.514 -0.888 18226 13086 1 38 . 1 1 38 38 VAL H H 38 8.305 8.305 7.315 0.990 18226 13087 1 38 . 1 1 39 39 PHE N N 39 120.216 120.216 121.732 -1.516 18226 13088 1 38 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.226 0.035 18226 13089 1 38 . 1 1 39 39 PHE C C 39 178.597 178.597 177.079 1.518 18226 13090 1 38 . 1 1 39 39 PHE CA C 39 61.320 61.320 62.596 -1.276 18226 13091 1 38 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.241 -0.352 18226 13092 1 38 . 1 1 39 39 PHE H H 39 8.196 8.196 8.185 0.011 18226 13093 1 38 . 1 1 40 40 LEU N N 40 120.772 120.772 119.070 1.702 18226 13094 1 38 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.316 -0.266 18226 13095 1 38 . 1 1 40 40 LEU C C 40 179.666 179.666 175.728 3.938 18226 13096 1 38 . 1 1 40 40 LEU CA C 40 57.906 57.906 55.028 2.878 18226 13097 1 38 . 1 1 40 40 LEU CB C 40 42.340 42.340 39.966 2.374 18226 13098 1 38 . 1 1 40 40 LEU H H 40 8.452 8.452 8.242 0.210 18226 13099 1 38 . 1 1 41 41 LEU N N 41 119.185 119.185 121.645 -2.460 18226 13100 1 38 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.519 -0.420 18226 13101 1 38 . 1 1 41 41 LEU C C 41 178.878 178.878 177.226 1.652 18226 13102 1 38 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.310 1.076 18226 13103 1 38 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.733 -1.878 18226 13104 1 38 . 1 1 41 41 LEU H H 41 8.435 8.435 7.901 0.534 18226 13105 1 38 . 1 1 42 42 GLY N N 42 105.718 105.718 107.109 -1.391 18226 13106 1 38 . 1 1 42 42 GLY C C 42 174.908 174.908 174.555 0.353 18226 13107 1 38 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.200 0.442 18226 13108 1 38 . 1 1 42 42 GLY H H 42 8.208 8.208 8.387 -0.179 18226 13109 1 38 . 1 1 43 43 THR N N 43 111.959 111.959 113.332 -1.373 18226 13110 1 38 . 1 1 43 43 THR HA H 43 4.348 4.348 4.222 0.126 18226 13111 1 38 . 1 1 43 43 THR C C 43 175.665 175.665 174.109 1.556 18226 13112 1 38 . 1 1 43 43 THR CA C 43 63.097 63.097 63.315 -0.218 18226 13113 1 38 . 1 1 43 43 THR CB C 43 69.867 69.867 69.167 0.700 18226 13114 1 38 . 1 1 43 43 THR H H 43 7.789 7.789 7.484 0.305 18226 13115 1 38 . 1 1 44 44 THR N N 44 113.271 113.271 114.857 -1.586 18226 13116 1 38 . 1 1 44 44 THR HA H 44 4.308 4.308 3.911 0.397 18226 13117 1 38 . 1 1 44 44 THR C C 44 175.754 175.754 175.366 0.388 18226 13118 1 38 . 1 1 44 44 THR CA C 44 63.194 63.194 63.720 -0.526 18226 13119 1 38 . 1 1 44 44 THR CB C 44 70.171 70.171 68.187 1.984 18226 13120 1 38 . 1 1 44 44 THR H H 44 7.833 7.833 7.801 0.033 18226 13121 1 38 . 1 1 45 45 GLY N N 45 109.879 109.879 108.130 1.749 18226 13122 1 38 . 1 1 45 45 GLY C C 45 175.221 175.221 175.034 0.187 18226 13123 1 38 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.222 1.317 18226 13124 1 38 . 1 1 45 45 GLY H H 45 8.259 8.259 7.741 0.518 18226 13125 1 38 . 1 1 46 46 ASN N N 46 117.998 117.998 119.466 -1.468 18226 13126 1 38 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.802 -0.190 18226 13127 1 38 . 1 1 46 46 ASN C C 46 176.215 176.215 176.571 -0.356 18226 13128 1 38 . 1 1 46 46 ASN CA C 46 54.840 54.840 53.272 1.568 18226 13129 1 38 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.874 -0.308 18226 13130 1 38 . 1 1 46 46 ASN H H 46 8.235 8.235 8.565 -0.330 18226 13131 1 38 . 1 1 47 47 GLY N N 47 106.990 106.990 106.599 0.391 18226 13132 1 38 . 1 1 47 47 GLY C C 47 174.659 174.659 174.886 -0.227 18226 13133 1 38 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.451 1.528 18226 13134 1 38 . 1 1 47 47 GLY H H 47 8.425 8.425 7.702 0.723 18226 13135 1 38 . 1 1 48 48 LEU N N 48 120.699 120.699 115.419 5.280 18226 13136 1 38 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.892 -0.592 18226 13137 1 38 . 1 1 48 48 LEU C C 48 179.482 179.482 176.048 3.434 18226 13138 1 38 . 1 1 48 48 LEU CA C 48 57.445 57.445 54.856 2.589 18226 13139 1 38 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.937 -1.371 18226 13140 1 38 . 1 1 48 48 LEU H H 48 7.956 7.956 7.225 0.731 18226 13141 1 38 . 1 1 49 49 VAL N N 49 120.101 120.101 118.033 2.068 18226 13142 1 38 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.172 -0.293 18226 13143 1 38 . 1 1 49 49 VAL C C 49 177.535 177.535 175.656 1.879 18226 13144 1 38 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.344 2.518 18226 13145 1 38 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.389 -0.610 18226 13146 1 38 . 1 1 49 49 VAL H H 49 7.919 7.919 7.621 0.298 18226 13147 1 38 . 1 1 50 50 LEU N N 50 119.268 119.268 122.020 -2.752 18226 13148 1 38 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.691 -0.648 18226 13149 1 38 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.626 1.219 18226 13150 1 38 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.862 -0.985 18226 13151 1 38 . 1 1 50 50 LEU H H 50 7.731 7.731 7.663 0.068 18226 13152 1 38 . 1 1 51 51 TRP N N 51 118.033 118.033 123.873 -5.840 18226 13153 1 38 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.545 0.047 18226 13154 1 38 . 1 1 51 51 TRP C C 51 177.302 177.302 176.188 1.114 18226 13155 1 38 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.577 0.212 18226 13156 1 38 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.021 1.186 18226 13157 1 38 . 1 1 51 51 TRP H H 51 8.070 8.070 8.141 -0.071 18226 13158 1 38 . 1 1 52 52 THR N N 52 113.014 113.014 115.086 -2.072 18226 13159 1 38 . 1 1 52 52 THR HA H 52 3.746 3.746 3.771 -0.025 18226 13160 1 38 . 1 1 52 52 THR C C 52 176.361 176.361 174.672 1.689 18226 13161 1 38 . 1 1 52 52 THR CA C 52 66.443 66.443 62.071 4.372 18226 13162 1 38 . 1 1 52 52 THR CB C 52 69.017 69.017 68.262 0.755 18226 13163 1 38 . 1 1 52 52 THR H H 52 8.101 8.101 7.871 0.230 18226 13164 1 38 . 1 1 53 53 VAL N N 53 120.231 120.231 121.938 -1.707 18226 13165 1 38 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.733 -0.055 18226 13166 1 38 . 1 1 53 53 VAL C C 53 177.482 177.482 176.939 0.543 18226 13167 1 38 . 1 1 53 53 VAL CA C 53 66.158 66.158 66.172 -0.014 18226 13168 1 38 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.649 0.117 18226 13169 1 38 . 1 1 53 53 VAL H H 53 7.905 7.905 7.638 0.267 18226 13170 1 38 . 1 1 54 54 PHE N N 54 118.609 118.609 116.498 2.111 18226 13171 1 38 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.367 -0.134 18226 13172 1 38 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.076 2.590 18226 13173 1 38 . 1 1 54 54 PHE CB C 54 39.258 39.258 39.130 0.128 18226 13174 1 38 . 1 1 54 54 PHE H H 54 8.025 8.025 7.721 0.304 18226 13175 1 38 . 1 1 55 55 ARG N N 55 117.305 117.305 119.921 -2.616 18226 13176 1 38 . 1 1 55 55 ARG HA H 55 3.808 3.808 3.191 0.617 18226 13177 1 38 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.513 0.197 18226 13178 1 38 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.132 -0.469 18226 13179 1 38 . 1 1 55 55 ARG H H 55 8.025 8.025 6.865 1.160 18226 13180 1 38 . 1 1 56 56 LYS N N 56 118.321 118.321 119.005 -0.684 18226 13181 1 38 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.072 0.098 18226 13182 1 38 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.618 -1.178 18226 13183 1 38 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.979 0.950 18226 13184 1 38 . 1 1 56 56 LYS H H 56 7.717 7.717 8.113 -0.396 18226 13185 1 38 . 1 1 57 57 LYS N N 57 118.349 118.349 116.157 2.192 18226 13186 1 38 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.261 0.028 18226 13187 1 38 . 1 1 57 57 LYS C C 57 176.891 176.891 176.440 0.451 18226 13188 1 38 . 1 1 57 57 LYS CA C 57 56.373 56.373 55.228 1.145 18226 13189 1 38 . 1 1 57 57 LYS CB C 57 32.864 32.864 31.956 0.908 18226 13190 1 38 . 1 1 57 57 LYS H H 57 7.872 7.872 7.478 0.394 18226 13191 1 38 . 1 1 58 58 GLY N N 58 107.442 107.442 106.223 1.219 18226 13192 1 38 . 1 1 58 58 GLY C C 58 173.263 173.263 174.086 -0.823 18226 13193 1 38 . 1 1 58 58 GLY CA C 58 45.557 45.557 45.408 0.149 18226 13194 1 38 . 1 1 58 58 GLY H H 58 8.060 8.060 7.756 0.304 18226 13195 1 38 . 1 1 59 59 HIS N N 59 116.928 116.928 119.468 -2.540 18226 13196 1 38 . 1 1 59 59 HIS HA H 59 4.668 4.668 3.600 1.068 18226 13197 1 38 . 1 1 59 59 HIS C C 59 173.935 173.935 174.337 -0.402 18226 13198 1 38 . 1 1 59 59 HIS CA C 59 55.085 55.085 59.173 -4.088 18226 13199 1 38 . 1 1 59 59 HIS CB C 59 29.223 29.223 28.849 0.374 18226 13200 1 38 . 1 1 59 59 HIS H H 59 8.076 8.076 8.086 -0.010 18226 13201 1 38 . 1 1 60 60 HIS N N 60 119.187 119.187 115.056 4.131 18226 13202 1 38 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.749 -0.078 18226 13203 1 38 . 1 1 60 60 HIS C C 60 173.926 173.926 175.483 -1.557 18226 13204 1 38 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.552 -1.123 18226 13205 1 38 . 1 1 60 60 HIS CB C 60 29.157 29.157 32.870 -3.712 18226 13206 1 38 . 1 1 60 60 HIS H H 60 8.547 8.547 8.465 0.082 18226 13207 1 38 . 1 1 61 61 HIS N N 61 120.017 120.017 121.697 -1.680 18226 13208 1 38 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.792 -0.125 18226 13209 1 38 . 1 1 61 61 HIS C C 61 173.994 173.994 176.240 -2.246 18226 13210 1 38 . 1 1 61 61 HIS CA C 61 55.433 55.433 53.889 1.544 18226 13211 1 38 . 1 1 61 61 HIS CB C 61 29.201 29.201 29.538 -0.337 18226 13212 1 38 . 1 1 61 61 HIS H H 61 8.662 8.662 7.963 0.699 18226 13213 1 38 . 1 1 62 62 HIS N N 62 120.463 120.463 125.043 -4.580 18226 13214 1 38 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.218 0.439 18226 13215 1 38 . 1 1 62 62 HIS C C 62 173.939 173.939 175.736 -1.797 18226 13216 1 38 . 1 1 62 62 HIS CA C 62 55.376 55.376 59.294 -3.918 18226 13217 1 38 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.242 -0.951 18226 13218 1 38 . 1 1 62 62 HIS H H 62 8.729 8.729 8.557 0.172 18226 13219 1 38 . 1 1 63 63 HIS N N 63 120.370 120.370 116.942 3.428 18226 13220 1 38 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.636 0.022 18226 13221 1 38 . 1 1 63 63 HIS C C 63 173.564 173.564 174.463 -0.899 18226 13222 1 38 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.069 0.539 18226 13223 1 38 . 1 1 63 63 HIS CB C 63 29.365 29.365 28.034 1.331 18226 13224 1 38 . 1 1 63 63 HIS H H 63 8.619 8.619 8.489 0.130 18226 13225 1 39 . 1 1 2 2 GLU N N 2 123.545 123.545 121.041 2.504 18226 13226 1 39 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.088 0.298 18226 13227 1 39 . 1 1 2 2 GLU C C 2 175.742 175.742 176.094 -0.352 18226 13228 1 39 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.781 -0.418 18226 13229 1 39 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.675 0.080 18226 13230 1 39 . 1 1 2 2 GLU H H 2 8.765 8.765 8.454 0.311 18226 13231 1 39 . 1 1 3 3 GLU N N 3 122.227 122.227 117.828 4.399 18226 13232 1 39 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.165 0.168 18226 13233 1 39 . 1 1 3 3 GLU C C 3 176.636 176.636 177.791 -1.155 18226 13234 1 39 . 1 1 3 3 GLU CA C 3 56.488 56.488 57.074 -0.586 18226 13235 1 39 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.920 -0.163 18226 13236 1 39 . 1 1 3 3 GLU H H 3 8.550 8.550 8.634 -0.084 18226 13237 1 39 . 1 1 4 4 GLY N N 4 110.108 110.108 109.157 0.951 18226 13238 1 39 . 1 1 4 4 GLY C C 4 174.548 174.548 174.976 -0.428 18226 13239 1 39 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.180 0.295 18226 13240 1 39 . 1 1 4 4 GLY H H 4 8.453 8.453 8.127 0.326 18226 13241 1 39 . 1 1 5 5 GLY N N 5 108.466 108.466 110.980 -2.514 18226 13242 1 39 . 1 1 5 5 GLY C C 5 173.790 173.790 174.216 -0.426 18226 13243 1 39 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.317 0.047 18226 13244 1 39 . 1 1 5 5 GLY H H 5 8.168 8.168 8.059 0.109 18226 13245 1 39 . 1 1 6 6 ASP N N 6 119.764 119.764 117.911 1.853 18226 13246 1 39 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.669 -0.086 18226 13247 1 39 . 1 1 6 6 ASP C C 6 175.811 175.811 176.465 -0.654 18226 13248 1 39 . 1 1 6 6 ASP CA C 6 53.992 53.992 52.817 1.175 18226 13249 1 39 . 1 1 6 6 ASP CB C 6 40.257 40.257 40.463 -0.206 18226 13250 1 39 . 1 1 6 6 ASP H H 6 8.187 8.187 8.074 0.113 18226 13251 1 39 . 1 1 7 7 PHE N N 7 119.941 119.941 115.698 4.243 18226 13252 1 39 . 1 1 7 7 PHE HA H 7 4.566 4.566 3.566 1.000 18226 13253 1 39 . 1 1 7 7 PHE C C 7 175.636 175.636 175.020 0.616 18226 13254 1 39 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.630 -0.559 18226 13255 1 39 . 1 1 7 7 PHE CB C 7 39.319 39.319 36.997 2.322 18226 13256 1 39 . 1 1 7 7 PHE H H 7 8.103 8.103 7.628 0.475 18226 13257 1 39 . 1 1 8 8 ASP N N 8 120.418 120.418 118.256 2.162 18226 13258 1 39 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.908 -0.371 18226 13259 1 39 . 1 1 8 8 ASP C C 8 175.548 175.548 175.212 0.336 18226 13260 1 39 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.459 -0.086 18226 13261 1 39 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.467 -1.081 18226 13262 1 39 . 1 1 8 8 ASP H H 8 8.177 8.177 8.159 0.018 18226 13263 1 39 . 1 1 9 9 ASN N N 9 118.260 118.260 116.266 1.994 18226 13264 1 39 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.981 -0.394 18226 13265 1 39 . 1 1 9 9 ASN C C 9 174.782 174.782 174.223 0.559 18226 13266 1 39 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.897 -0.500 18226 13267 1 39 . 1 1 9 9 ASN CB C 9 38.762 38.762 40.367 -1.605 18226 13268 1 39 . 1 1 9 9 ASN H H 9 8.057 8.057 8.269 -0.212 18226 13269 1 39 . 1 1 10 10 TYR N N 10 120.145 120.145 118.985 1.160 18226 13270 1 39 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.645 -0.206 18226 13271 1 39 . 1 1 10 10 TYR C C 10 175.520 175.520 174.058 1.462 18226 13272 1 39 . 1 1 10 10 TYR CA C 10 58.369 58.369 58.850 -0.481 18226 13273 1 39 . 1 1 10 10 TYR CB C 10 38.749 38.749 39.739 -0.990 18226 13274 1 39 . 1 1 10 10 TYR H H 10 7.951 7.951 8.349 -0.398 18226 13275 1 39 . 1 1 11 11 TYR N N 11 121.223 121.223 122.066 -0.843 18226 13276 1 39 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.661 -0.162 18226 13277 1 39 . 1 1 11 11 TYR C C 11 175.974 175.974 176.608 -0.634 18226 13278 1 39 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.471 0.602 18226 13279 1 39 . 1 1 11 11 TYR CB C 11 38.671 38.671 36.497 2.174 18226 13280 1 39 . 1 1 11 11 TYR H H 11 7.971 7.971 8.333 -0.362 18226 13281 1 39 . 1 1 12 12 GLY N N 12 109.861 109.861 110.465 -0.604 18226 13282 1 39 . 1 1 12 12 GLY C C 12 173.775 173.775 173.674 0.101 18226 13283 1 39 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.573 -0.193 18226 13284 1 39 . 1 1 12 12 GLY H H 12 7.769 7.769 8.130 -0.361 18226 13285 1 39 . 1 1 13 13 ALA N N 13 123.378 123.378 120.860 2.518 18226 13286 1 39 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.373 -0.071 18226 13287 1 39 . 1 1 13 13 ALA C C 13 177.509 177.509 175.521 1.988 18226 13288 1 39 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.332 0.295 18226 13289 1 39 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.870 -0.426 18226 13290 1 39 . 1 1 13 13 ALA H H 13 7.975 7.975 7.481 0.494 18226 13291 1 39 . 1 1 14 14 ASP N N 14 118.494 118.494 116.963 1.531 18226 13292 1 39 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.396 0.238 18226 13293 1 39 . 1 1 14 14 ASP C C 14 175.747 175.747 175.120 0.627 18226 13294 1 39 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.690 -0.688 18226 13295 1 39 . 1 1 14 14 ASP CB C 14 40.162 40.162 38.803 1.359 18226 13296 1 39 . 1 1 14 14 ASP H H 14 8.307 8.307 8.444 -0.137 18226 13297 1 39 . 1 1 15 15 ASN N N 15 118.834 118.834 113.802 5.032 18226 13298 1 39 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.318 0.344 18226 13299 1 39 . 1 1 15 15 ASN C C 15 175.258 175.258 175.820 -0.562 18226 13300 1 39 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.966 -0.451 18226 13301 1 39 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.211 0.547 18226 13302 1 39 . 1 1 15 15 ASN H H 15 8.221 8.221 8.327 -0.106 18226 13303 1 39 . 1 1 16 16 GLN N N 16 120.413 120.413 121.775 -1.362 18226 13304 1 39 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.069 0.286 18226 13305 1 39 . 1 1 16 16 GLN C C 16 176.096 176.096 176.449 -0.353 18226 13306 1 39 . 1 1 16 16 GLN CA C 16 56.240 56.240 58.485 -2.245 18226 13307 1 39 . 1 1 16 16 GLN CB C 16 29.370 29.370 29.285 0.086 18226 13308 1 39 . 1 1 16 16 GLN H H 16 8.295 8.295 8.666 -0.371 18226 13309 1 39 . 1 1 17 17 SER N N 17 116.692 116.692 111.210 5.482 18226 13310 1 39 . 1 1 17 17 SER HA H 17 4.428 4.428 4.531 -0.103 18226 13311 1 39 . 1 1 17 17 SER C C 17 174.523 174.523 173.055 1.468 18226 13312 1 39 . 1 1 17 17 SER CA C 17 58.683 58.683 58.503 0.180 18226 13313 1 39 . 1 1 17 17 SER CB C 17 63.794 63.794 63.724 0.070 18226 13314 1 39 . 1 1 17 17 SER H H 17 8.267 8.267 8.292 -0.025 18226 13315 1 39 . 1 1 18 18 GLU N N 18 122.142 122.142 120.652 1.490 18226 13316 1 39 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.609 -0.246 18226 13317 1 39 . 1 1 18 18 GLU C C 18 175.937 175.937 174.652 1.285 18226 13318 1 39 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.015 -0.710 18226 13319 1 39 . 1 1 18 18 GLU CB C 18 29.506 29.506 32.296 -2.790 18226 13320 1 39 . 1 1 18 18 GLU H H 18 8.330 8.330 7.950 0.380 18226 13321 1 39 . 1 1 19 19 CYS N N 19 120.077 120.077 121.085 -1.008 18226 13322 1 39 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.591 -0.159 18226 13323 1 39 . 1 1 19 19 CYS C C 19 174.442 174.442 175.371 -0.929 18226 13324 1 39 . 1 1 19 19 CYS CA C 19 58.613 58.613 59.553 -0.940 18226 13325 1 39 . 1 1 19 19 CYS CB C 19 27.999 27.999 29.443 -1.444 18226 13326 1 39 . 1 1 19 19 CYS H H 19 8.276 8.276 8.508 -0.232 18226 13327 1 39 . 1 1 20 20 GLU N N 20 123.369 123.369 121.728 1.641 18226 13328 1 39 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.301 0.002 18226 13329 1 39 . 1 1 20 20 GLU C C 20 175.858 175.858 176.172 -0.314 18226 13330 1 39 . 1 1 20 20 GLU CA C 20 56.457 56.457 58.260 -1.803 18226 13331 1 39 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.681 -0.531 18226 13332 1 39 . 1 1 20 20 GLU H H 20 8.400 8.400 8.800 -0.400 18226 13333 1 39 . 1 1 21 21 TYR N N 21 119.980 119.980 117.475 2.505 18226 13334 1 39 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.853 -0.309 18226 13335 1 39 . 1 1 21 21 TYR C C 21 175.669 175.669 174.639 1.030 18226 13336 1 39 . 1 1 21 21 TYR CA C 21 58.103 58.103 58.162 -0.059 18226 13337 1 39 . 1 1 21 21 TYR CB C 21 38.677 38.677 40.421 -1.744 18226 13338 1 39 . 1 1 21 21 TYR H H 21 7.991 7.991 7.891 0.100 18226 13339 1 39 . 1 1 22 22 THR N N 22 113.984 113.984 112.413 1.571 18226 13340 1 39 . 1 1 22 22 THR HA H 22 4.164 4.164 4.605 -0.441 18226 13341 1 39 . 1 1 22 22 THR C C 22 174.259 174.259 174.939 -0.680 18226 13342 1 39 . 1 1 22 22 THR CA C 22 62.381 62.381 61.922 0.459 18226 13343 1 39 . 1 1 22 22 THR CB C 22 69.551 69.551 70.121 -0.570 18226 13344 1 39 . 1 1 22 22 THR H H 22 7.821 7.821 7.530 0.291 18226 13345 1 39 . 1 1 23 23 ASP N N 23 121.930 121.930 123.616 -1.686 18226 13346 1 39 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.494 0.177 18226 13347 1 39 . 1 1 23 23 ASP C C 23 176.164 176.164 178.168 -2.004 18226 13348 1 39 . 1 1 23 23 ASP CA C 23 53.681 53.681 56.395 -2.714 18226 13349 1 39 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.104 -1.498 18226 13350 1 39 . 1 1 23 23 ASP H H 23 8.106 8.106 7.985 0.121 18226 13351 1 39 . 1 1 24 24 TRP N N 24 121.947 121.947 121.062 0.885 18226 13352 1 39 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.348 0.134 18226 13353 1 39 . 1 1 24 24 TRP C C 24 176.496 176.496 175.743 0.753 18226 13354 1 39 . 1 1 24 24 TRP CA C 24 58.238 58.238 59.630 -1.392 18226 13355 1 39 . 1 1 24 24 TRP CB C 24 29.189 29.189 28.703 0.486 18226 13356 1 39 . 1 1 24 24 TRP H H 24 7.991 7.991 8.768 -0.777 18226 13357 1 39 . 1 1 25 25 LYS N N 25 119.673 119.673 113.132 6.541 18226 13358 1 39 . 1 1 25 25 LYS HA H 25 3.989 3.989 3.808 0.181 18226 13359 1 39 . 1 1 25 25 LYS C C 25 176.770 176.770 175.231 1.539 18226 13360 1 39 . 1 1 25 25 LYS CA C 25 57.467 57.467 54.293 3.174 18226 13361 1 39 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.447 0.506 18226 13362 1 39 . 1 1 25 25 LYS H H 25 7.588 7.588 6.788 0.800 18226 13363 1 39 . 1 1 26 26 SER N N 26 114.157 114.157 115.928 -1.771 18226 13364 1 39 . 1 1 26 26 SER HA H 26 4.462 4.462 4.100 0.362 18226 13365 1 39 . 1 1 26 26 SER C C 26 175.126 175.126 173.665 1.461 18226 13366 1 39 . 1 1 26 26 SER CA C 26 58.673 58.673 59.411 -0.738 18226 13367 1 39 . 1 1 26 26 SER CB C 26 63.801 63.801 63.050 0.750 18226 13368 1 39 . 1 1 26 26 SER H H 26 7.823 7.823 7.813 0.010 18226 13369 1 39 . 1 1 27 27 SER N N 27 117.353 117.353 121.629 -4.276 18226 13370 1 39 . 1 1 27 27 SER HA H 27 4.288 4.288 4.433 -0.145 18226 13371 1 39 . 1 1 27 27 SER C C 27 175.598 175.598 174.341 1.257 18226 13372 1 39 . 1 1 27 27 SER CA C 27 60.216 60.216 59.750 0.466 18226 13373 1 39 . 1 1 27 27 SER CB C 27 63.684 63.684 63.740 -0.056 18226 13374 1 39 . 1 1 27 27 SER H H 27 8.178 8.178 8.307 -0.129 18226 13375 1 39 . 1 1 28 28 GLY N N 28 110.249 110.249 109.387 0.862 18226 13376 1 39 . 1 1 28 28 GLY C C 28 174.667 174.667 173.555 1.112 18226 13377 1 39 . 1 1 28 28 GLY CA C 28 46.276 46.276 46.361 -0.085 18226 13378 1 39 . 1 1 28 28 GLY H H 28 8.359 8.359 7.772 0.587 18226 13379 1 39 . 1 1 29 29 ALA N N 29 121.959 121.959 119.194 2.765 18226 13380 1 39 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.540 -0.212 18226 13381 1 39 . 1 1 29 29 ALA C C 29 177.873 177.873 176.643 1.230 18226 13382 1 39 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.449 0.812 18226 13383 1 39 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.234 0.403 18226 13384 1 39 . 1 1 29 29 ALA H H 29 7.931 7.931 7.838 0.093 18226 13385 1 39 . 1 1 30 30 LEU N N 30 117.460 117.460 118.082 -0.622 18226 13386 1 39 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.503 -0.295 18226 13387 1 39 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.773 1.619 18226 13388 1 39 . 1 1 30 30 LEU CB C 30 42.605 42.605 43.311 -0.706 18226 13389 1 39 . 1 1 30 30 LEU H H 30 7.924 7.924 7.514 0.410 18226 13390 1 39 . 1 1 31 31 ILE N N 31 117.379 117.379 121.485 -4.106 18226 13391 1 39 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.093 -0.170 18226 13392 1 39 . 1 1 31 31 ILE CA C 31 66.011 66.011 64.783 1.228 18226 13393 1 39 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.966 -0.743 18226 13394 1 39 . 1 1 31 31 ILE H H 31 8.100 8.100 8.280 -0.180 18226 13395 1 39 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.483 -0.165 18226 13396 1 39 . 1 1 32 32 PRO C C 32 178.706 178.706 175.558 3.148 18226 13397 1 39 . 1 1 32 32 PRO CA C 32 66.031 66.031 62.541 3.490 18226 13398 1 39 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.219 1.048 18226 13399 1 39 . 1 1 33 33 ALA N N 33 119.040 119.040 119.905 -0.865 18226 13400 1 39 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.632 -0.437 18226 13401 1 39 . 1 1 33 33 ALA C C 33 179.052 179.052 177.325 1.727 18226 13402 1 39 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.625 2.768 18226 13403 1 39 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.647 -2.116 18226 13404 1 39 . 1 1 33 33 ALA H H 33 7.462 7.462 7.358 0.104 18226 13405 1 39 . 1 1 34 34 ILE N N 34 118.037 118.037 117.967 0.070 18226 13406 1 39 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.194 -0.471 18226 13407 1 39 . 1 1 34 34 ILE C C 34 177.827 177.827 177.071 0.756 18226 13408 1 39 . 1 1 34 34 ILE CA C 34 65.023 65.023 63.403 1.620 18226 13409 1 39 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.575 -2.234 18226 13410 1 39 . 1 1 34 34 ILE H H 34 8.176 8.176 7.457 0.719 18226 13411 1 39 . 1 1 35 35 TYR N N 35 118.783 118.783 118.716 0.067 18226 13412 1 39 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.386 -0.241 18226 13413 1 39 . 1 1 35 35 TYR C C 35 178.062 178.062 176.025 2.037 18226 13414 1 39 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.664 0.883 18226 13415 1 39 . 1 1 35 35 TYR CB C 35 37.742 37.742 37.896 -0.154 18226 13416 1 39 . 1 1 35 35 TYR H H 35 8.306 8.306 7.798 0.508 18226 13417 1 39 . 1 1 36 36 MET N N 36 118.068 118.068 116.622 1.446 18226 13418 1 39 . 1 1 36 36 MET HA H 36 4.317 4.317 4.614 -0.297 18226 13419 1 39 . 1 1 36 36 MET C C 36 178.183 178.183 176.033 2.150 18226 13420 1 39 . 1 1 36 36 MET CA C 36 58.533 58.533 56.687 1.846 18226 13421 1 39 . 1 1 36 36 MET CB C 36 32.288 32.288 32.787 -0.499 18226 13422 1 39 . 1 1 36 36 MET H H 36 8.090 8.090 7.637 0.453 18226 13423 1 39 . 1 1 37 37 LEU N N 37 120.316 120.316 118.381 1.935 18226 13424 1 39 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.428 -0.313 18226 13425 1 39 . 1 1 37 37 LEU C C 37 178.353 178.353 178.265 0.088 18226 13426 1 39 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.178 2.151 18226 13427 1 39 . 1 1 37 37 LEU CB C 37 41.914 41.914 42.690 -0.776 18226 13428 1 39 . 1 1 37 37 LEU H H 37 8.106 8.106 7.693 0.413 18226 13429 1 39 . 1 1 38 38 VAL N N 38 118.385 118.385 118.290 0.095 18226 13430 1 39 . 1 1 38 38 VAL HA H 38 3.529 3.529 3.806 -0.277 18226 13431 1 39 . 1 1 38 38 VAL C C 38 178.216 178.216 177.570 0.646 18226 13432 1 39 . 1 1 38 38 VAL CA C 38 67.042 67.042 65.408 1.634 18226 13433 1 39 . 1 1 38 38 VAL CB C 38 31.625 31.625 31.838 -0.213 18226 13434 1 39 . 1 1 38 38 VAL H H 38 8.305 8.305 7.977 0.328 18226 13435 1 39 . 1 1 39 39 PHE N N 39 120.216 120.216 120.737 -0.521 18226 13436 1 39 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.035 0.226 18226 13437 1 39 . 1 1 39 39 PHE C C 39 178.597 178.597 175.172 3.425 18226 13438 1 39 . 1 1 39 39 PHE CA C 39 61.320 61.320 61.146 0.174 18226 13439 1 39 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.249 -0.360 18226 13440 1 39 . 1 1 39 39 PHE H H 39 8.196 8.196 7.345 0.851 18226 13441 1 39 . 1 1 40 40 LEU N N 40 120.772 120.772 116.341 4.431 18226 13442 1 39 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.130 -0.080 18226 13443 1 39 . 1 1 40 40 LEU C C 40 179.666 179.666 175.641 4.025 18226 13444 1 39 . 1 1 40 40 LEU CA C 40 57.906 57.906 53.916 3.990 18226 13445 1 39 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.747 0.593 18226 13446 1 39 . 1 1 40 40 LEU H H 40 8.452 8.452 7.623 0.829 18226 13447 1 39 . 1 1 41 41 LEU N N 41 119.185 119.185 119.539 -0.354 18226 13448 1 39 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.522 -0.423 18226 13449 1 39 . 1 1 41 41 LEU C C 41 178.878 178.878 176.599 2.279 18226 13450 1 39 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.372 1.014 18226 13451 1 39 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.548 -1.693 18226 13452 1 39 . 1 1 41 41 LEU H H 41 8.435 8.435 8.140 0.295 18226 13453 1 39 . 1 1 42 42 GLY N N 42 105.718 105.718 107.609 -1.891 18226 13454 1 39 . 1 1 42 42 GLY C C 42 174.908 174.908 174.818 0.090 18226 13455 1 39 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.854 -0.212 18226 13456 1 39 . 1 1 42 42 GLY H H 42 8.208 8.208 8.066 0.142 18226 13457 1 39 . 1 1 43 43 THR N N 43 111.959 111.959 113.591 -1.632 18226 13458 1 39 . 1 1 43 43 THR HA H 43 4.348 4.348 4.395 -0.047 18226 13459 1 39 . 1 1 43 43 THR C C 43 175.665 175.665 173.981 1.684 18226 13460 1 39 . 1 1 43 43 THR CA C 43 63.097 63.097 63.016 0.082 18226 13461 1 39 . 1 1 43 43 THR CB C 43 69.867 69.867 69.590 0.277 18226 13462 1 39 . 1 1 43 43 THR H H 43 7.789 7.789 7.426 0.363 18226 13463 1 39 . 1 1 44 44 THR N N 44 113.271 113.271 113.456 -0.185 18226 13464 1 39 . 1 1 44 44 THR HA H 44 4.308 4.308 3.721 0.587 18226 13465 1 39 . 1 1 44 44 THR C C 44 175.754 175.754 175.026 0.728 18226 13466 1 39 . 1 1 44 44 THR CA C 44 63.194 63.194 63.350 -0.156 18226 13467 1 39 . 1 1 44 44 THR CB C 44 70.171 70.171 67.782 2.389 18226 13468 1 39 . 1 1 44 44 THR H H 44 7.833 7.833 7.628 0.205 18226 13469 1 39 . 1 1 45 45 GLY N N 45 109.879 109.879 108.997 0.882 18226 13470 1 39 . 1 1 45 45 GLY C C 45 175.221 175.221 174.605 0.616 18226 13471 1 39 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.067 1.472 18226 13472 1 39 . 1 1 45 45 GLY H H 45 8.259 8.259 7.755 0.504 18226 13473 1 39 . 1 1 46 46 ASN N N 46 117.998 117.998 117.243 0.755 18226 13474 1 39 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.901 -0.289 18226 13475 1 39 . 1 1 46 46 ASN C C 46 176.215 176.215 176.400 -0.185 18226 13476 1 39 . 1 1 46 46 ASN CA C 46 54.840 54.840 52.856 1.984 18226 13477 1 39 . 1 1 46 46 ASN CB C 46 38.566 38.566 39.321 -0.755 18226 13478 1 39 . 1 1 46 46 ASN H H 46 8.235 8.235 8.014 0.221 18226 13479 1 39 . 1 1 47 47 GLY N N 47 106.990 106.990 108.038 -1.048 18226 13480 1 39 . 1 1 47 47 GLY C C 47 174.659 174.659 174.219 0.440 18226 13481 1 39 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.960 1.019 18226 13482 1 39 . 1 1 47 47 GLY H H 47 8.425 8.425 8.270 0.155 18226 13483 1 39 . 1 1 48 48 LEU N N 48 120.699 120.699 118.002 2.697 18226 13484 1 39 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.608 -0.308 18226 13485 1 39 . 1 1 48 48 LEU C C 48 179.482 179.482 177.252 2.230 18226 13486 1 39 . 1 1 48 48 LEU CA C 48 57.445 57.445 54.273 3.172 18226 13487 1 39 . 1 1 48 48 LEU CB C 48 41.566 41.566 41.773 -0.206 18226 13488 1 39 . 1 1 48 48 LEU H H 48 7.956 7.956 7.527 0.429 18226 13489 1 39 . 1 1 49 49 VAL N N 49 120.101 120.101 116.686 3.415 18226 13490 1 39 . 1 1 49 49 VAL HA H 49 3.879 3.879 3.511 0.368 18226 13491 1 39 . 1 1 49 49 VAL C C 49 177.535 177.535 177.972 -0.437 18226 13492 1 39 . 1 1 49 49 VAL CA C 49 65.862 65.862 65.127 0.735 18226 13493 1 39 . 1 1 49 49 VAL CB C 49 31.779 31.779 30.753 1.026 18226 13494 1 39 . 1 1 49 49 VAL H H 49 7.919 7.919 7.976 -0.057 18226 13495 1 39 . 1 1 50 50 LEU N N 50 119.268 119.268 119.556 -0.288 18226 13496 1 39 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.095 -0.052 18226 13497 1 39 . 1 1 50 50 LEU CA C 50 57.845 57.845 57.546 0.299 18226 13498 1 39 . 1 1 50 50 LEU CB C 50 41.877 41.877 41.672 0.205 18226 13499 1 39 . 1 1 50 50 LEU H H 50 7.731 7.731 8.301 -0.570 18226 13500 1 39 . 1 1 51 51 TRP N N 51 118.033 118.033 120.212 -2.179 18226 13501 1 39 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.364 0.228 18226 13502 1 39 . 1 1 51 51 TRP C C 51 177.302 177.302 178.323 -1.021 18226 13503 1 39 . 1 1 51 51 TRP CA C 51 59.789 59.789 61.658 -1.869 18226 13504 1 39 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.030 1.177 18226 13505 1 39 . 1 1 51 51 TRP H H 51 8.070 8.070 7.561 0.509 18226 13506 1 39 . 1 1 52 52 THR N N 52 113.014 113.014 113.275 -0.261 18226 13507 1 39 . 1 1 52 52 THR HA H 52 3.746 3.746 4.257 -0.511 18226 13508 1 39 . 1 1 52 52 THR C C 52 176.361 176.361 175.128 1.233 18226 13509 1 39 . 1 1 52 52 THR CA C 52 66.443 66.443 64.522 1.921 18226 13510 1 39 . 1 1 52 52 THR CB C 52 69.017 69.017 68.128 0.889 18226 13511 1 39 . 1 1 52 52 THR H H 52 8.101 8.101 8.067 0.034 18226 13512 1 39 . 1 1 53 53 VAL N N 53 120.231 120.231 118.369 1.862 18226 13513 1 39 . 1 1 53 53 VAL HA H 53 3.678 3.678 4.030 -0.352 18226 13514 1 39 . 1 1 53 53 VAL C C 53 177.482 177.482 174.551 2.931 18226 13515 1 39 . 1 1 53 53 VAL CA C 53 66.158 66.158 63.481 2.676 18226 13516 1 39 . 1 1 53 53 VAL CB C 53 31.767 31.767 34.051 -2.284 18226 13517 1 39 . 1 1 53 53 VAL H H 53 7.905 7.905 8.237 -0.332 18226 13518 1 39 . 1 1 54 54 PHE N N 54 118.609 118.609 118.316 0.293 18226 13519 1 39 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.840 -0.607 18226 13520 1 39 . 1 1 54 54 PHE CA C 54 60.666 60.666 57.966 2.700 18226 13521 1 39 . 1 1 54 54 PHE CB C 54 39.258 39.258 39.468 -0.210 18226 13522 1 39 . 1 1 54 54 PHE H H 54 8.025 8.025 7.744 0.281 18226 13523 1 39 . 1 1 55 55 ARG N N 55 117.305 117.305 121.260 -3.955 18226 13524 1 39 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.509 -0.701 18226 13525 1 39 . 1 1 55 55 ARG CA C 55 57.710 57.710 56.782 0.928 18226 13526 1 39 . 1 1 55 55 ARG CB C 55 29.663 29.663 31.311 -1.648 18226 13527 1 39 . 1 1 55 55 ARG H H 55 8.025 8.025 7.713 0.312 18226 13528 1 39 . 1 1 56 56 LYS N N 56 118.321 118.321 121.319 -2.998 18226 13529 1 39 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.970 0.200 18226 13530 1 39 . 1 1 56 56 LYS CA C 56 57.440 57.440 59.011 -1.571 18226 13531 1 39 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.581 1.348 18226 13532 1 39 . 1 1 56 56 LYS H H 56 7.717 7.717 7.834 -0.117 18226 13533 1 39 . 1 1 57 57 LYS N N 57 118.349 118.349 117.558 0.791 18226 13534 1 39 . 1 1 57 57 LYS HA H 57 4.289 4.289 3.973 0.316 18226 13535 1 39 . 1 1 57 57 LYS C C 57 176.891 176.891 176.869 0.022 18226 13536 1 39 . 1 1 57 57 LYS CA C 57 56.373 56.373 57.505 -1.131 18226 13537 1 39 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.410 0.454 18226 13538 1 39 . 1 1 57 57 LYS H H 57 7.872 7.872 8.175 -0.303 18226 13539 1 39 . 1 1 58 58 GLY N N 58 107.442 107.442 105.973 1.469 18226 13540 1 39 . 1 1 58 58 GLY C C 58 173.263 173.263 173.448 -0.185 18226 13541 1 39 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.093 1.464 18226 13542 1 39 . 1 1 58 58 GLY H H 58 8.060 8.060 7.614 0.446 18226 13543 1 39 . 1 1 59 59 HIS N N 59 116.928 116.928 122.816 -5.888 18226 13544 1 39 . 1 1 59 59 HIS HA H 59 4.668 4.668 3.579 1.089 18226 13545 1 39 . 1 1 59 59 HIS C C 59 173.935 173.935 175.732 -1.797 18226 13546 1 39 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.319 -3.234 18226 13547 1 39 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.716 -0.493 18226 13548 1 39 . 1 1 59 59 HIS H H 59 8.076 8.076 8.486 -0.410 18226 13549 1 39 . 1 1 60 60 HIS N N 60 119.187 119.187 117.329 1.858 18226 13550 1 39 . 1 1 60 60 HIS HA H 60 4.671 4.671 3.968 0.703 18226 13551 1 39 . 1 1 60 60 HIS C C 60 173.926 173.926 175.760 -1.834 18226 13552 1 39 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.789 -1.361 18226 13553 1 39 . 1 1 60 60 HIS CB C 60 29.157 29.157 29.304 -0.147 18226 13554 1 39 . 1 1 60 60 HIS H H 60 8.547 8.547 7.765 0.782 18226 13555 1 39 . 1 1 61 61 HIS N N 61 120.017 120.017 118.662 1.355 18226 13556 1 39 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.211 0.456 18226 13557 1 39 . 1 1 61 61 HIS C C 61 173.994 173.994 173.984 0.010 18226 13558 1 39 . 1 1 61 61 HIS CA C 61 55.433 55.433 57.398 -1.965 18226 13559 1 39 . 1 1 61 61 HIS CB C 61 29.201 29.201 27.028 2.173 18226 13560 1 39 . 1 1 61 61 HIS H H 61 8.662 8.662 7.620 1.042 18226 13561 1 39 . 1 1 62 62 HIS N N 62 120.463 120.463 119.814 0.649 18226 13562 1 39 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.759 -0.102 18226 13563 1 39 . 1 1 62 62 HIS C C 62 173.939 173.939 174.229 -0.290 18226 13564 1 39 . 1 1 62 62 HIS CA C 62 55.376 55.376 56.442 -1.066 18226 13565 1 39 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.981 -1.690 18226 13566 1 39 . 1 1 62 62 HIS H H 62 8.729 8.729 8.514 0.215 18226 13567 1 39 . 1 1 63 63 HIS N N 63 120.370 120.370 123.916 -3.546 18226 13568 1 39 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.955 -0.297 18226 13569 1 39 . 1 1 63 63 HIS C C 63 173.564 173.564 175.652 -2.088 18226 13570 1 39 . 1 1 63 63 HIS CA C 63 55.608 55.608 56.450 -0.842 18226 13571 1 39 . 1 1 63 63 HIS CB C 63 29.365 29.365 30.042 -0.677 18226 13572 1 39 . 1 1 63 63 HIS H H 63 8.619 8.619 8.542 0.077 18226 13573 1 40 . 1 1 2 2 GLU N N 2 123.545 123.545 121.009 2.536 18226 13574 1 40 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.170 0.216 18226 13575 1 40 . 1 1 2 2 GLU C C 2 175.742 175.742 175.706 0.036 18226 13576 1 40 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.538 -0.175 18226 13577 1 40 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.751 0.004 18226 13578 1 40 . 1 1 2 2 GLU H H 2 8.765 8.765 8.598 0.167 18226 13579 1 40 . 1 1 3 3 GLU N N 3 122.227 122.227 121.491 0.736 18226 13580 1 40 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.348 -0.015 18226 13581 1 40 . 1 1 3 3 GLU C C 3 176.636 176.636 177.073 -0.437 18226 13582 1 40 . 1 1 3 3 GLU CA C 3 56.488 56.488 57.272 -0.784 18226 13583 1 40 . 1 1 3 3 GLU CB C 3 29.757 29.757 30.167 -0.410 18226 13584 1 40 . 1 1 3 3 GLU H H 3 8.550 8.550 8.639 -0.089 18226 13585 1 40 . 1 1 4 4 GLY N N 4 110.108 110.108 105.247 4.861 18226 13586 1 40 . 1 1 4 4 GLY C C 4 174.548 174.548 174.113 0.435 18226 13587 1 40 . 1 1 4 4 GLY CA C 4 45.475 45.475 45.322 0.153 18226 13588 1 40 . 1 1 4 4 GLY H H 4 8.453 8.453 8.125 0.328 18226 13589 1 40 . 1 1 5 5 GLY N N 5 108.466 108.466 109.654 -1.188 18226 13590 1 40 . 1 1 5 5 GLY C C 5 173.790 173.790 174.367 -0.577 18226 13591 1 40 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.726 -0.362 18226 13592 1 40 . 1 1 5 5 GLY H H 5 8.168 8.168 8.668 -0.500 18226 13593 1 40 . 1 1 6 6 ASP N N 6 119.764 119.764 118.631 1.133 18226 13594 1 40 . 1 1 6 6 ASP HA H 6 4.583 4.583 3.961 0.622 18226 13595 1 40 . 1 1 6 6 ASP C C 6 175.811 175.811 175.277 0.534 18226 13596 1 40 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.845 -0.853 18226 13597 1 40 . 1 1 6 6 ASP CB C 6 40.257 40.257 40.059 0.199 18226 13598 1 40 . 1 1 6 6 ASP H H 6 8.187 8.187 8.508 -0.321 18226 13599 1 40 . 1 1 7 7 PHE N N 7 119.941 119.941 112.540 7.401 18226 13600 1 40 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.120 0.446 18226 13601 1 40 . 1 1 7 7 PHE C C 7 175.636 175.636 174.917 0.719 18226 13602 1 40 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.961 -0.890 18226 13603 1 40 . 1 1 7 7 PHE CB C 7 39.319 39.319 36.458 2.861 18226 13604 1 40 . 1 1 7 7 PHE H H 7 8.103 8.103 7.783 0.320 18226 13605 1 40 . 1 1 8 8 ASP N N 8 120.418 120.418 118.492 1.926 18226 13606 1 40 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.783 -0.246 18226 13607 1 40 . 1 1 8 8 ASP C C 8 175.548 175.548 175.222 0.326 18226 13608 1 40 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.320 0.053 18226 13609 1 40 . 1 1 8 8 ASP CB C 8 40.386 40.386 40.675 -0.289 18226 13610 1 40 . 1 1 8 8 ASP H H 8 8.177 8.177 7.673 0.504 18226 13611 1 40 . 1 1 9 9 ASN N N 9 118.260 118.260 117.281 0.979 18226 13612 1 40 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.828 -0.241 18226 13613 1 40 . 1 1 9 9 ASN C C 9 174.782 174.782 174.513 0.269 18226 13614 1 40 . 1 1 9 9 ASN CA C 9 53.397 53.397 54.183 -0.786 18226 13615 1 40 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.930 -1.168 18226 13616 1 40 . 1 1 9 9 ASN H H 9 8.057 8.057 8.197 -0.140 18226 13617 1 40 . 1 1 10 10 TYR N N 10 120.145 120.145 120.334 -0.189 18226 13618 1 40 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.406 0.033 18226 13619 1 40 . 1 1 10 10 TYR C C 10 175.520 175.520 174.151 1.369 18226 13620 1 40 . 1 1 10 10 TYR CA C 10 58.369 58.369 57.459 0.909 18226 13621 1 40 . 1 1 10 10 TYR CB C 10 38.749 38.749 38.807 -0.058 18226 13622 1 40 . 1 1 10 10 TYR H H 10 7.951 7.951 8.381 -0.430 18226 13623 1 40 . 1 1 11 11 TYR N N 11 121.223 121.223 115.945 5.278 18226 13624 1 40 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.256 0.243 18226 13625 1 40 . 1 1 11 11 TYR C C 11 175.974 175.974 174.446 1.528 18226 13626 1 40 . 1 1 11 11 TYR CA C 11 58.073 58.073 57.823 0.250 18226 13627 1 40 . 1 1 11 11 TYR CB C 11 38.671 38.671 35.319 3.352 18226 13628 1 40 . 1 1 11 11 TYR H H 11 7.971 7.971 8.488 -0.517 18226 13629 1 40 . 1 1 12 12 GLY N N 12 109.861 109.861 105.795 4.066 18226 13630 1 40 . 1 1 12 12 GLY C C 12 173.775 173.775 172.912 0.863 18226 13631 1 40 . 1 1 12 12 GLY CA C 12 45.380 45.380 44.966 0.414 18226 13632 1 40 . 1 1 12 12 GLY H H 12 7.769 7.769 8.041 -0.272 18226 13633 1 40 . 1 1 13 13 ALA N N 13 123.378 123.378 121.862 1.516 18226 13634 1 40 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.405 -0.103 18226 13635 1 40 . 1 1 13 13 ALA C C 13 177.509 177.509 176.131 1.378 18226 13636 1 40 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.488 0.139 18226 13637 1 40 . 1 1 13 13 ALA CB C 13 19.444 19.444 18.779 0.665 18226 13638 1 40 . 1 1 13 13 ALA H H 13 7.975 7.975 7.676 0.299 18226 13639 1 40 . 1 1 14 14 ASP N N 14 118.494 118.494 117.942 0.552 18226 13640 1 40 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.276 0.358 18226 13641 1 40 . 1 1 14 14 ASP C C 14 175.747 175.747 174.492 1.255 18226 13642 1 40 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.521 -0.519 18226 13643 1 40 . 1 1 14 14 ASP CB C 14 40.162 40.162 39.635 0.527 18226 13644 1 40 . 1 1 14 14 ASP H H 14 8.307 8.307 8.283 0.024 18226 13645 1 40 . 1 1 15 15 ASN N N 15 118.834 118.834 116.861 1.973 18226 13646 1 40 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.525 0.137 18226 13647 1 40 . 1 1 15 15 ASN C C 15 175.258 175.258 175.779 -0.521 18226 13648 1 40 . 1 1 15 15 ASN CA C 15 53.515 53.515 52.962 0.554 18226 13649 1 40 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.580 0.177 18226 13650 1 40 . 1 1 15 15 ASN H H 15 8.221 8.221 7.849 0.372 18226 13651 1 40 . 1 1 16 16 GLN N N 16 120.413 120.413 118.791 1.622 18226 13652 1 40 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.194 0.161 18226 13653 1 40 . 1 1 16 16 GLN C C 16 176.096 176.096 175.694 0.402 18226 13654 1 40 . 1 1 16 16 GLN CA C 16 56.240 56.240 57.539 -1.300 18226 13655 1 40 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.834 0.536 18226 13656 1 40 . 1 1 16 16 GLN H H 16 8.295 8.295 8.596 -0.301 18226 13657 1 40 . 1 1 17 17 SER N N 17 116.692 116.692 111.621 5.071 18226 13658 1 40 . 1 1 17 17 SER HA H 17 4.428 4.428 4.245 0.183 18226 13659 1 40 . 1 1 17 17 SER C C 17 174.523 174.523 172.717 1.806 18226 13660 1 40 . 1 1 17 17 SER CA C 17 58.683 58.683 58.264 0.419 18226 13661 1 40 . 1 1 17 17 SER CB C 17 63.794 63.794 63.604 0.190 18226 13662 1 40 . 1 1 17 17 SER H H 17 8.267 8.267 7.881 0.386 18226 13663 1 40 . 1 1 18 18 GLU N N 18 122.142 122.142 122.275 -0.133 18226 13664 1 40 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.304 0.059 18226 13665 1 40 . 1 1 18 18 GLU C C 18 175.937 175.937 174.164 1.773 18226 13666 1 40 . 1 1 18 18 GLU CA C 18 56.305 56.305 55.522 0.783 18226 13667 1 40 . 1 1 18 18 GLU CB C 18 29.506 29.506 30.750 -1.244 18226 13668 1 40 . 1 1 18 18 GLU H H 18 8.330 8.330 7.931 0.399 18226 13669 1 40 . 1 1 19 19 CYS N N 19 120.077 120.077 117.821 2.256 18226 13670 1 40 . 1 1 19 19 CYS HA H 19 4.432 4.432 2.442 1.990 18226 13671 1 40 . 1 1 19 19 CYS C C 19 174.442 174.442 173.358 1.084 18226 13672 1 40 . 1 1 19 19 CYS CA C 19 58.613 58.613 57.206 1.407 18226 13673 1 40 . 1 1 19 19 CYS CB C 19 27.999 27.999 28.439 -0.440 18226 13674 1 40 . 1 1 19 19 CYS H H 19 8.276 8.276 8.339 -0.063 18226 13675 1 40 . 1 1 20 20 GLU N N 20 123.369 123.369 120.514 2.855 18226 13676 1 40 . 1 1 20 20 GLU HA H 20 4.303 4.303 3.619 0.684 18226 13677 1 40 . 1 1 20 20 GLU C C 20 175.858 175.858 174.840 1.018 18226 13678 1 40 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.925 -0.468 18226 13679 1 40 . 1 1 20 20 GLU CB C 20 29.150 29.150 29.725 -0.575 18226 13680 1 40 . 1 1 20 20 GLU H H 20 8.400 8.400 8.172 0.228 18226 13681 1 40 . 1 1 21 21 TYR N N 21 119.980 119.980 116.996 2.984 18226 13682 1 40 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.478 0.066 18226 13683 1 40 . 1 1 21 21 TYR C C 21 175.669 175.669 174.790 0.879 18226 13684 1 40 . 1 1 21 21 TYR CA C 21 58.103 58.103 59.891 -1.788 18226 13685 1 40 . 1 1 21 21 TYR CB C 21 38.677 38.677 35.700 2.977 18226 13686 1 40 . 1 1 21 21 TYR H H 21 7.991 7.991 7.869 0.122 18226 13687 1 40 . 1 1 22 22 THR N N 22 113.984 113.984 110.928 3.056 18226 13688 1 40 . 1 1 22 22 THR HA H 22 4.164 4.164 3.823 0.341 18226 13689 1 40 . 1 1 22 22 THR C C 22 174.259 174.259 173.826 0.433 18226 13690 1 40 . 1 1 22 22 THR CA C 22 62.381 62.381 63.393 -1.012 18226 13691 1 40 . 1 1 22 22 THR CB C 22 69.551 69.551 68.425 1.126 18226 13692 1 40 . 1 1 22 22 THR H H 22 7.821 7.821 8.642 -0.821 18226 13693 1 40 . 1 1 23 23 ASP N N 23 121.930 121.930 117.411 4.519 18226 13694 1 40 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.872 -0.201 18226 13695 1 40 . 1 1 23 23 ASP C C 23 176.164 176.164 175.909 0.255 18226 13696 1 40 . 1 1 23 23 ASP CA C 23 53.681 53.681 53.914 -0.233 18226 13697 1 40 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.695 -2.089 18226 13698 1 40 . 1 1 23 23 ASP H H 23 8.106 8.106 8.530 -0.424 18226 13699 1 40 . 1 1 24 24 TRP N N 24 121.947 121.947 117.559 4.388 18226 13700 1 40 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.930 -0.448 18226 13701 1 40 . 1 1 24 24 TRP C C 24 176.496 176.496 175.174 1.322 18226 13702 1 40 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.333 0.905 18226 13703 1 40 . 1 1 24 24 TRP CB C 24 29.189 29.189 30.686 -1.497 18226 13704 1 40 . 1 1 24 24 TRP H H 24 7.991 7.991 7.638 0.353 18226 13705 1 40 . 1 1 25 25 LYS N N 25 119.673 119.673 119.536 0.137 18226 13706 1 40 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.148 -0.159 18226 13707 1 40 . 1 1 25 25 LYS C C 25 176.770 176.770 174.983 1.787 18226 13708 1 40 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.443 2.024 18226 13709 1 40 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.735 0.218 18226 13710 1 40 . 1 1 25 25 LYS H H 25 7.588 7.588 7.617 -0.029 18226 13711 1 40 . 1 1 26 26 SER N N 26 114.157 114.157 115.538 -1.381 18226 13712 1 40 . 1 1 26 26 SER HA H 26 4.462 4.462 4.652 -0.190 18226 13713 1 40 . 1 1 26 26 SER C C 26 175.126 175.126 175.266 -0.140 18226 13714 1 40 . 1 1 26 26 SER CA C 26 58.673 58.673 58.246 0.427 18226 13715 1 40 . 1 1 26 26 SER CB C 26 63.801 63.801 64.619 -0.818 18226 13716 1 40 . 1 1 26 26 SER H H 26 7.823 7.823 7.652 0.171 18226 13717 1 40 . 1 1 27 27 SER N N 27 117.353 117.353 116.749 0.604 18226 13718 1 40 . 1 1 27 27 SER HA H 27 4.288 4.288 4.116 0.172 18226 13719 1 40 . 1 1 27 27 SER C C 27 175.598 175.598 175.235 0.363 18226 13720 1 40 . 1 1 27 27 SER CA C 27 60.216 60.216 60.769 -0.553 18226 13721 1 40 . 1 1 27 27 SER CB C 27 63.684 63.684 62.430 1.254 18226 13722 1 40 . 1 1 27 27 SER H H 27 8.178 8.178 8.757 -0.579 18226 13723 1 40 . 1 1 28 28 GLY N N 28 110.249 110.249 107.442 2.807 18226 13724 1 40 . 1 1 28 28 GLY C C 28 174.667 174.667 172.824 1.843 18226 13725 1 40 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.101 1.175 18226 13726 1 40 . 1 1 28 28 GLY H H 28 8.359 8.359 8.484 -0.125 18226 13727 1 40 . 1 1 29 29 ALA N N 29 121.959 121.959 122.125 -0.166 18226 13728 1 40 . 1 1 29 29 ALA HA H 29 4.328 4.328 3.920 0.408 18226 13729 1 40 . 1 1 29 29 ALA C C 29 177.873 177.873 176.717 1.156 18226 13730 1 40 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.807 0.454 18226 13731 1 40 . 1 1 29 29 ALA CB C 29 19.637 19.637 16.861 2.776 18226 13732 1 40 . 1 1 29 29 ALA H H 29 7.931 7.931 8.050 -0.119 18226 13733 1 40 . 1 1 30 30 LEU N N 30 117.460 117.460 117.165 0.295 18226 13734 1 40 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.158 0.050 18226 13735 1 40 . 1 1 30 30 LEU CA C 30 57.392 57.392 57.212 0.180 18226 13736 1 40 . 1 1 30 30 LEU CB C 30 42.605 42.605 41.873 0.732 18226 13737 1 40 . 1 1 30 30 LEU H H 30 7.924 7.924 7.582 0.342 18226 13738 1 40 . 1 1 31 31 ILE N N 31 117.379 117.379 119.636 -2.257 18226 13739 1 40 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.149 -0.226 18226 13740 1 40 . 1 1 31 31 ILE CA C 31 66.011 66.011 64.940 1.071 18226 13741 1 40 . 1 1 31 31 ILE CB C 31 35.223 35.223 35.547 -0.324 18226 13742 1 40 . 1 1 31 31 ILE H H 31 8.100 8.100 8.301 -0.201 18226 13743 1 40 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.433 -0.115 18226 13744 1 40 . 1 1 32 32 PRO C C 32 178.706 178.706 175.678 3.028 18226 13745 1 40 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.693 2.338 18226 13746 1 40 . 1 1 32 32 PRO CB C 32 31.267 31.267 29.883 1.384 18226 13747 1 40 . 1 1 33 33 ALA N N 33 119.040 119.040 120.842 -1.802 18226 13748 1 40 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.451 -0.256 18226 13749 1 40 . 1 1 33 33 ALA C C 33 179.052 179.052 177.193 1.859 18226 13750 1 40 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.421 2.972 18226 13751 1 40 . 1 1 33 33 ALA CB C 33 18.531 18.531 20.524 -1.993 18226 13752 1 40 . 1 1 33 33 ALA H H 33 7.462 7.462 8.172 -0.710 18226 13753 1 40 . 1 1 34 34 ILE N N 34 118.037 118.037 113.521 4.516 18226 13754 1 40 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.265 -0.543 18226 13755 1 40 . 1 1 34 34 ILE C C 34 177.827 177.827 176.529 1.298 18226 13756 1 40 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.085 2.938 18226 13757 1 40 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.769 -2.428 18226 13758 1 40 . 1 1 34 34 ILE H H 34 8.176 8.176 7.687 0.489 18226 13759 1 40 . 1 1 35 35 TYR N N 35 118.783 118.783 120.524 -1.741 18226 13760 1 40 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.416 -0.271 18226 13761 1 40 . 1 1 35 35 TYR C C 35 178.062 178.062 175.870 2.192 18226 13762 1 40 . 1 1 35 35 TYR CA C 35 61.548 61.548 60.637 0.911 18226 13763 1 40 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.231 -0.489 18226 13764 1 40 . 1 1 35 35 TYR H H 35 8.306 8.306 7.923 0.383 18226 13765 1 40 . 1 1 36 36 MET N N 36 118.068 118.068 116.278 1.790 18226 13766 1 40 . 1 1 36 36 MET HA H 36 4.317 4.317 4.622 -0.305 18226 13767 1 40 . 1 1 36 36 MET C C 36 178.183 178.183 176.793 1.390 18226 13768 1 40 . 1 1 36 36 MET CA C 36 58.533 58.533 56.272 2.261 18226 13769 1 40 . 1 1 36 36 MET CB C 36 32.288 32.288 32.816 -0.528 18226 13770 1 40 . 1 1 36 36 MET H H 36 8.090 8.090 7.587 0.503 18226 13771 1 40 . 1 1 37 37 LEU N N 37 120.316 120.316 119.523 0.793 18226 13772 1 40 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.179 -0.064 18226 13773 1 40 . 1 1 37 37 LEU C C 37 178.353 178.353 176.716 1.637 18226 13774 1 40 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.008 2.322 18226 13775 1 40 . 1 1 37 37 LEU CB C 37 41.914 41.914 40.832 1.082 18226 13776 1 40 . 1 1 37 37 LEU H H 37 8.106 8.106 8.365 -0.259 18226 13777 1 40 . 1 1 38 38 VAL N N 38 118.385 118.385 114.443 3.942 18226 13778 1 40 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.161 -0.632 18226 13779 1 40 . 1 1 38 38 VAL C C 38 178.216 178.216 177.580 0.636 18226 13780 1 40 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.009 4.033 18226 13781 1 40 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.705 -1.079 18226 13782 1 40 . 1 1 38 38 VAL H H 38 8.305 8.305 7.233 1.072 18226 13783 1 40 . 1 1 39 39 PHE N N 39 120.216 120.216 122.879 -2.663 18226 13784 1 40 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.166 0.095 18226 13785 1 40 . 1 1 39 39 PHE C C 39 178.597 178.597 176.104 2.493 18226 13786 1 40 . 1 1 39 39 PHE CA C 39 61.320 61.320 63.227 -1.907 18226 13787 1 40 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.581 -0.692 18226 13788 1 40 . 1 1 39 39 PHE H H 39 8.196 8.196 8.014 0.182 18226 13789 1 40 . 1 1 40 40 LEU N N 40 120.772 120.772 116.890 3.882 18226 13790 1 40 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.395 -0.345 18226 13791 1 40 . 1 1 40 40 LEU C C 40 179.666 179.666 175.979 3.687 18226 13792 1 40 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.517 3.389 18226 13793 1 40 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.252 1.089 18226 13794 1 40 . 1 1 40 40 LEU H H 40 8.452 8.452 7.686 0.766 18226 13795 1 40 . 1 1 41 41 LEU N N 41 119.185 119.185 120.233 -1.048 18226 13796 1 40 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.568 -0.469 18226 13797 1 40 . 1 1 41 41 LEU C C 41 178.878 178.878 177.058 1.820 18226 13798 1 40 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.509 0.877 18226 13799 1 40 . 1 1 41 41 LEU CB C 41 41.855 41.855 44.075 -2.220 18226 13800 1 40 . 1 1 41 41 LEU H H 41 8.435 8.435 8.069 0.366 18226 13801 1 40 . 1 1 42 42 GLY N N 42 105.718 105.718 106.907 -1.189 18226 13802 1 40 . 1 1 42 42 GLY C C 42 174.908 174.908 174.111 0.797 18226 13803 1 40 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.702 -0.060 18226 13804 1 40 . 1 1 42 42 GLY H H 42 8.208 8.208 8.336 -0.128 18226 13805 1 40 . 1 1 43 43 THR N N 43 111.959 111.959 114.000 -2.041 18226 13806 1 40 . 1 1 43 43 THR HA H 43 4.348 4.348 4.294 0.054 18226 13807 1 40 . 1 1 43 43 THR C C 43 175.665 175.665 174.551 1.114 18226 13808 1 40 . 1 1 43 43 THR CA C 43 63.097 63.097 62.422 0.675 18226 13809 1 40 . 1 1 43 43 THR CB C 43 69.867 69.867 68.424 1.443 18226 13810 1 40 . 1 1 43 43 THR H H 43 7.789 7.789 7.283 0.506 18226 13811 1 40 . 1 1 44 44 THR N N 44 113.271 113.271 116.267 -2.996 18226 13812 1 40 . 1 1 44 44 THR HA H 44 4.308 4.308 3.884 0.424 18226 13813 1 40 . 1 1 44 44 THR C C 44 175.754 175.754 175.561 0.193 18226 13814 1 40 . 1 1 44 44 THR CA C 44 63.194 63.194 63.939 -0.745 18226 13815 1 40 . 1 1 44 44 THR CB C 44 70.171 70.171 68.077 2.094 18226 13816 1 40 . 1 1 44 44 THR H H 44 7.833 7.833 8.233 -0.400 18226 13817 1 40 . 1 1 45 45 GLY N N 45 109.879 109.879 109.844 0.035 18226 13818 1 40 . 1 1 45 45 GLY C C 45 175.221 175.221 174.137 1.084 18226 13819 1 40 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.207 1.332 18226 13820 1 40 . 1 1 45 45 GLY H H 45 8.259 8.259 7.940 0.319 18226 13821 1 40 . 1 1 46 46 ASN N N 46 117.998 117.998 116.987 1.011 18226 13822 1 40 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.885 -0.273 18226 13823 1 40 . 1 1 46 46 ASN C C 46 176.215 176.215 174.900 1.315 18226 13824 1 40 . 1 1 46 46 ASN CA C 46 54.840 54.840 53.501 1.339 18226 13825 1 40 . 1 1 46 46 ASN CB C 46 38.566 38.566 40.583 -2.017 18226 13826 1 40 . 1 1 46 46 ASN H H 46 8.235 8.235 8.720 -0.485 18226 13827 1 40 . 1 1 47 47 GLY N N 47 106.990 106.990 107.504 -0.514 18226 13828 1 40 . 1 1 47 47 GLY C C 47 174.659 174.659 173.260 1.399 18226 13829 1 40 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.191 1.788 18226 13830 1 40 . 1 1 47 47 GLY H H 47 8.425 8.425 7.913 0.512 18226 13831 1 40 . 1 1 48 48 LEU N N 48 120.699 120.699 114.383 6.316 18226 13832 1 40 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.861 -0.561 18226 13833 1 40 . 1 1 48 48 LEU C C 48 179.482 179.482 175.481 4.001 18226 13834 1 40 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.347 2.098 18226 13835 1 40 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.223 -0.657 18226 13836 1 40 . 1 1 48 48 LEU H H 48 7.956 7.956 7.547 0.409 18226 13837 1 40 . 1 1 49 49 VAL N N 49 120.101 120.101 118.252 1.849 18226 13838 1 40 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.187 -0.308 18226 13839 1 40 . 1 1 49 49 VAL C C 49 177.535 177.535 176.680 0.855 18226 13840 1 40 . 1 1 49 49 VAL CA C 49 65.862 65.862 63.535 2.327 18226 13841 1 40 . 1 1 49 49 VAL CB C 49 31.779 31.779 33.333 -1.554 18226 13842 1 40 . 1 1 49 49 VAL H H 49 7.919 7.919 7.829 0.090 18226 13843 1 40 . 1 1 50 50 LEU N N 50 119.268 119.268 115.912 3.356 18226 13844 1 40 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.685 -0.642 18226 13845 1 40 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.620 1.225 18226 13846 1 40 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.469 -0.592 18226 13847 1 40 . 1 1 50 50 LEU H H 50 7.731 7.731 7.888 -0.157 18226 13848 1 40 . 1 1 51 51 TRP N N 51 118.033 118.033 120.773 -2.740 18226 13849 1 40 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.710 -0.118 18226 13850 1 40 . 1 1 51 51 TRP C C 51 177.302 177.302 176.684 0.618 18226 13851 1 40 . 1 1 51 51 TRP CA C 51 59.789 59.789 58.528 1.261 18226 13852 1 40 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.705 0.502 18226 13853 1 40 . 1 1 51 51 TRP H H 51 8.070 8.070 8.284 -0.214 18226 13854 1 40 . 1 1 52 52 THR N N 52 113.014 113.014 113.530 -0.516 18226 13855 1 40 . 1 1 52 52 THR HA H 52 3.746 3.746 3.861 -0.115 18226 13856 1 40 . 1 1 52 52 THR C C 52 176.361 176.361 175.022 1.339 18226 13857 1 40 . 1 1 52 52 THR CA C 52 66.443 66.443 64.291 2.152 18226 13858 1 40 . 1 1 52 52 THR CB C 52 69.017 69.017 68.760 0.257 18226 13859 1 40 . 1 1 52 52 THR H H 52 8.101 8.101 7.875 0.226 18226 13860 1 40 . 1 1 53 53 VAL N N 53 120.231 120.231 120.700 -0.469 18226 13861 1 40 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.826 -0.148 18226 13862 1 40 . 1 1 53 53 VAL C C 53 177.482 177.482 176.495 0.987 18226 13863 1 40 . 1 1 53 53 VAL CA C 53 66.158 66.158 65.376 0.782 18226 13864 1 40 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.732 0.035 18226 13865 1 40 . 1 1 53 53 VAL H H 53 7.905 7.905 7.932 -0.027 18226 13866 1 40 . 1 1 54 54 PHE N N 54 118.609 118.609 115.712 2.897 18226 13867 1 40 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.497 -0.264 18226 13868 1 40 . 1 1 54 54 PHE CA C 54 60.666 60.666 57.441 3.225 18226 13869 1 40 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.797 0.461 18226 13870 1 40 . 1 1 54 54 PHE H H 54 8.025 8.025 7.872 0.153 18226 13871 1 40 . 1 1 55 55 ARG N N 55 117.305 117.305 119.225 -1.920 18226 13872 1 40 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.422 -0.614 18226 13873 1 40 . 1 1 55 55 ARG CA C 55 57.710 57.710 56.773 0.937 18226 13874 1 40 . 1 1 55 55 ARG CB C 55 29.663 29.663 32.177 -2.514 18226 13875 1 40 . 1 1 55 55 ARG H H 55 8.025 8.025 7.588 0.437 18226 13876 1 40 . 1 1 56 56 LYS N N 56 118.321 118.321 120.633 -2.312 18226 13877 1 40 . 1 1 56 56 LYS HA H 56 4.170 4.170 4.187 -0.017 18226 13878 1 40 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.449 -1.009 18226 13879 1 40 . 1 1 56 56 LYS CB C 56 32.929 32.929 32.014 0.915 18226 13880 1 40 . 1 1 56 56 LYS H H 56 7.717 7.717 8.476 -0.759 18226 13881 1 40 . 1 1 57 57 LYS N N 57 118.349 118.349 115.531 2.818 18226 13882 1 40 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.339 -0.050 18226 13883 1 40 . 1 1 57 57 LYS C C 57 176.891 176.891 176.708 0.183 18226 13884 1 40 . 1 1 57 57 LYS CA C 57 56.373 56.373 55.921 0.452 18226 13885 1 40 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.548 0.316 18226 13886 1 40 . 1 1 57 57 LYS H H 57 7.872 7.872 7.783 0.089 18226 13887 1 40 . 1 1 58 58 GLY N N 58 107.442 107.442 109.582 -2.140 18226 13888 1 40 . 1 1 58 58 GLY C C 58 173.263 173.263 174.185 -0.922 18226 13889 1 40 . 1 1 58 58 GLY CA C 58 45.557 45.557 45.779 -0.222 18226 13890 1 40 . 1 1 58 58 GLY H H 58 8.060 8.060 7.935 0.125 18226 13891 1 40 . 1 1 59 59 HIS N N 59 116.928 116.928 123.672 -6.744 18226 13892 1 40 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.196 0.472 18226 13893 1 40 . 1 1 59 59 HIS C C 59 173.935 173.935 175.282 -1.347 18226 13894 1 40 . 1 1 59 59 HIS CA C 59 55.085 55.085 57.605 -2.520 18226 13895 1 40 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.774 -0.551 18226 13896 1 40 . 1 1 59 59 HIS H H 59 8.076 8.076 8.691 -0.615 18226 13897 1 40 . 1 1 60 60 HIS N N 60 119.187 119.187 117.998 1.189 18226 13898 1 40 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.492 0.179 18226 13899 1 40 . 1 1 60 60 HIS C C 60 173.926 173.926 175.507 -1.581 18226 13900 1 40 . 1 1 60 60 HIS CA C 60 55.429 55.429 57.900 -2.471 18226 13901 1 40 . 1 1 60 60 HIS CB C 60 29.157 29.157 30.514 -1.357 18226 13902 1 40 . 1 1 60 60 HIS H H 60 8.547 8.547 8.232 0.315 18226 13903 1 40 . 1 1 61 61 HIS N N 61 120.017 120.017 118.313 1.704 18226 13904 1 40 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.829 -0.162 18226 13905 1 40 . 1 1 61 61 HIS C C 61 173.994 173.994 173.959 0.035 18226 13906 1 40 . 1 1 61 61 HIS CA C 61 55.433 55.433 56.027 -0.594 18226 13907 1 40 . 1 1 61 61 HIS CB C 61 29.201 29.201 29.664 -0.463 18226 13908 1 40 . 1 1 61 61 HIS H H 61 8.662 8.662 8.547 0.115 18226 13909 1 40 . 1 1 62 62 HIS N N 62 120.463 120.463 125.141 -4.678 18226 13910 1 40 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.990 -0.333 18226 13911 1 40 . 1 1 62 62 HIS C C 62 173.939 173.939 174.055 -0.116 18226 13912 1 40 . 1 1 62 62 HIS CA C 62 55.376 55.376 56.110 -0.734 18226 13913 1 40 . 1 1 62 62 HIS CB C 62 29.291 29.291 30.793 -1.502 18226 13914 1 40 . 1 1 62 62 HIS H H 62 8.729 8.729 8.624 0.105 18226 13915 1 40 . 1 1 63 63 HIS N N 63 120.370 120.370 122.892 -2.522 18226 13916 1 40 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.979 -0.321 18226 13917 1 40 . 1 1 63 63 HIS C C 63 173.564 173.564 175.303 -1.739 18226 13918 1 40 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.618 -0.010 18226 13919 1 40 . 1 1 63 63 HIS CB C 63 29.365 29.365 32.002 -2.637 18226 13920 1 40 . 1 1 63 63 HIS H H 63 8.619 8.619 8.606 0.013 18226 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 61 2.481 -0.379 2.472 18226 2 1 1 "Average Difference" HA 65 0.301 0.015 0.302 18226 3 1 1 "Average Difference" C 56 1.320 -0.596 1.188 18226 4 1 1 "Average Difference" CA 62 1.553 -0.365 1.522 18226 5 1 1 "Average Difference" CB 54 1.214 0.111 1.220 18226 6 1 1 "Average Difference" HN 61 0.395 -0.067 0.393 18226 7 1 2 "Average Difference" N 61 2.793 -0.618 2.746 18226 8 1 2 "Average Difference" HA 65 0.358 0.039 0.359 18226 9 1 2 "Average Difference" C 56 1.387 -0.732 1.188 18226 10 1 2 "Average Difference" CA 62 1.537 -0.560 1.443 18226 11 1 2 "Average Difference" CB 54 1.285 0.032 1.296 18226 12 1 2 "Average Difference" HN 61 0.471 -0.131 0.456 18226 13 1 3 "Average Difference" N 61 2.652 -0.511 2.624 18226 14 1 3 "Average Difference" HA 65 0.301 0.044 0.300 18226 15 1 3 "Average Difference" C 56 1.257 -0.623 1.101 18226 16 1 3 "Average Difference" CA 62 1.363 -0.424 1.305 18226 17 1 3 "Average Difference" CB 54 1.377 -0.144 1.382 18226 18 1 3 "Average Difference" HN 61 0.386 -0.029 0.388 18226 19 1 4 "Average Difference" N 61 2.766 -0.669 2.706 18226 20 1 4 "Average Difference" HA 65 0.342 0.087 0.333 18226 21 1 4 "Average Difference" C 56 1.385 -0.550 1.282 18226 22 1 4 "Average Difference" CA 62 1.659 -0.549 1.578 18226 23 1 4 "Average Difference" CB 54 0.980 0.052 0.988 18226 24 1 4 "Average Difference" HN 61 0.483 -0.132 0.469 18226 25 1 5 "Average Difference" N 61 2.775 -0.463 2.759 18226 26 1 5 "Average Difference" HA 65 0.305 0.025 0.306 18226 27 1 5 "Average Difference" C 56 1.337 -0.873 1.021 18226 28 1 5 "Average Difference" CA 62 1.473 -0.437 1.418 18226 29 1 5 "Average Difference" CB 54 1.129 -0.013 1.140 18226 30 1 5 "Average Difference" HN 61 0.410 -0.081 0.405 18226 31 1 6 "Average Difference" N 61 2.454 -0.447 2.433 18226 32 1 6 "Average Difference" HA 65 0.302 0.084 0.292 18226 33 1 6 "Average Difference" C 56 1.316 -0.705 1.121 18226 34 1 6 "Average Difference" CA 62 1.562 -0.538 1.479 18226 35 1 6 "Average Difference" CB 54 1.114 0.207 1.104 18226 36 1 6 "Average Difference" HN 61 0.450 -0.136 0.432 18226 37 1 7 "Average Difference" N 61 2.832 -0.681 2.772 18226 38 1 7 "Average Difference" HA 65 0.327 0.018 0.329 18226 39 1 7 "Average Difference" C 56 1.339 -0.672 1.169 18226 40 1 7 "Average Difference" CA 62 1.399 -0.376 1.358 18226 41 1 7 "Average Difference" CB 54 1.379 -0.154 1.383 18226 42 1 7 "Average Difference" HN 61 0.427 -0.096 0.420 18226 43 1 8 "Average Difference" N 61 2.496 -0.498 2.466 18226 44 1 8 "Average Difference" HA 65 0.276 0.079 0.266 18226 45 1 8 "Average Difference" C 56 1.393 -0.802 1.149 18226 46 1 8 "Average Difference" CA 62 1.545 -0.637 1.419 18226 47 1 8 "Average Difference" CB 54 1.210 0.170 1.209 18226 48 1 8 "Average Difference" HN 61 0.479 -0.175 0.450 18226 49 1 9 "Average Difference" N 61 2.806 -0.732 2.731 18226 50 1 9 "Average Difference" HA 65 0.302 0.044 0.301 18226 51 1 9 "Average Difference" C 56 1.165 -0.494 1.065 18226 52 1 9 "Average Difference" CA 62 1.364 -0.194 1.362 18226 53 1 9 "Average Difference" CB 54 1.205 0.048 1.215 18226 54 1 9 "Average Difference" HN 61 0.414 -0.175 0.378 18226 55 1 10 "Average Difference" N 61 2.769 -1.012 2.599 18226 56 1 10 "Average Difference" HA 65 0.326 0.065 0.322 18226 57 1 10 "Average Difference" C 56 1.294 -0.704 1.095 18226 58 1 10 "Average Difference" CA 62 1.664 -0.470 1.610 18226 59 1 10 "Average Difference" CB 54 1.436 0.048 1.449 18226 60 1 10 "Average Difference" HN 61 0.411 -0.102 0.401 18226 61 1 11 "Average Difference" N 61 2.373 -0.697 2.287 18226 62 1 11 "Average Difference" HA 65 0.324 0.083 0.316 18226 63 1 11 "Average Difference" C 56 1.330 -0.665 1.162 18226 64 1 11 "Average Difference" CA 62 1.559 -0.602 1.449 18226 65 1 11 "Average Difference" CB 54 1.304 0.023 1.316 18226 66 1 11 "Average Difference" HN 61 0.402 -0.050 0.403 18226 67 1 12 "Average Difference" N 61 2.710 -0.503 2.685 18226 68 1 12 "Average Difference" HA 65 0.327 0.006 0.330 18226 69 1 12 "Average Difference" C 56 1.202 -0.611 1.044 18226 70 1 12 "Average Difference" CA 62 1.356 -0.413 1.302 18226 71 1 12 "Average Difference" CB 54 1.010 -0.076 1.017 18226 72 1 12 "Average Difference" HN 61 0.435 -0.097 0.428 18226 73 1 13 "Average Difference" N 61 2.334 -0.624 2.268 18226 74 1 13 "Average Difference" HA 65 0.307 0.077 0.300 18226 75 1 13 "Average Difference" C 56 1.203 -0.590 1.058 18226 76 1 13 "Average Difference" CA 62 1.511 -0.510 1.434 18226 77 1 13 "Average Difference" CB 54 1.295 0.076 1.305 18226 78 1 13 "Average Difference" HN 61 0.377 -0.106 0.365 18226 79 1 14 "Average Difference" N 61 2.902 -0.920 2.775 18226 80 1 14 "Average Difference" HA 65 0.297 0.079 0.289 18226 81 1 14 "Average Difference" C 56 1.486 -0.781 1.276 18226 82 1 14 "Average Difference" CA 62 1.543 -0.562 1.449 18226 83 1 14 "Average Difference" CB 54 1.133 0.061 1.142 18226 84 1 14 "Average Difference" HN 61 0.450 -0.138 0.432 18226 85 1 15 "Average Difference" N 61 2.573 -0.735 2.486 18226 86 1 15 "Average Difference" HA 65 0.289 0.066 0.284 18226 87 1 15 "Average Difference" C 56 1.226 -0.523 1.119 18226 88 1 15 "Average Difference" CA 62 1.441 -0.580 1.330 18226 89 1 15 "Average Difference" CB 54 1.196 0.149 1.198 18226 90 1 15 "Average Difference" HN 61 0.497 -0.163 0.474 18226 91 1 16 "Average Difference" N 61 2.643 -0.622 2.590 18226 92 1 16 "Average Difference" HA 65 0.295 0.020 0.297 18226 93 1 16 "Average Difference" C 56 1.240 -0.472 1.157 18226 94 1 16 "Average Difference" CA 62 1.451 -0.176 1.452 18226 95 1 16 "Average Difference" CB 54 1.334 0.176 1.335 18226 96 1 16 "Average Difference" HN 61 0.434 -0.041 0.436 18226 97 1 17 "Average Difference" N 61 2.764 -0.444 2.751 18226 98 1 17 "Average Difference" HA 65 0.312 0.116 0.292 18226 99 1 17 "Average Difference" C 56 1.492 -0.877 1.218 18226 100 1 17 "Average Difference" CA 62 1.614 -0.673 1.479 18226 101 1 17 "Average Difference" CB 54 1.340 0.317 1.314 18226 102 1 17 "Average Difference" HN 61 0.461 -0.068 0.460 18226 103 1 18 "Average Difference" N 61 2.614 -0.490 2.589 18226 104 1 18 "Average Difference" HA 65 0.284 0.064 0.279 18226 105 1 18 "Average Difference" C 56 1.225 -0.475 1.139 18226 106 1 18 "Average Difference" CA 62 1.401 -0.334 1.372 18226 107 1 18 "Average Difference" CB 54 1.021 0.160 1.018 18226 108 1 18 "Average Difference" HN 61 0.438 -0.125 0.423 18226 109 1 19 "Average Difference" N 61 2.854 -0.786 2.766 18226 110 1 19 "Average Difference" HA 65 0.337 -0.014 0.339 18226 111 1 19 "Average Difference" C 56 1.292 -0.659 1.122 18226 112 1 19 "Average Difference" CA 62 1.450 -0.398 1.406 18226 113 1 19 "Average Difference" CB 54 1.234 -0.273 1.214 18226 114 1 19 "Average Difference" HN 61 0.491 -0.136 0.476 18226 115 1 20 "Average Difference" N 61 2.371 -0.561 2.323 18226 116 1 20 "Average Difference" HA 65 0.286 0.050 0.284 18226 117 1 20 "Average Difference" C 56 1.130 -0.606 0.963 18226 118 1 20 "Average Difference" CA 62 1.424 -0.447 1.363 18226 119 1 20 "Average Difference" CB 54 1.281 0.135 1.286 18226 120 1 20 "Average Difference" HN 61 0.465 -0.139 0.448 18226 121 1 21 "Average Difference" N 61 2.439 -0.445 2.418 18226 122 1 21 "Average Difference" HA 65 0.309 0.084 0.299 18226 123 1 21 "Average Difference" C 56 1.269 -0.554 1.152 18226 124 1 21 "Average Difference" CA 62 1.584 -0.459 1.528 18226 125 1 21 "Average Difference" CB 54 1.137 0.094 1.143 18226 126 1 21 "Average Difference" HN 61 0.439 -0.100 0.430 18226 127 1 22 "Average Difference" N 61 2.806 -0.816 2.707 18226 128 1 22 "Average Difference" HA 65 0.301 0.098 0.287 18226 129 1 22 "Average Difference" C 56 1.274 -0.706 1.069 18226 130 1 22 "Average Difference" CA 62 1.404 -0.434 1.346 18226 131 1 22 "Average Difference" CB 54 1.266 0.310 1.239 18226 132 1 22 "Average Difference" HN 61 0.423 -0.028 0.426 18226 133 1 23 "Average Difference" N 61 2.829 -0.967 2.680 18226 134 1 23 "Average Difference" HA 65 0.413 -0.003 0.416 18226 135 1 23 "Average Difference" C 56 1.236 -0.755 0.987 18226 136 1 23 "Average Difference" CA 62 1.501 -0.604 1.385 18226 137 1 23 "Average Difference" CB 54 1.200 -0.127 1.205 18226 138 1 23 "Average Difference" HN 61 0.444 -0.086 0.439 18226 139 1 24 "Average Difference" N 61 2.826 -0.859 2.715 18226 140 1 24 "Average Difference" HA 65 0.300 0.024 0.302 18226 141 1 24 "Average Difference" C 56 1.366 -0.724 1.169 18226 142 1 24 "Average Difference" CA 62 1.376 -0.382 1.333 18226 143 1 24 "Average Difference" CB 54 1.262 0.060 1.273 18226 144 1 24 "Average Difference" HN 61 0.485 -0.197 0.447 18226 145 1 25 "Average Difference" N 61 2.592 -0.563 2.551 18226 146 1 25 "Average Difference" HA 65 0.316 0.076 0.309 18226 147 1 25 "Average Difference" C 56 1.370 -0.705 1.186 18226 148 1 25 "Average Difference" CA 62 1.461 -0.440 1.405 18226 149 1 25 "Average Difference" CB 54 1.413 0.275 1.399 18226 150 1 25 "Average Difference" HN 61 0.404 -0.065 0.402 18226 151 1 26 "Average Difference" N 61 2.543 -0.768 2.444 18226 152 1 26 "Average Difference" HA 65 0.299 0.033 0.299 18226 153 1 26 "Average Difference" C 56 1.421 -0.614 1.293 18226 154 1 26 "Average Difference" CA 62 1.597 -0.473 1.537 18226 155 1 26 "Average Difference" CB 54 1.050 -0.081 1.056 18226 156 1 26 "Average Difference" HN 61 0.515 -0.143 0.498 18226 157 1 27 "Average Difference" N 61 3.039 -0.740 2.972 18226 158 1 27 "Average Difference" HA 65 0.450 -0.076 0.447 18226 159 1 27 "Average Difference" C 56 1.264 -0.584 1.131 18226 160 1 27 "Average Difference" CA 62 1.483 -0.454 1.423 18226 161 1 27 "Average Difference" CB 54 1.201 -0.124 1.206 18226 162 1 27 "Average Difference" HN 61 0.508 -0.115 0.499 18226 163 1 28 "Average Difference" N 61 2.373 -0.479 2.344 18226 164 1 28 "Average Difference" HA 65 0.383 -0.005 0.386 18226 165 1 28 "Average Difference" C 56 1.423 -0.747 1.222 18226 166 1 28 "Average Difference" CA 62 1.644 -0.507 1.577 18226 167 1 28 "Average Difference" CB 54 1.258 -0.023 1.269 18226 168 1 28 "Average Difference" HN 61 0.468 -0.155 0.445 18226 169 1 29 "Average Difference" N 61 2.347 -0.747 2.244 18226 170 1 29 "Average Difference" HA 65 0.294 0.043 0.294 18226 171 1 29 "Average Difference" C 56 1.411 -0.652 1.263 18226 172 1 29 "Average Difference" CA 62 1.536 -0.494 1.466 18226 173 1 29 "Average Difference" CB 54 1.108 0.210 1.098 18226 174 1 29 "Average Difference" HN 61 0.470 -0.106 0.462 18226 175 1 30 "Average Difference" N 61 3.050 -0.859 2.951 18226 176 1 30 "Average Difference" HA 65 0.309 0.052 0.307 18226 177 1 30 "Average Difference" C 56 1.340 -0.790 1.092 18226 178 1 30 "Average Difference" CA 62 1.621 -0.503 1.553 18226 179 1 30 "Average Difference" CB 54 1.465 0.167 1.469 18226 180 1 30 "Average Difference" HN 61 0.426 -0.062 0.425 18226 181 1 31 "Average Difference" N 61 2.866 -0.714 2.799 18226 182 1 31 "Average Difference" HA 65 0.321 0.057 0.318 18226 183 1 31 "Average Difference" C 56 1.354 -0.695 1.172 18226 184 1 31 "Average Difference" CA 62 1.583 -0.478 1.521 18226 185 1 31 "Average Difference" CB 54 1.157 -0.019 1.168 18226 186 1 31 "Average Difference" HN 61 0.454 -0.119 0.442 18226 187 1 32 "Average Difference" N 61 2.776 -0.520 2.749 18226 188 1 32 "Average Difference" HA 65 0.285 0.088 0.273 18226 189 1 32 "Average Difference" C 56 1.211 -0.624 1.047 18226 190 1 32 "Average Difference" CA 62 1.500 -0.527 1.416 18226 191 1 32 "Average Difference" CB 54 1.046 0.131 1.047 18226 192 1 32 "Average Difference" HN 61 0.423 -0.148 0.400 18226 193 1 33 "Average Difference" N 61 2.714 -0.871 2.592 18226 194 1 33 "Average Difference" HA 65 0.286 0.017 0.288 18226 195 1 33 "Average Difference" C 56 1.251 -0.539 1.139 18226 196 1 33 "Average Difference" CA 62 1.566 -0.464 1.507 18226 197 1 33 "Average Difference" CB 54 1.228 -0.059 1.238 18226 198 1 33 "Average Difference" HN 61 0.466 -0.176 0.435 18226 199 1 34 "Average Difference" N 61 2.576 -0.853 2.450 18226 200 1 34 "Average Difference" HA 65 0.318 0.061 0.314 18226 201 1 34 "Average Difference" C 56 1.319 -0.750 1.096 18226 202 1 34 "Average Difference" CA 62 1.573 -0.481 1.510 18226 203 1 34 "Average Difference" CB 54 1.309 0.188 1.308 18226 204 1 34 "Average Difference" HN 61 0.435 -0.144 0.414 18226 205 1 35 "Average Difference" N 61 2.476 -0.620 2.417 18226 206 1 35 "Average Difference" HA 65 0.310 0.000 0.312 18226 207 1 35 "Average Difference" C 56 1.185 -0.532 1.069 18226 208 1 35 "Average Difference" CA 62 1.371 -0.358 1.334 18226 209 1 35 "Average Difference" CB 54 1.176 -0.034 1.187 18226 210 1 35 "Average Difference" HN 61 0.391 -0.073 0.387 18226 211 1 36 "Average Difference" N 61 2.620 -0.901 2.481 18226 212 1 36 "Average Difference" HA 65 0.301 0.037 0.301 18226 213 1 36 "Average Difference" C 56 1.284 -0.685 1.096 18226 214 1 36 "Average Difference" CA 62 1.701 -0.578 1.613 18226 215 1 36 "Average Difference" CB 54 1.063 0.036 1.072 18226 216 1 36 "Average Difference" HN 61 0.457 -0.158 0.433 18226 217 1 37 "Average Difference" N 61 2.666 -0.714 2.590 18226 218 1 37 "Average Difference" HA 65 0.305 0.052 0.303 18226 219 1 37 "Average Difference" C 56 1.283 -0.442 1.216 18226 220 1 37 "Average Difference" CA 62 1.591 -0.434 1.543 18226 221 1 37 "Average Difference" CB 54 1.291 -0.068 1.301 18226 222 1 37 "Average Difference" HN 61 0.423 -0.094 0.416 18226 223 1 38 "Average Difference" N 61 2.480 -0.346 2.476 18226 224 1 38 "Average Difference" HA 65 0.305 0.022 0.307 18226 225 1 38 "Average Difference" C 56 1.379 -0.662 1.221 18226 226 1 38 "Average Difference" CA 62 1.717 -0.504 1.655 18226 227 1 38 "Average Difference" CB 54 1.247 0.019 1.259 18226 228 1 38 "Average Difference" HN 61 0.425 -0.138 0.405 18226 229 1 39 "Average Difference" N 61 2.504 -0.521 2.470 18226 230 1 39 "Average Difference" HA 65 0.360 -0.005 0.363 18226 231 1 39 "Average Difference" C 56 1.447 -0.549 1.351 18226 232 1 39 "Average Difference" CA 62 1.576 -0.328 1.554 18226 233 1 39 "Average Difference" CB 54 1.203 0.192 1.198 18226 234 1 39 "Average Difference" HN 61 0.409 -0.152 0.382 18226 235 1 40 "Average Difference" N 61 2.904 -0.923 2.776 18226 236 1 40 "Average Difference" HA 65 0.399 0.031 0.401 18226 237 1 40 "Average Difference" C 56 1.415 -0.882 1.117 18226 238 1 40 "Average Difference" CA 62 1.503 -0.532 1.417 18226 239 1 40 "Average Difference" CB 54 1.400 0.093 1.411 18226 240 1 40 "Average Difference" HN 61 0.392 -0.041 0.393 18226 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 18226 _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 GLU N N 2 123.545 123.545 121.424 2.121 18226 2 1 . 1 1 2 2 GLU HA H 2 4.386 4.386 4.318 0.068 18226 3 1 . 1 1 2 2 GLU C C 2 175.742 175.742 175.893 -0.151 18226 4 1 . 1 1 2 2 GLU CA C 2 56.363 56.363 56.772 -0.409 18226 5 1 . 1 1 2 2 GLU CB C 2 29.755 29.755 29.896 -0.141 18226 6 1 . 1 1 2 2 GLU H H 2 8.765 8.765 8.638 0.127 18226 7 1 . 1 1 3 3 GLU N N 3 122.227 122.227 120.499 1.728 18226 8 1 . 1 1 3 3 GLU HA H 3 4.333 4.333 4.309 0.024 18226 9 1 . 1 1 3 3 GLU C C 3 176.636 176.636 176.684 -0.048 18226 10 1 . 1 1 3 3 GLU CA C 3 56.488 56.488 56.758 -0.270 18226 11 1 . 1 1 3 3 GLU CB C 3 29.757 29.757 29.827 -0.070 18226 12 1 . 1 1 3 3 GLU H H 3 8.550 8.550 8.510 0.040 18226 13 1 . 1 1 4 4 GLY N N 4 110.108 110.108 108.244 1.864 18226 14 1 . 1 1 4 4 GLY C C 4 174.548 174.548 174.238 0.310 18226 15 1 . 1 1 4 4 GLY CA C 4 45.475 45.475 44.997 0.478 18226 16 1 . 1 1 4 4 GLY H H 4 8.453 8.453 8.218 0.235 18226 17 1 . 1 1 5 5 GLY N N 5 108.466 108.466 109.077 -0.611 18226 18 1 . 1 1 5 5 GLY C C 5 173.790 173.790 173.774 0.016 18226 19 1 . 1 1 5 5 GLY CA C 5 45.364 45.364 45.292 0.072 18226 20 1 . 1 1 5 5 GLY H H 5 8.168 8.168 8.129 0.039 18226 21 1 . 1 1 6 6 ASP N N 6 119.764 119.764 120.373 -0.609 18226 22 1 . 1 1 6 6 ASP HA H 6 4.583 4.583 4.520 0.063 18226 23 1 . 1 1 6 6 ASP C C 6 175.811 175.811 175.613 0.198 18226 24 1 . 1 1 6 6 ASP CA C 6 53.992 53.992 54.210 -0.218 18226 25 1 . 1 1 6 6 ASP CB C 6 40.257 40.257 41.229 -0.972 18226 26 1 . 1 1 6 6 ASP H H 6 8.187 8.187 8.290 -0.103 18226 27 1 . 1 1 7 7 PHE N N 7 119.941 119.941 117.984 1.957 18226 28 1 . 1 1 7 7 PHE HA H 7 4.566 4.566 4.435 0.131 18226 29 1 . 1 1 7 7 PHE C C 7 175.636 175.636 174.141 1.495 18226 30 1 . 1 1 7 7 PHE CA C 7 58.071 58.071 58.049 0.022 18226 31 1 . 1 1 7 7 PHE CB C 7 39.319 39.319 38.644 0.675 18226 32 1 . 1 1 7 7 PHE H H 7 8.103 8.103 7.808 0.295 18226 33 1 . 1 1 8 8 ASP N N 8 120.418 120.418 119.685 0.733 18226 34 1 . 1 1 8 8 ASP HA H 8 4.537 4.537 4.674 -0.137 18226 35 1 . 1 1 8 8 ASP C C 8 175.548 175.548 174.978 0.570 18226 36 1 . 1 1 8 8 ASP CA C 8 54.373 54.373 54.168 0.205 18226 37 1 . 1 1 8 8 ASP CB C 8 40.386 40.386 41.073 -0.687 18226 38 1 . 1 1 8 8 ASP H H 8 8.177 8.177 8.248 -0.071 18226 39 1 . 1 1 9 9 ASN N N 9 118.260 118.260 117.852 0.408 18226 40 1 . 1 1 9 9 ASN HA H 9 4.587 4.587 4.702 -0.115 18226 41 1 . 1 1 9 9 ASN C C 9 174.782 174.782 174.686 0.096 18226 42 1 . 1 1 9 9 ASN CA C 9 53.397 53.397 53.421 -0.024 18226 43 1 . 1 1 9 9 ASN CB C 9 38.762 38.762 39.310 -0.548 18226 44 1 . 1 1 9 9 ASN H H 9 8.057 8.057 8.064 -0.007 18226 45 1 . 1 1 10 10 TYR N N 10 120.145 120.145 119.173 0.972 18226 46 1 . 1 1 10 10 TYR HA H 10 4.439 4.439 4.162 0.277 18226 47 1 . 1 1 10 10 TYR C C 10 175.520 175.520 174.575 0.946 18226 48 1 . 1 1 10 10 TYR CA C 10 58.369 58.369 58.906 -0.537 18226 49 1 . 1 1 10 10 TYR CB C 10 38.749 38.749 38.094 0.655 18226 50 1 . 1 1 10 10 TYR H H 10 7.951 7.951 8.259 -0.308 18226 51 1 . 1 1 11 11 TYR N N 11 121.223 121.223 117.806 3.417 18226 52 1 . 1 1 11 11 TYR HA H 11 4.499 4.499 4.318 0.181 18226 53 1 . 1 1 11 11 TYR C C 11 175.974 175.974 175.719 0.255 18226 54 1 . 1 1 11 11 TYR CA C 11 58.073 58.073 58.012 0.061 18226 55 1 . 1 1 11 11 TYR CB C 11 38.671 38.671 36.709 1.963 18226 56 1 . 1 1 11 11 TYR H H 11 7.971 7.971 7.861 0.110 18226 57 1 . 1 1 12 12 GLY N N 12 109.861 109.861 108.755 1.106 18226 58 1 . 1 1 12 12 GLY C C 12 173.775 173.775 173.594 0.181 18226 59 1 . 1 1 12 12 GLY CA C 12 45.380 45.380 45.590 -0.210 18226 60 1 . 1 1 12 12 GLY H H 12 7.769 7.769 8.189 -0.420 18226 61 1 . 1 1 13 13 ALA N N 13 123.378 123.378 122.281 1.097 18226 62 1 . 1 1 13 13 ALA HA H 13 4.302 4.302 4.364 -0.062 18226 63 1 . 1 1 13 13 ALA C C 13 177.509 177.509 175.811 1.698 18226 64 1 . 1 1 13 13 ALA CA C 13 52.627 52.627 52.323 0.304 18226 65 1 . 1 1 13 13 ALA CB C 13 19.444 19.444 19.355 0.089 18226 66 1 . 1 1 13 13 ALA H H 13 7.975 7.975 7.845 0.130 18226 67 1 . 1 1 14 14 ASP N N 14 118.494 118.494 118.998 -0.504 18226 68 1 . 1 1 14 14 ASP HA H 14 4.634 4.634 4.392 0.242 18226 69 1 . 1 1 14 14 ASP C C 14 175.747 175.747 175.091 0.656 18226 70 1 . 1 1 14 14 ASP CA C 14 54.002 54.002 54.633 -0.631 18226 71 1 . 1 1 14 14 ASP CB C 14 40.162 40.162 40.480 -0.318 18226 72 1 . 1 1 14 14 ASP H H 14 8.307 8.307 8.492 -0.185 18226 73 1 . 1 1 15 15 ASN N N 15 118.834 118.834 116.128 2.706 18226 74 1 . 1 1 15 15 ASN HA H 15 4.662 4.662 4.624 0.038 18226 75 1 . 1 1 15 15 ASN C C 15 175.258 175.258 175.246 0.012 18226 76 1 . 1 1 15 15 ASN CA C 15 53.515 53.515 53.474 0.041 18226 77 1 . 1 1 15 15 ASN CB C 15 38.757 38.757 38.205 0.552 18226 78 1 . 1 1 15 15 ASN H H 15 8.221 8.221 8.179 0.042 18226 79 1 . 1 1 16 16 GLN N N 16 120.413 120.413 120.453 -0.040 18226 80 1 . 1 1 16 16 GLN HA H 16 4.355 4.355 4.291 0.064 18226 81 1 . 1 1 16 16 GLN C C 16 176.096 176.096 175.800 0.296 18226 82 1 . 1 1 16 16 GLN CA C 16 56.240 56.240 56.883 -0.643 18226 83 1 . 1 1 16 16 GLN CB C 16 29.370 29.370 28.547 0.823 18226 84 1 . 1 1 16 16 GLN H H 16 8.295 8.295 8.490 -0.195 18226 85 1 . 1 1 17 17 SER N N 17 116.692 116.692 112.786 3.906 18226 86 1 . 1 1 17 17 SER HA H 17 4.428 4.428 4.403 0.025 18226 87 1 . 1 1 17 17 SER C C 17 174.523 174.523 173.694 0.829 18226 88 1 . 1 1 17 17 SER CA C 17 58.683 58.683 58.537 0.146 18226 89 1 . 1 1 17 17 SER CB C 17 63.794 63.794 63.449 0.345 18226 90 1 . 1 1 17 17 SER H H 17 8.267 8.267 7.986 0.281 18226 91 1 . 1 1 18 18 GLU N N 18 122.142 122.142 121.383 0.759 18226 92 1 . 1 1 18 18 GLU HA H 18 4.363 4.363 4.313 0.050 18226 93 1 . 1 1 18 18 GLU C C 18 175.937 175.937 175.954 -0.017 18226 94 1 . 1 1 18 18 GLU CA C 18 56.305 56.305 57.059 -0.754 18226 95 1 . 1 1 18 18 GLU CB C 18 29.506 29.506 30.113 -0.607 18226 96 1 . 1 1 18 18 GLU H H 18 8.330 8.330 8.335 -0.005 18226 97 1 . 1 1 19 19 CYS N N 19 120.077 120.077 118.791 1.286 18226 98 1 . 1 1 19 19 CYS HA H 19 4.432 4.432 4.333 0.099 18226 99 1 . 1 1 19 19 CYS C C 19 174.442 174.442 174.525 -0.083 18226 100 1 . 1 1 19 19 CYS CA C 19 58.613 58.613 59.262 -0.649 18226 101 1 . 1 1 19 19 CYS CB C 19 27.999 27.999 28.047 -0.048 18226 102 1 . 1 1 19 19 CYS H H 19 8.276 8.276 8.416 -0.140 18226 103 1 . 1 1 20 20 GLU N N 20 123.369 123.369 120.520 2.849 18226 104 1 . 1 1 20 20 GLU HA H 20 4.303 4.303 4.107 0.196 18226 105 1 . 1 1 20 20 GLU C C 20 175.858 175.858 175.838 0.020 18226 106 1 . 1 1 20 20 GLU CA C 20 56.457 56.457 56.981 -0.524 18226 107 1 . 1 1 20 20 GLU CB C 20 29.150 29.150 28.991 0.159 18226 108 1 . 1 1 20 20 GLU H H 20 8.400 8.400 8.445 -0.045 18226 109 1 . 1 1 21 21 TYR N N 21 119.980 119.980 118.568 1.412 18226 110 1 . 1 1 21 21 TYR HA H 21 4.544 4.544 4.510 0.034 18226 111 1 . 1 1 21 21 TYR C C 21 175.669 175.669 175.591 0.078 18226 112 1 . 1 1 21 21 TYR CA C 21 58.103 58.103 59.291 -1.188 18226 113 1 . 1 1 21 21 TYR CB C 21 38.677 38.677 38.728 -0.051 18226 114 1 . 1 1 21 21 TYR H H 21 7.991 7.991 8.087 -0.096 18226 115 1 . 1 1 22 22 THR N N 22 113.984 113.984 110.732 3.252 18226 116 1 . 1 1 22 22 THR HA H 22 4.164 4.164 4.418 -0.254 18226 117 1 . 1 1 22 22 THR C C 22 174.259 174.259 173.771 0.488 18226 118 1 . 1 1 22 22 THR CA C 22 62.381 62.381 62.902 -0.521 18226 119 1 . 1 1 22 22 THR CB C 22 69.551 69.551 69.075 0.476 18226 120 1 . 1 1 22 22 THR H H 22 7.821 7.821 8.204 -0.383 18226 121 1 . 1 1 23 23 ASP N N 23 121.930 121.930 120.597 1.333 18226 122 1 . 1 1 23 23 ASP HA H 23 4.671 4.671 4.829 -0.158 18226 123 1 . 1 1 23 23 ASP C C 23 176.164 176.164 176.514 -0.350 18226 124 1 . 1 1 23 23 ASP CA C 23 53.681 53.681 54.415 -0.734 18226 125 1 . 1 1 23 23 ASP CB C 23 39.606 39.606 41.731 -2.125 18226 126 1 . 1 1 23 23 ASP H H 23 8.106 8.106 8.344 -0.238 18226 127 1 . 1 1 24 24 TRP N N 24 121.947 121.947 119.202 2.745 18226 128 1 . 1 1 24 24 TRP HA H 24 4.482 4.482 4.739 -0.257 18226 129 1 . 1 1 24 24 TRP C C 24 176.496 176.496 175.437 1.059 18226 130 1 . 1 1 24 24 TRP CA C 24 58.238 58.238 57.819 0.419 18226 131 1 . 1 1 24 24 TRP CB C 24 29.189 29.189 29.086 0.103 18226 132 1 . 1 1 24 24 TRP H H 24 7.991 7.991 8.145 -0.154 18226 133 1 . 1 1 25 25 LYS N N 25 119.673 119.673 116.075 3.598 18226 134 1 . 1 1 25 25 LYS HA H 25 3.989 3.989 4.078 -0.089 18226 135 1 . 1 1 25 25 LYS C C 25 176.770 176.770 175.572 1.198 18226 136 1 . 1 1 25 25 LYS CA C 25 57.467 57.467 55.429 2.038 18226 137 1 . 1 1 25 25 LYS CB C 25 31.953 31.953 31.302 0.651 18226 138 1 . 1 1 25 25 LYS H H 25 7.588 7.588 7.250 0.338 18226 139 1 . 1 1 26 26 SER N N 26 114.157 114.157 115.179 -1.022 18226 140 1 . 1 1 26 26 SER HA H 26 4.462 4.462 4.354 0.108 18226 141 1 . 1 1 26 26 SER C C 26 175.126 175.126 174.669 0.457 18226 142 1 . 1 1 26 26 SER CA C 26 58.673 58.673 58.945 -0.272 18226 143 1 . 1 1 26 26 SER CB C 26 63.801 63.801 63.380 0.421 18226 144 1 . 1 1 26 26 SER H H 26 7.823 7.823 7.702 0.121 18226 145 1 . 1 1 27 27 SER N N 27 117.353 117.353 117.306 0.047 18226 146 1 . 1 1 27 27 SER HA H 27 4.288 4.288 4.445 -0.157 18226 147 1 . 1 1 27 27 SER C C 27 175.598 175.598 174.581 1.017 18226 148 1 . 1 1 27 27 SER CA C 27 60.216 60.216 58.997 1.219 18226 149 1 . 1 1 27 27 SER CB C 27 63.684 63.684 63.022 0.662 18226 150 1 . 1 1 27 27 SER H H 27 8.178 8.178 8.249 -0.071 18226 151 1 . 1 1 28 28 GLY N N 28 110.249 110.249 107.465 2.784 18226 152 1 . 1 1 28 28 GLY C C 28 174.667 174.667 173.323 1.344 18226 153 1 . 1 1 28 28 GLY CA C 28 46.276 46.276 45.411 0.865 18226 154 1 . 1 1 28 28 GLY H H 28 8.359 8.359 7.979 0.380 18226 155 1 . 1 1 29 29 ALA N N 29 121.959 121.959 121.720 0.239 18226 156 1 . 1 1 29 29 ALA HA H 29 4.328 4.328 4.480 -0.152 18226 157 1 . 1 1 29 29 ALA C C 29 177.873 177.873 176.714 1.159 18226 158 1 . 1 1 29 29 ALA CA C 29 53.261 53.261 52.959 0.302 18226 159 1 . 1 1 29 29 ALA CB C 29 19.637 19.637 19.527 0.110 18226 160 1 . 1 1 29 29 ALA H H 29 7.931 7.931 7.846 0.085 18226 161 1 . 1 1 30 30 LEU N N 30 117.460 117.460 116.248 1.212 18226 162 1 . 1 1 30 30 LEU HA H 30 4.208 4.208 4.486 -0.278 18226 163 1 . 1 1 30 30 LEU CA C 30 57.392 57.392 55.890 1.502 18226 164 1 . 1 1 30 30 LEU CB C 30 42.605 42.605 42.509 0.096 18226 165 1 . 1 1 30 30 LEU H H 30 7.924 7.924 7.803 0.121 18226 166 1 . 1 1 31 31 ILE N N 31 117.379 117.379 120.665 -3.286 18226 167 1 . 1 1 31 31 ILE HA H 31 3.923 3.923 4.236 -0.313 18226 168 1 . 1 1 31 31 ILE CA C 31 66.011 66.011 63.560 2.451 18226 169 1 . 1 1 31 31 ILE CB C 31 35.223 35.223 36.020 -0.797 18226 170 1 . 1 1 31 31 ILE H H 31 8.100 8.100 8.110 -0.010 18226 171 1 . 1 1 32 32 PRO HA H 32 4.318 4.318 4.568 -0.250 18226 172 1 . 1 1 32 32 PRO C C 32 178.706 178.706 176.021 2.685 18226 173 1 . 1 1 32 32 PRO CA C 32 66.031 66.031 63.387 2.644 18226 174 1 . 1 1 32 32 PRO CB C 32 31.267 31.267 30.533 0.734 18226 175 1 . 1 1 33 33 ALA N N 33 119.040 119.040 120.803 -1.763 18226 176 1 . 1 1 33 33 ALA HA H 33 4.195 4.195 4.463 -0.268 18226 177 1 . 1 1 33 33 ALA C C 33 179.052 179.052 177.341 1.711 18226 178 1 . 1 1 33 33 ALA CA C 33 55.393 55.393 52.730 2.663 18226 179 1 . 1 1 33 33 ALA CB C 33 18.531 18.531 19.912 -1.381 18226 180 1 . 1 1 33 33 ALA H H 33 7.462 7.462 7.954 -0.492 18226 181 1 . 1 1 34 34 ILE N N 34 118.037 118.037 114.103 3.934 18226 182 1 . 1 1 34 34 ILE HA H 34 3.722 3.722 4.270 -0.548 18226 183 1 . 1 1 34 34 ILE C C 34 177.827 177.827 176.780 1.047 18226 184 1 . 1 1 34 34 ILE CA C 34 65.023 65.023 62.237 2.786 18226 185 1 . 1 1 34 34 ILE CB C 34 37.341 37.341 39.373 -2.032 18226 186 1 . 1 1 34 34 ILE H H 34 8.176 8.176 7.449 0.727 18226 187 1 . 1 1 35 35 TYR N N 35 118.783 118.783 120.543 -1.760 18226 188 1 . 1 1 35 35 TYR HA H 35 4.145 4.145 4.380 -0.235 18226 189 1 . 1 1 35 35 TYR C C 35 178.062 178.062 176.570 1.492 18226 190 1 . 1 1 35 35 TYR CA C 35 61.548 61.548 61.087 0.461 18226 191 1 . 1 1 35 35 TYR CB C 35 37.742 37.742 38.059 -0.317 18226 192 1 . 1 1 35 35 TYR H H 35 8.306 8.306 7.828 0.478 18226 193 1 . 1 1 36 36 MET N N 36 118.068 118.068 116.923 1.145 18226 194 1 . 1 1 36 36 MET HA H 36 4.317 4.317 4.528 -0.211 18226 195 1 . 1 1 36 36 MET C C 36 178.183 178.183 177.252 0.931 18226 196 1 . 1 1 36 36 MET CA C 36 58.533 58.533 56.884 1.649 18226 197 1 . 1 1 36 36 MET CB C 36 32.288 32.288 32.551 -0.263 18226 198 1 . 1 1 36 36 MET H H 36 8.090 8.090 7.874 0.216 18226 199 1 . 1 1 37 37 LEU N N 37 120.316 120.316 118.990 1.326 18226 200 1 . 1 1 37 37 LEU HA H 37 4.115 4.115 4.200 -0.085 18226 201 1 . 1 1 37 37 LEU C C 37 178.353 178.353 177.532 0.821 18226 202 1 . 1 1 37 37 LEU CA C 37 58.330 58.330 56.756 1.574 18226 203 1 . 1 1 37 37 LEU CB C 37 41.914 41.914 41.213 0.701 18226 204 1 . 1 1 37 37 LEU H H 37 8.106 8.106 8.167 -0.061 18226 205 1 . 1 1 38 38 VAL N N 38 118.385 118.385 116.583 1.802 18226 206 1 . 1 1 38 38 VAL HA H 38 3.529 3.529 4.003 -0.474 18226 207 1 . 1 1 38 38 VAL C C 38 178.216 178.216 177.008 1.208 18226 208 1 . 1 1 38 38 VAL CA C 38 67.042 67.042 63.990 3.052 18226 209 1 . 1 1 38 38 VAL CB C 38 31.625 31.625 32.493 -0.868 18226 210 1 . 1 1 38 38 VAL H H 38 8.305 8.305 7.332 0.973 18226 211 1 . 1 1 39 39 PHE N N 39 120.216 120.216 121.298 -1.082 18226 212 1 . 1 1 39 39 PHE HA H 39 4.261 4.261 4.222 0.039 18226 213 1 . 1 1 39 39 PHE C C 39 178.597 178.597 175.887 2.710 18226 214 1 . 1 1 39 39 PHE CA C 39 61.320 61.320 61.571 -0.251 18226 215 1 . 1 1 39 39 PHE CB C 39 38.889 38.889 39.329 -0.440 18226 216 1 . 1 1 39 39 PHE H H 39 8.196 8.196 8.067 0.129 18226 217 1 . 1 1 40 40 LEU N N 40 120.772 120.772 117.621 3.151 18226 218 1 . 1 1 40 40 LEU HA H 40 4.050 4.050 4.405 -0.355 18226 219 1 . 1 1 40 40 LEU C C 40 179.666 179.666 175.775 3.891 18226 220 1 . 1 1 40 40 LEU CA C 40 57.906 57.906 54.599 3.307 18226 221 1 . 1 1 40 40 LEU CB C 40 42.340 42.340 41.485 0.855 18226 222 1 . 1 1 40 40 LEU H H 40 8.452 8.452 7.733 0.719 18226 223 1 . 1 1 41 41 LEU N N 41 119.185 119.185 119.619 -0.434 18226 224 1 . 1 1 41 41 LEU HA H 41 4.099 4.099 4.537 -0.438 18226 225 1 . 1 1 41 41 LEU C C 41 178.878 178.878 177.068 1.810 18226 226 1 . 1 1 41 41 LEU CA C 41 57.386 57.386 56.039 1.347 18226 227 1 . 1 1 41 41 LEU CB C 41 41.855 41.855 43.503 -1.648 18226 228 1 . 1 1 41 41 LEU H H 41 8.435 8.435 7.753 0.682 18226 229 1 . 1 1 42 42 GLY N N 42 105.718 105.718 106.766 -1.048 18226 230 1 . 1 1 42 42 GLY C C 42 174.908 174.908 174.298 0.610 18226 231 1 . 1 1 42 42 GLY CA C 42 46.642 46.642 46.544 0.098 18226 232 1 . 1 1 42 42 GLY H H 42 8.208 8.208 8.101 0.107 18226 233 1 . 1 1 43 43 THR N N 43 111.959 111.959 112.982 -1.023 18226 234 1 . 1 1 43 43 THR HA H 43 4.348 4.348 4.299 0.049 18226 235 1 . 1 1 43 43 THR C C 43 175.665 175.665 174.431 1.234 18226 236 1 . 1 1 43 43 THR CA C 43 63.097 63.097 62.238 0.859 18226 237 1 . 1 1 43 43 THR CB C 43 69.867 69.867 69.299 0.568 18226 238 1 . 1 1 43 43 THR H H 43 7.789 7.789 7.321 0.468 18226 239 1 . 1 1 44 44 THR N N 44 113.271 113.271 116.196 -2.925 18226 240 1 . 1 1 44 44 THR HA H 44 4.308 4.308 3.909 0.399 18226 241 1 . 1 1 44 44 THR C C 44 175.754 175.754 175.459 0.295 18226 242 1 . 1 1 44 44 THR CA C 44 63.194 63.194 63.788 -0.594 18226 243 1 . 1 1 44 44 THR CB C 44 70.171 70.171 67.851 2.320 18226 244 1 . 1 1 44 44 THR H H 44 7.833 7.833 8.258 -0.425 18226 245 1 . 1 1 45 45 GLY N N 45 109.879 109.879 109.011 0.868 18226 246 1 . 1 1 45 45 GLY C C 45 175.221 175.221 174.705 0.516 18226 247 1 . 1 1 45 45 GLY CA C 45 46.539 46.539 45.367 1.172 18226 248 1 . 1 1 45 45 GLY H H 45 8.259 8.259 8.013 0.246 18226 249 1 . 1 1 46 46 ASN N N 46 117.998 117.998 118.941 -0.943 18226 250 1 . 1 1 46 46 ASN HA H 46 4.612 4.612 4.755 -0.143 18226 251 1 . 1 1 46 46 ASN C C 46 176.215 176.215 176.131 0.084 18226 252 1 . 1 1 46 46 ASN CA C 46 54.840 54.840 53.871 0.969 18226 253 1 . 1 1 46 46 ASN CB C 46 38.566 38.566 38.991 -0.425 18226 254 1 . 1 1 46 46 ASN H H 46 8.235 8.235 8.466 -0.231 18226 255 1 . 1 1 47 47 GLY N N 47 106.990 106.990 106.964 0.026 18226 256 1 . 1 1 47 47 GLY C C 47 174.659 174.659 174.421 0.238 18226 257 1 . 1 1 47 47 GLY CA C 47 46.979 46.979 45.597 1.382 18226 258 1 . 1 1 47 47 GLY H H 47 8.425 8.425 7.999 0.426 18226 259 1 . 1 1 48 48 LEU N N 48 120.699 120.699 117.594 3.105 18226 260 1 . 1 1 48 48 LEU HA H 48 4.300 4.300 4.759 -0.459 18226 261 1 . 1 1 48 48 LEU C C 48 179.482 179.482 176.461 3.021 18226 262 1 . 1 1 48 48 LEU CA C 48 57.445 57.445 55.192 2.253 18226 263 1 . 1 1 48 48 LEU CB C 48 41.566 41.566 42.057 -0.491 18226 264 1 . 1 1 48 48 LEU H H 48 7.956 7.956 7.708 0.248 18226 265 1 . 1 1 49 49 VAL N N 49 120.101 120.101 117.983 2.119 18226 266 1 . 1 1 49 49 VAL HA H 49 3.879 3.879 4.071 -0.192 18226 267 1 . 1 1 49 49 VAL C C 49 177.535 177.535 176.595 0.940 18226 268 1 . 1 1 49 49 VAL CA C 49 65.862 65.862 64.065 1.797 18226 269 1 . 1 1 49 49 VAL CB C 49 31.779 31.779 32.894 -1.115 18226 270 1 . 1 1 49 49 VAL H H 49 7.919 7.919 7.764 0.155 18226 271 1 . 1 1 50 50 LEU N N 50 119.268 119.268 118.359 0.909 18226 272 1 . 1 1 50 50 LEU HA H 50 4.043 4.043 4.522 -0.479 18226 273 1 . 1 1 50 50 LEU CA C 50 57.845 57.845 56.934 0.911 18226 274 1 . 1 1 50 50 LEU CB C 50 41.877 41.877 42.588 -0.711 18226 275 1 . 1 1 50 50 LEU H H 50 7.731 7.731 7.744 -0.013 18226 276 1 . 1 1 51 51 TRP N N 51 118.033 118.033 121.165 -3.132 18226 277 1 . 1 1 51 51 TRP HA H 51 4.592 4.592 4.470 0.122 18226 278 1 . 1 1 51 51 TRP C C 51 177.302 177.302 176.908 0.394 18226 279 1 . 1 1 51 51 TRP CA C 51 59.789 59.789 59.810 -0.021 18226 280 1 . 1 1 51 51 TRP CB C 51 30.207 30.207 29.147 1.060 18226 281 1 . 1 1 51 51 TRP H H 51 8.070 8.070 8.051 0.019 18226 282 1 . 1 1 52 52 THR N N 52 113.014 113.014 114.068 -1.054 18226 283 1 . 1 1 52 52 THR HA H 52 3.746 3.746 3.916 -0.170 18226 284 1 . 1 1 52 52 THR C C 52 176.361 176.361 175.486 0.875 18226 285 1 . 1 1 52 52 THR CA C 52 66.443 66.443 64.256 2.187 18226 286 1 . 1 1 52 52 THR CB C 52 69.017 69.017 68.509 0.508 18226 287 1 . 1 1 52 52 THR H H 52 8.101 8.101 7.892 0.209 18226 288 1 . 1 1 53 53 VAL N N 53 120.231 120.231 120.532 -0.301 18226 289 1 . 1 1 53 53 VAL HA H 53 3.678 3.678 3.761 -0.083 18226 290 1 . 1 1 53 53 VAL C C 53 177.482 177.482 176.782 0.700 18226 291 1 . 1 1 53 53 VAL CA C 53 66.158 66.158 65.339 0.819 18226 292 1 . 1 1 53 53 VAL CB C 53 31.767 31.767 31.961 -0.194 18226 293 1 . 1 1 53 53 VAL H H 53 7.905 7.905 7.814 0.091 18226 294 1 . 1 1 54 54 PHE N N 54 118.609 118.609 117.353 1.256 18226 295 1 . 1 1 54 54 PHE HA H 54 4.233 4.233 4.376 -0.143 18226 296 1 . 1 1 54 54 PHE CA C 54 60.666 60.666 58.819 1.847 18226 297 1 . 1 1 54 54 PHE CB C 54 39.258 39.258 38.737 0.520 18226 298 1 . 1 1 54 54 PHE H H 54 8.025 8.025 7.713 0.312 18226 299 1 . 1 1 55 55 ARG N N 55 117.305 117.305 119.619 -2.314 18226 300 1 . 1 1 55 55 ARG HA H 55 3.808 3.808 4.014 -0.206 18226 301 1 . 1 1 55 55 ARG CA C 55 57.710 57.710 57.369 0.341 18226 302 1 . 1 1 55 55 ARG CB C 55 29.663 29.663 30.895 -1.233 18226 303 1 . 1 1 55 55 ARG H H 55 8.025 8.025 7.653 0.372 18226 304 1 . 1 1 56 56 LYS N N 56 118.321 118.321 119.561 -1.240 18226 305 1 . 1 1 56 56 LYS HA H 56 4.170 4.170 3.981 0.189 18226 306 1 . 1 1 56 56 LYS CA C 56 57.440 57.440 58.700 -1.260 18226 307 1 . 1 1 56 56 LYS CB C 56 32.929 32.929 31.866 1.063 18226 308 1 . 1 1 56 56 LYS H H 56 7.717 7.717 8.089 -0.372 18226 309 1 . 1 1 57 57 LYS N N 57 118.349 118.349 117.011 1.338 18226 310 1 . 1 1 57 57 LYS HA H 57 4.289 4.289 4.089 0.200 18226 311 1 . 1 1 57 57 LYS C C 57 176.891 176.891 176.911 -0.020 18226 312 1 . 1 1 57 57 LYS CA C 57 56.373 56.373 56.982 -0.609 18226 313 1 . 1 1 57 57 LYS CB C 57 32.864 32.864 32.433 0.431 18226 314 1 . 1 1 57 57 LYS H H 57 7.872 7.872 7.732 0.140 18226 315 1 . 1 1 58 58 GLY N N 58 107.442 107.442 106.500 0.942 18226 316 1 . 1 1 58 58 GLY C C 58 173.263 173.263 173.913 -0.650 18226 317 1 . 1 1 58 58 GLY CA C 58 45.557 45.557 44.875 0.682 18226 318 1 . 1 1 58 58 GLY H H 58 8.060 8.060 7.663 0.397 18226 319 1 . 1 1 59 59 HIS N N 59 116.928 116.928 120.712 -3.784 18226 320 1 . 1 1 59 59 HIS HA H 59 4.668 4.668 4.079 0.589 18226 321 1 . 1 1 59 59 HIS C C 59 173.935 173.935 174.923 -0.988 18226 322 1 . 1 1 59 59 HIS CA C 59 55.085 55.085 58.153 -3.068 18226 323 1 . 1 1 59 59 HIS CB C 59 29.223 29.223 29.239 -0.016 18226 324 1 . 1 1 59 59 HIS H H 59 8.076 8.076 8.468 -0.392 18226 325 1 . 1 1 60 60 HIS N N 60 119.187 119.187 116.277 2.910 18226 326 1 . 1 1 60 60 HIS HA H 60 4.671 4.671 4.359 0.312 18226 327 1 . 1 1 60 60 HIS C C 60 173.926 173.926 174.615 -0.689 18226 328 1 . 1 1 60 60 HIS CA C 60 55.429 55.429 56.407 -0.978 18226 329 1 . 1 1 60 60 HIS CB C 60 29.157 29.157 30.368 -1.211 18226 330 1 . 1 1 60 60 HIS H H 60 8.547 8.547 7.994 0.553 18226 331 1 . 1 1 61 61 HIS N N 61 120.017 120.017 117.367 2.650 18226 332 1 . 1 1 61 61 HIS HA H 61 4.667 4.667 4.444 0.223 18226 333 1 . 1 1 61 61 HIS C C 61 173.994 173.994 174.159 -0.165 18226 334 1 . 1 1 61 61 HIS CA C 61 55.433 55.433 55.979 -0.546 18226 335 1 . 1 1 61 61 HIS CB C 61 29.201 29.201 29.305 -0.104 18226 336 1 . 1 1 61 61 HIS H H 61 8.662 8.662 7.952 0.710 18226 337 1 . 1 1 62 62 HIS N N 62 120.463 120.463 122.482 -2.019 18226 338 1 . 1 1 62 62 HIS HA H 62 4.657 4.657 4.479 0.177 18226 339 1 . 1 1 62 62 HIS C C 62 173.939 173.939 174.665 -0.726 18226 340 1 . 1 1 62 62 HIS CA C 62 55.376 55.376 56.505 -1.129 18226 341 1 . 1 1 62 62 HIS CB C 62 29.291 29.291 29.858 -0.567 18226 342 1 . 1 1 62 62 HIS H H 62 8.729 8.729 8.450 0.279 18226 343 1 . 1 1 63 63 HIS N N 63 120.370 120.370 119.896 0.474 18226 344 1 . 1 1 63 63 HIS HA H 63 4.658 4.658 4.576 0.082 18226 345 1 . 1 1 63 63 HIS C C 63 173.564 173.564 174.587 -1.023 18226 346 1 . 1 1 63 63 HIS CA C 63 55.608 55.608 55.546 0.062 18226 347 1 . 1 1 63 63 HIS CB C 63 29.365 29.365 29.681 -0.317 18226 348 1 . 1 1 63 63 HIS H H 63 8.619 8.619 8.359 0.260 18226 stop_ save_